data_r5f2tsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-03-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5f2t 
_cell.length_a      93.6000 
_cell.length_b      71.0900 
_cell.length_c      76.2500 
_cell.angle_alpha   90.0000 
_cell.angle_beta    91.9500 
_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   . 
#
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.060 
_diffrn_reflns.pdbx_d_res_low    56.601 
_diffrn_reflns.limit_h_max       44 
_diffrn_reflns.limit_h_min       -43 
_diffrn_reflns.limit_k_max       33 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       36 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            30533 
_diffrn_reflns.pdbx_number_obs   30533 
# 
_entry.id   5f2t 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5f2t 
_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 -43 1  1  o 86.96397 41.77109 -0.1693960     4.970016  7.265161       7.348932  -6.435791      6.746921  112.4061 53.07047 81.28889 40.76738 31.11720       66.92125 
1 1 1 -43 1  2  o 79.57600 39.22911 -3.141382      5.249255  -10.04459      7.065575  5.362664       7.842143  76.99860 38.97339 105.4036 51.07911 -28.40497      64.24951 
1 1 1 -43 1  3  o 74.17341 36.66706 -3.782290      4.698442  -4.726516      6.532750  -2.770512      6.762401  81.51879 40.76984 85.74249 42.65908 -4.223701      59.00828 
1 1 1 -43 1  4  o 84.05824 40.45582 0.1205065      4.718267  -0.4854341     6.730628  0.7060048      6.616120  88.66226 43.84002 90.86785 44.64737 -2.205589      62.57264 
1 1 1 -43 1  5  o 96.43060 44.01628 3.837637       4.437324  2.077586       6.735513  5.187277       5.898169  92.32180 45.29815 100.4817 47.47218 -8.159889      65.61654 
1 1 1 -43 3  1  o 118.5942 51.38359 7.456071       5.289865  11.21284       7.759707  4.194412       7.230315  122.8046 56.83261 103.4818 49.87127 19.32285       75.61143 
1 1 1 -43 3  2  o 102.0644 46.66610 4.218060       5.014042  5.546968       7.519200  3.153984       6.728377  105.3956 50.80929 99.23817 47.89523 6.157448       69.82504 
1 1 1 -43 3  3  o 82.07980 39.97892 -1.160435      4.970407  -7.984543      7.791341  3.522593       6.454352  81.27878 41.11654 98.56973 47.41004 -17.29095      62.75573 
1 1 1 -43 3  4  o 124.9406 51.40565 8.984214       4.863579  0.3962545      7.072626  16.68847       6.698861  90.65747 44.84695 147.7487 60.50606 -57.09125      75.31422 
1 1 1 -43 3  5  o 118.9689 52.60458 9.890013       5.799020  0.000000       0.000000  9.890013       5.799020  ?        ?        118.9689 52.60458 0.000000       52.60458 
1 1 1 -43 5  1  o 107.0507 48.56425 5.344793       5.297176  -1.184304      7.845690  10.81451       7.181033  92.35728 45.94994 122.5600 55.96314 -30.20268      72.41043 
1 1 1 -43 5  2  o 125.0910 52.39639 8.986761       5.180809  13.95363       8.215505  5.707491       6.675466  125.3513 58.17556 105.2838 49.96556 20.06748       76.68737 
1 1 1 -43 5  3  o 99.65393 45.91998 4.194686       4.985863  -1.815398      7.566002  8.807967       6.628741  88.41144 44.16601 113.6568 52.57404 -25.24536      68.66342 
1 1 1 -43 5  4  o 131.8839 53.55653 10.84721       5.193282  0.000000       0.000000  10.84721       5.193282  ?        ?        131.8839 53.55653 0.000000       53.55653 
1 1 1 -43 7  1  o 91.95735 45.18510 0.4934602      6.779294  0.000000       0.000000  0.4934602      6.779294  ?        ?        91.95735 45.18510 0.000000       45.18510 
1 1 1 -43 7  2  o 129.0629 57.15751 13.09453       6.872532  0.000000       0.000000  13.09453       6.872532  ?        ?        129.0629 57.15751 0.000000       57.15751 
1 1 1 -43 7  3  o 92.95870 44.62216 2.603448       5.651751  0.000000       0.000000  2.603448       5.651751  ?        ?        92.95870 44.62216 0.000000       44.62216 
1 1 1 -43 7  4  o 160.1067 58.24832 16.45363       5.680710  0.000000       0.000000  16.45363       5.680710  ?        ?        160.1067 58.24832 0.000000       58.24832 
1 1 1 -43 7  5  o 62.29306 31.44840 -7.398931      4.394735  0.000000       0.000000  -7.398931      4.394735  ?        ?        62.29306 31.44840 0.000000       31.44840 
1 1 1 -43 9  1  o 91.74994 44.88522 1.443520       6.466756  0.000000       0.000000  1.443520       6.466756  ?        ?        91.74994 44.88522 0.000000       44.88522 
1 1 1 -43 9  2  o 103.3927 47.11970 5.552914       5.059809  0.000000       0.000000  5.552914       5.059809  ?        ?        103.3927 47.11970 0.000000       47.11970 
1 1 1 -43 9  3  o 84.07403 40.30531 0.9524376      4.578249  0.000000       0.000000  0.9524376      4.578249  ?        ?        84.07403 40.30531 0.000000       40.30531 
1 1 1 -43 9  4  o 93.09930 44.32803 3.796077       5.339155  0.000000       0.000000  3.796077       5.339155  ?        ?        93.09930 44.32803 0.000000       44.32803 
1 1 1 -43 9  5  o 114.6765 50.56326 9.631392       5.320634  0.000000       0.000000  9.631392       5.320634  ?        ?        114.6765 50.56326 0.000000       50.56326 
1 1 1 -43 11 1  o 217.1333 60.15504 25.93044       6.355824  0.000000       0.000000  25.93044       6.355824  ?        ?        217.1333 60.15504 0.000000       60.15504 
1 1 1 -43 11 2  o 102.2684 47.90009 6.465518       5.779646  0.000000       0.000000  6.465518       5.779646  ?        ?        102.2684 47.90009 0.000000       47.90009 
1 1 1 -43 11 3  o 84.13580 41.00164 1.024970       5.247340  0.000000       0.000000  1.024970       5.247340  ?        ?        84.13580 41.00164 0.000000       41.00164 
1 1 1 -42 0  1  o 67.07096 48.20162 -10.52022      7.358794  -10.52022      7.358794  -10.52022      7.358794  67.07096 48.20162 67.07096 48.20162 0.000000       0.000000 
1 1 1 -42 0  2  o 152.7657 80.75498 10.24376       7.763772  10.24376       7.763772  10.24376       7.763772  152.7657 80.75498 152.7657 80.75498 0.000000       0.000000 
1 1 1 -42 0  3  o 162.9959 82.10802 11.53389       7.774072  11.53389       7.774072  11.53389       7.774072  162.9959 82.10802 162.9959 82.10802 0.000000       0.000000 
1 1 1 -42 0  4  o 120.2556 71.28149 5.633175       6.989028  5.633175       6.989028  5.633175       6.989028  120.2556 71.28149 120.2556 71.28149 0.000000       0.000000 
1 1 1 -42 0  5  o 194.5950 75.61845 13.92985       6.593338  13.92985       6.593338  13.92985       6.593338  194.5950 75.61845 194.5950 75.61845 0.000000       0.000000 
1 1 1 -42 0  6  o 548.7443 34.05841 74.76219       8.713905  74.76219       8.713905  74.76219       8.713905  548.7443 34.05841 548.7443 34.05841 0.000000       0.000000 
1 1 1 -42 0  7  o 253.5077 52.06490 18.16588       5.485862  18.16588       5.485862  18.16588       5.485862  253.5077 52.06490 253.5077 52.06490 0.000000       0.000000 
1 1 1 -42 0  8  o 138.4234 65.71790 7.645660       4.870788  7.645660       4.870788  7.645660       4.870788  138.4234 65.71790 138.4234 65.71790 0.000000       0.000000 
1 1 1 -42 0  9  o 288.9630 42.55837 22.21165       5.416810  22.21165       5.416810  22.21165       5.416810  288.9630 42.55837 288.9630 42.55837 0.000000       0.000000 
1 1 1 -42 2  1  f 71.12086 35.66206 -8.653029      5.152067  -14.33413      7.317315  -3.067777      7.255327  76.98544 39.03967 93.86033 46.24158 -16.87489      60.51759 
1 1 1 -42 2  2  o 150.2752 56.76673 11.27409       5.487772  3.159929       7.659281  19.83353       7.866636  107.8577 51.81969 173.9864 67.39639 -66.12876      85.01501 
1 1 1 -42 2  3  o 122.4986 52.58747 7.207923       5.441105  4.007135       8.390998  9.530322       7.147490  108.9726 52.81566 126.8328 57.07755 -17.86015      77.76464 
1 1 1 -42 2  4  o 101.8268 46.35762 3.290952       4.881285  5.178360       7.278158  1.747919       6.580763  109.7692 52.11709 99.55461 47.88090 10.21460       70.77267 
1 1 1 -42 2  5  o 103.5283 45.84077 4.002931       4.418564  1.435494       6.941252  5.752081       5.729299  97.83833 47.56160 110.7790 50.35202 -12.94071      69.26350 
1 1 1 -42 2  6  o 362.3545 31.72937 39.76404       5.353849  28.90904       8.132289  48.06778       7.112703  204.6469 70.12228 371.1835 41.44332 -166.5366      81.45357 
1 1 1 -42 2  7  o 139.9707 47.53376 8.723063       3.736519  9.675982       5.496396  7.904281       5.094887  125.5634 53.34939 118.5343 50.88631 7.029106       73.72635 
1 1 1 -42 2  8  o 93.10510 40.54492 3.134804       3.327126  0.9206303      5.098496  4.777051       4.390921  86.78712 41.83854 101.5998 45.30099 -14.81264      61.66557 
1 1 1 -42 2  9  o 105.2980 41.34237 4.788302       2.991389  6.489299       4.579764  3.522593       3.950558  107.2769 47.11847 93.18729 42.13861 14.08965       63.21244 
1 1 1 -42 4  1  o 118.0208 55.13944 6.563615       7.577941  6.563615       7.577941  0.000000       0.000000  118.0208 55.13944 ?        ?        0.000000       55.13944 
1 1 1 -42 4  2  o 76.61672 37.85695 -5.010485      4.987533  -2.134364      7.501737  -7.288942      6.676960  95.13526 46.89889 82.39416 41.20909 12.74110       62.43152 
1 1 1 -42 4  3  o 102.2583 46.53243 3.212785       4.910915  4.997028       7.606132  1.937277       6.431001  110.3075 52.62800 100.5736 48.09691 9.733894       71.29529 
1 1 1 -42 4  4  o 127.9245 52.10154 8.117014       4.933073  4.997028       8.186288  9.895957       6.181470  108.4474 52.46182 129.8254 55.89769 -21.37797      76.66026 
1 1 1 -42 4  5  o 171.5747 51.79641 12.93322       4.531128  4.319263       7.761417  17.38704       5.580920  104.7022 50.75833 188.2224 57.62674 -83.52026      76.79356 
1 1 1 -42 4  6  o 103.5348 44.52503 4.331507       3.912915  4.634364       6.860633  4.185494       4.763676  103.1428 49.41851 101.9289 46.16549 1.213951       67.62723 
1 1 1 -42 4  7  o 97.31170 41.88721 3.579772       3.469189  -1.941439      5.422838  7.404875       4.513683  81.55439 40.13985 118.6311 49.23115 -37.07675      63.52097 
1 1 1 -42 4  8  o 177.4322 42.12353 11.91229       3.463280  8.983354       5.488915  13.84958       4.464047  117.1281 51.51122 170.2881 51.41236 -53.16006      72.77799 
1 1 1 -42 4  9  o 317.5941 27.46535 30.13675       4.062854  30.08324       6.424173  30.17242       5.244992  243.3645 57.10020 287.2538 39.89281 -43.88933      69.65536 
1 1 1 -42 6  1  o 73.03273 36.29325 -6.119586      4.836298  -6.896552      7.113751  -5.451844      6.594809  85.18618 42.59506 85.19122 42.34315 -0.5043030E-02 60.06065 
1 1 1 -42 6  2  o 121.6149 50.87061 6.763792       4.873919  -1.016944      6.891300  14.55113       6.894224  94.56342 46.27718 151.9527 61.70672 -57.38933      77.13168 
1 1 1 -42 6  3  o 96.27071 44.19504 2.258389       4.559773  1.606718       7.171298  2.700654       5.907791  100.0628 48.57366 100.8785 47.61432 -0.8157501     68.01856 
1 1 1 -42 6  4  f 89.82121 41.24262 1.522639       3.973655  10.54994       7.693340  -1.761891      4.640583  123.0035 56.80643 80.88048 39.21871 42.12298       69.02955 
1 1 1 -42 6  5  o 70.28856 34.55031 -3.560951      3.975036  -2.950654      7.116636  -3.837693      4.792276  87.79552 43.69371 75.41251 37.23350 12.38301       57.40622 
1 1 1 -42 6  6  o 87.32677 39.81712 1.760388       3.618532  -6.355530      6.779143  4.994055       4.279111  79.73857 40.10342 105.7224 46.01051 -25.98383      61.03484 
1 1 1 -42 6  7  o 252.4632 36.06216 21.16719       4.161016  18.81094       7.360080  22.27408       5.044563  147.6480 62.17897 236.6995 46.96392 -89.05150      77.92198 
1 1 1 -42 6  8  o 120.2784 52.08503 9.860286       5.429370  9.860286       5.429370  0.000000       0.000000  120.2784 52.08503 ?        ?        0.000000       52.08503 
1 1 1 -42 6  9  o 124.1856 52.31013 10.91855       5.211062  10.91855       5.211062  0.000000       0.000000  124.1856 52.31013 ?        ?        0.000000       52.31013 
1 1 1 -42 8  1  o 78.61121 38.40083 -3.076669      4.681310  -6.875744      6.803993  0.3382877      6.450858  82.78439 41.43309 96.05678 46.49350 -13.27239      62.27637 
1 1 1 -42 8  2  f 142.8516 54.59526 10.43141       5.113489  9.693818       8.281719  10.88585       6.500619  120.5184 56.72940 132.8645 57.26399 -12.34605      80.60638 
1 1 1 -42 8  3  o 129.6408 51.39139 8.287460       4.663937  -9.506540      7.713135  18.54340       5.855741  81.56293 41.22809 192.5962 59.03901 -111.0332      72.00945 
1 1 1 -42 8  4  o 137.9977 52.59064 9.786772       4.736417  15.31808       8.773846  7.511891       5.626724  129.7855 60.19328 116.8448 51.73372 12.94061       79.37008 
1 1 1 -42 8  5  o 99.59196 44.34087 3.842507       4.190240  -0.6988705     7.488462  5.912604       5.055851  91.33232 45.34849 108.8819 48.57446 -17.54958      66.45272 
1 1 1 -42 8  6  o 149.2408 49.39598 10.40987       4.037376  1.703330       7.051977  14.65517       4.924273  93.28340 45.88588 169.3666 54.45542 -76.08322      71.21030 
1 1 1 -42 8  7  f 123.2817 46.32351 7.324784       3.643716  5.472652       6.829328  8.061831       4.308138  99.45238 48.06194 121.3159 48.94883 -21.86348      68.59985 
1 1 1 -42 8  8  o 105.0471 42.46122 5.083934       3.248157  12.48811       5.568089  1.264566       3.999112  130.4408 54.45126 82.19014 38.90861 48.25067       66.92399 
1 1 1 -42 10 1  o 140.8712 53.92619 10.17513       4.994019  1.123068       7.065529  19.21225       7.059692  97.57248 47.55585 172.0282 64.51099 -74.45570      80.14503 
1 1 1 -42 10 2  o 92.62928 42.32324 2.118345       4.115401  -0.3834721     7.205912  3.329370       5.013460  93.59210 46.10446 99.78581 46.00439 -6.193710      65.13083 
1 1 1 -42 10 3  o 77.50211 37.33315 -1.301190      4.039913  0.3269917      7.614486  -1.939061      4.766016  94.55446 46.73048 79.89106 38.96442 14.66340       60.84377 
1 1 1 -42 10 4  o 82.89626 39.25992 0.3542980      4.080288  -3.055886      7.207276  1.962842       4.949926  86.33152 43.12390 91.87255 43.43048 -5.541031      61.20358 
1 1 1 -42 10 5  o 103.3144 44.40018 4.712956       3.886307  1.187574       7.705692  5.915577       4.500626  92.97031 46.13448 108.4006 47.18126 -15.43031      65.98834 
1 1 1 -42 10 6  o 128.3805 46.78290 7.901582       3.666629  10.71938       7.135538  6.890607       4.274072  113.5757 53.20468 113.4427 47.55782 0.1329880      71.36165 
1 1 1 -42 10 7  o 116.8151 45.24341 6.755497       3.544675  1.473841       6.563943  8.929846       4.211574  88.04238 43.48894 126.0491 49.17788 -38.00668      65.64870 
1 1 1 -42 10 8  o 61.45856 30.68974 -4.488551      3.636963  -12.44352      5.609509  1.280618       4.777077  ?        ?        82.62199 39.99552 0.000000       39.99552 
1 1 1 -42 12 1  o 126.6160 50.36120 8.055257       4.492738  -1.593639      7.294106  13.95363       5.702947  90.30730 44.82534 153.9059 57.92939 -63.59864      73.24702 
1 1 1 -42 12 2  o 121.0484 50.44054 7.811873       4.765964  -4.429251      7.094356  17.88050       6.434094  84.04653 42.10060 165.3009 61.66514 -81.25439      74.66626 
1 1 1 -42 12 3  o 102.4127 45.19622 4.596138       4.260392  18.21344       8.083076  -0.6420928     5.013298  138.4013 61.60485 83.08720 40.39756 55.31410       73.66898 
1 1 1 -42 12 4  o 200.9847 45.87429 16.07170       4.241554  4.833532       7.477560  21.40309       5.150303  98.99228 48.39389 224.0652 50.11883 -125.0729      69.66969 
1 1 1 -42 12 5  o 73.44957 35.37862 -0.8668509     3.626450  -8.849585      7.272527  1.774970       4.183707  75.65221 38.41999 85.99358 40.42907 -10.34137      55.77280 
1 1 1 -42 12 6  o 80.42318 38.22511 0.9008950      3.935653  -9.396552      6.916141  5.832343       4.786150  ?        ?        101.5425 46.10268 0.000000       46.10268 
1 1 1 -41 1  1  o 134.7563 58.43293 8.160774       6.851817  9.619501       9.910807  6.825209       9.483195  134.9651 63.05664 127.7597 60.30930 7.205482       87.25452 
1 1 1 -41 1  2  o 86.83719 42.85703 -5.901182      6.326736  -8.855530      8.884748  -2.862069      9.011307  94.66163 47.37300 104.6743 51.56246 -10.01263      70.02063 
1 1 1 -41 1  3  o 73.24868 36.56142 -8.188286      5.137826  3.766350       8.015634  -16.52497      6.693702  115.7176 54.86890 72.23539 36.70181 43.48222       66.01227 
1 1 1 -41 1  4  o 85.22975 40.95535 -2.066662      4.788907  -3.320452      7.140951  -1.041914      6.455830  94.78454 46.53378 97.21080 46.91637 -2.426262      66.07979 
1 1 1 -41 1  5  o 116.1381 48.07988 5.064560       4.290095  10.80856       6.761276  1.193520       5.550539  140.0519 59.32071 99.21551 46.62019 40.83637       75.44792 
1 1 1 -41 1  6  o 158.5600 47.57783 9.584280       3.831643  4.200357       5.841323  13.65042       5.076365  109.6048 50.20757 176.8666 55.09523 -67.26186      74.54048 
1 1 1 -41 1  7  o 87.89016 39.27903 1.414117       3.321676  -0.2061534     4.850930  2.844531       4.557871  88.70346 42.23989 100.0826 45.25874 -11.37914      61.90769 
1 1 1 -41 1  8  o 98.60686 41.64940 3.210841       3.318062  4.794888       5.025785  1.986920       4.417702  107.9058 48.26316 94.01157 43.28454 13.89420       64.82966 
1 1 1 -41 1  9  o 245.2036 30.02787 17.81434       3.391164  19.79192       4.999887  16.12961       4.614879  224.0522 48.81980 199.3772 49.44716 24.67497       69.48666 
1 1 1 -41 1  10 o 72.08807 33.24085 0.1183470      2.619232  -2.371879      3.548117  3.100476       3.882771  69.35209 33.77924 94.59913 42.35857 -25.24704      54.17828 
1 1 1 -41 1  11 o 254.5414 28.98160 19.54893       3.408296  19.76814       4.749951  19.31629       4.893364  219.5902 47.37524 210.4689 50.14027 9.121338       68.98159 
1 1 1 -41 1  12 f 85.91176 36.81251 2.550679       2.657447  4.363853       3.638906  0.4785970      3.890046  97.15667 42.35305 78.40897 37.47215 18.74770       56.55035 
1 1 1 -41 3  1  o 131.8628 57.71315 7.634853       6.817514  11.79251       10.12905  4.191439       9.218051  140.0352 64.85087 120.5028 57.61527 19.53239       86.74765 
1 1 1 -41 3  2  o 90.92434 43.96470 -2.596316      5.733370  -9.155767      9.225961  1.530618       7.317986  95.34469 47.79682 109.0834 51.92705 -13.73873      70.57588 
1 1 1 -41 3  3  o 123.6274 52.62471 6.104086       5.366258  6.319858       8.973104  5.983948       6.695539  122.6082 58.11207 121.8994 55.01423 0.7088165      80.02236 
1 1 1 -41 3  4  o 95.04219 43.99754 0.8727825      4.655665  -4.506540      7.379700  4.429251       6.000458  93.17075 46.03878 113.7666 51.64046 -20.59588      69.18314 
1 1 1 -41 3  5  f 183.5161 49.48256 12.70135       4.369162  4.673009       7.670171  16.55767       5.315922  113.8715 53.90020 201.6192 54.67243 -87.74765      76.77438 
1 1 1 -41 3  6  o 223.0894 43.85888 17.03802       4.438558  7.785375       7.274023  22.52676       5.602451  121.6786 55.84460 245.3934 50.22557 -123.7148      75.10810 
1 1 1 -41 3  7  o 97.32755 40.93858 2.910002       3.184354  4.426279       4.848465  1.759810       4.222799  107.9257 47.89207 93.55620 42.79456 14.36949       64.22636 
1 1 1 -41 3  8  o 252.9448 32.16819 19.26120       3.740969  23.04400       5.981669  16.83115       4.794271  229.5806 55.90883 205.3018 50.08780 24.27881       75.06387 
1 1 1 -41 3  9  o 167.5796 41.44227 10.08585       3.248626  10.59750       5.311321  9.780025       4.106285  136.0191 54.53655 146.5199 49.82991 -10.50081      73.87324 
1 1 1 -41 3  10 f 51.33079 25.65124 -4.866813      2.562321  -1.911118      3.838978  -7.241380      3.440948  72.85670 35.40665 55.82056 28.13734 17.03613       45.22544 
1 1 1 -41 3  11 o 183.1211 36.31926 11.43524       3.018078  14.66706       4.414890  8.599883       4.135234  178.3422 50.39516 127.2152 48.97980 51.12697       70.27584 
1 1 1 -41 3  12 o 117.9191 47.98439 8.064804       4.179610  8.064804       4.179610  0.000000       0.000000  117.9191 47.98439 ?        ?        0.000000       47.98439 
1 1 1 -41 5  1  o 102.3658 47.66672 1.137363       5.588917  -13.53448      8.765999  11.18609       7.254617  87.97993 44.41620 146.3206 61.68188 -58.34068      76.00956 
1 1 1 -41 5  2  o 89.00105 43.00948 -2.552537      5.467667  -1.367123      9.393648  -3.159929      6.724091  107.2623 52.80004 94.30401 46.05719 12.95828       70.06503 
1 1 1 -41 5  3  o 114.0172 49.66309 4.489154       4.994464  5.543996       8.343590  3.900119       6.234906  119.4150 56.43084 112.5718 51.67872 6.843239       76.51882 
1 1 1 -41 5  4  o 126.7922 59.92109 9.343045       9.410526  9.343045       9.410526  0.000000       0.000000  126.7922 59.92109 ?        ?        0.000000       59.92109 
1 1 1 -41 5  5  o 145.9250 51.09205 8.947543       4.328200  19.00119       7.846806  4.551130       5.188960  171.7026 67.08862 111.4722 49.50171 60.23045       83.37447 
1 1 1 -41 5  6  o 64.72499 32.15273 -5.703213      3.781993  -7.770512      6.375690  -4.580856      4.697762  79.80850 39.96785 75.39528 37.15705 4.413223       54.57175 
1 1 1 -41 5  7  o 86.73124 38.79070 1.399791       3.246212  1.119203       5.765574  1.530024       3.927974  95.60041 45.66904 90.70459 41.40666 4.895821       61.64555 
1 1 1 -41 5  8  o 201.5816 34.83113 12.78288       3.183389  16.70036       5.684389  10.99287       3.842459  179.6626 58.57068 166.5591 46.99688 13.10350       75.09482 
1 1 1 -41 5  9  o 131.3829 42.65058 6.761579       3.015395  10.58561       5.232628  4.860286       3.689636  135.3005 54.17252 107.2642 44.51216 28.03630       70.11415 
1 1 1 -41 5  10 o 106.7423 40.45959 4.522890       2.793767  6.611178       4.750211  3.418550       3.454373  110.8092 48.34489 95.33583 41.41456 15.47337       63.65842 
1 1 1 -41 5  11 o 89.41901 37.91071 2.853584       2.765684  2.521998       3.898195  3.189656       3.924473  88.24381 40.64044 91.56855 41.64072 -3.324738      58.18586 
1 1 1 -41 5  12 o 221.0743 48.63976 21.72414       4.920888  21.72414       4.920888  0.000000       0.000000  221.0743 48.63976 ?        ?        0.000000       48.63976 
1 1 1 -41 7  1  o 112.9192 49.55228 4.083202       5.055124  3.055886       7.386836  4.988110       6.932796  112.7080 53.21123 118.5029 54.43576 -5.794914      76.12285 
1 1 1 -41 7  2  o 121.3237 51.17331 5.748922       4.997841  9.601665       7.964277  3.246136       6.419087  132.9085 59.99001 110.4753 51.32317 22.43326       78.94852 
1 1 1 -41 7  3  o 156.2401 53.67107 10.41026       4.765252  4.197384       7.869595  14.00714       5.987816  113.9174 54.11781 169.2713 60.02002 -55.35397      80.81547 
1 1 1 -41 7  4  o 93.74860 42.75788 1.383977       4.176692  -1.665280      7.546118  2.730678       5.014899  97.80902 47.98161 103.0015 46.92928 -5.192436      67.11626 
1 1 1 -41 7  5  f 79.47277 37.58972 -0.9485900     3.717478  -7.788348      6.981314  1.758324       4.391916  83.26366 41.71663 95.36623 43.63006 -12.10257      60.36439 
1 1 1 -41 7  6  o 157.3737 48.05962 9.851061       3.884567  14.40844       7.736021  8.314507       4.491939  142.0477 61.84184 134.6943 51.24323 7.353455       80.31365 
1 1 1 -41 7  7  o 121.0431 45.69248 6.040429       3.553901  0.000000       0.000000  6.040429       3.553901  ?        ?        121.0431 45.69248 0.000000       45.69248 
1 1 1 -41 7  8  o 91.27544 38.92572 2.534499       2.945991  0.3269917      5.314600  3.513674       3.539564  88.94482 42.83895 98.88116 42.43063 -9.936340      60.29539 
1 1 1 -41 7  9  o 76.29939 35.09940 0.4885357      2.896431  4.227111       4.965418  -1.439655      3.565971  100.0601 46.00266 72.63617 35.01011 27.42393       57.80962 
1 1 1 -41 7  10 o 69.26505 32.96305 -0.7717016     2.944539  -0.8127230E-01 4.622500  -1.243163      3.819798  81.51577 39.43065 73.78778 35.73045 7.727989       53.21128 
1 1 1 -41 7  11 o 142.0284 53.18768 12.33650       4.795661  12.33650       4.795661  0.000000       0.000000  142.0284 53.18768 ?        ?        0.000000       53.18768 
1 1 1 -41 7  12 o 78.32845 37.56536 0.8772296      3.985483  0.8772296      3.985483  0.000000       0.000000  78.32845 37.56536 ?        ?        0.000000       37.56536 
1 1 1 -41 9  1  o 119.7754 50.40305 5.560817       4.830365  2.636148       7.114577  8.061831       6.579134  109.1749 51.74513 129.3192 56.64509 -20.14436      76.72173 
1 1 1 -41 9  2  o 140.3265 51.72499 8.319896       4.500588  4.827587       7.075879  10.69263       5.832416  114.7381 53.49677 146.4020 57.64872 -31.66393      78.64655 
1 1 1 -41 9  3  o 218.3949 46.60292 16.85903       4.641787  12.37515       7.212209  20.02973       6.064834  142.9935 60.94157 214.2272 58.52434 -71.23369      84.49245 
1 1 1 -41 9  4  o 101.7215 45.12408 3.082402       4.300768  -0.8923901E-01 7.532351  4.616529       5.238649  99.49742 48.62605 110.4103 49.33680 -10.91290      69.27202 
1 1 1 -41 9  5  o 80.47952 37.97953 -0.5807948     3.755839  7.571344       7.611565  -3.204519      4.318145  117.3932 54.97953 75.65269 36.93936 41.74052       66.23643 
1 1 1 -41 9  6  o 96.11814 41.55660 2.851660       3.445226  4.042807       7.176690  2.494947       3.927361  105.1070 50.40833 95.02467 42.57142 10.08238       65.97974 
1 1 1 -41 9  7  o 255.0744 36.28712 20.97179       4.231249  15.43104       7.603683  23.45720       5.092581  139.2330 60.94418 254.6436 44.11237 -115.4106      75.23360 
1 1 1 -41 9  8  o 235.6933 37.35509 18.52354       4.003471  5.124852       6.680633  26.03151       5.000897  102.9640 49.17919 273.9077 39.99157 -170.9437      63.38705 
1 1 1 -41 9  9  o 362.4925 26.31168 37.91373       4.456022  35.13675       6.938290  39.86326       5.813416  275.8487 55.39423 344.4143 36.43558 -68.56555      66.30288 
1 1 1 -41 9  10 o 328.3155 27.32489 32.05175       4.181736  28.29073       6.196999  35.19620       5.666306  238.8796 56.10418 311.7026 39.53340 -72.82304      68.63358 
1 1 1 -41 9  11 o 81.45301 39.71173 0.7651606      4.937795  0.7651606      4.937795  0.000000       0.000000  81.45301 39.71173 ?        ?        0.000000       39.71173 
1 1 1 -41 9  12 o 96.03870 43.50346 5.463734       4.231752  5.463734       4.231752  0.000000       0.000000  96.03870 43.50346 ?        ?        0.000000       43.50346 
1 1 1 -41 11 1  o 87.69130 41.41460 -0.3933548     4.481635  -1.650714      7.544767  0.2921820      5.570980  97.70910 47.94162 95.51205 45.42080 2.197044       66.04126 
1 1 1 -41 11 2  f 108.9119 46.32318 4.241135       4.151913  6.513081       6.962734  2.987515       5.172061  117.7499 54.26099 103.4097 47.32347 14.34016       71.99838 
1 1 1 -41 11 3  o 64.51044 32.23662 -6.859116      4.045664  -14.85137      6.995169  -2.842152      4.959210  73.52280 37.37170 81.52657 39.75861 -8.003761      54.56548 
1 1 1 -41 11 4  o 240.3222 41.40644 19.48636       4.511950  16.95898       8.417250  20.50535       5.344677  145.8769 63.98011 228.4949 51.01579 -82.61794      81.82949 
1 1 1 -41 11 5  o 104.1445 43.31147 4.013780       3.504131  13.33829       7.468507  1.381689       3.967996  134.9559 59.68476 89.19417 41.05013 45.76170       72.43884 
1 1 1 -41 11 6  o 105.9017 43.53579 4.438992       3.484780  -0.9509513E-01 7.063195  5.897741       4.006329  92.97056 45.76868 114.7622 46.87103 -21.79167      65.51080 
1 1 1 -41 11 7  o 174.4908 49.05007 12.99175       4.193721  4.595720       7.251169  17.21165       5.140699  101.3644 49.12046 190.5925 54.56297 -89.22807      73.41619 
1 1 1 -41 11 8  o 85.94357 39.08621 1.905065       3.458704  -4.066588      6.468944  4.295482       4.092824  80.43657 40.27894 99.60978 44.11155 -19.17321      59.73460 
1 1 1 -41 11 9  o 188.4938 42.13025 13.58504       3.641667  13.79013       5.554793  13.43044       4.822652  141.1717 56.04631 153.4697 53.92041 -12.29803      77.77274 
1 1 1 -41 11 10 o 230.5538 39.69913 19.73963       4.150139  15.93341       5.720656  23.96849       6.029914  145.8526 57.20157 199.4539 59.64848 -53.60135      82.64358 
1 1 1 -41 11 11 o 120.3097 52.15231 12.04221       5.454646  12.04221       5.454646  0.000000       0.000000  120.3097 52.15231 ?        ?        0.000000       52.15231 
1 1 1 -41 13 1  o 252.6706 41.28260 21.27374       4.737236  24.52140       7.831242  19.39953       5.949135  199.8592 68.79530 205.3565 58.66488 -5.497299      90.41217 
1 1 1 -41 13 2  o 80.21602 38.19840 -0.9595675     3.967159  -11.96195      6.611044  5.231867       4.959322  74.18755 37.56674 111.4258 48.98424 -37.23820      61.73100 
1 1 1 -41 13 3  o 82.86399 38.47721 0.3968112      3.600865  4.800833       7.829819  -0.7844828     4.055141  107.2375 51.73411 80.81276 38.52032 26.42471       64.49987 
1 1 1 -41 13 4  o 73.76974 34.98273 -0.9120138     3.260087  -4.036861      7.066686  -0.6715220E-01 3.674465  86.35995 43.06915 80.45654 37.84607 5.903412       57.33478 
1 1 1 -41 13 5  o 114.5537 46.46552 5.916082       3.904301  -2.594828      7.514125  9.063616       4.569572  88.80231 44.30720 132.8266 51.39044 -44.02431      67.85356 
1 1 1 -41 13 6  o 129.6553 48.99546 8.280447       4.089037  12.43460       7.449761  6.489299       4.891778  122.5767 56.35209 110.9694 48.71972 11.60731       74.49274 
1 1 1 -41 13 7  o 274.8059 37.44263 25.82753       4.714187  20.13972       7.722347  29.20630       5.951904  146.0726 62.67659 263.5110 49.84196 -117.4385      80.07856 
1 1 1 -41 13 8  o 126.4495 49.22897 8.877595       4.213443  3.700952       6.570014  12.49406       5.491413  93.42834 45.60672 133.1625 54.68632 -39.73417      71.20791 
1 1 1 -40 0  1  o 82.26281 53.67119 0.1668919      5.070927  0.1668919      5.070927  0.1668919      5.070927  82.26281 53.67119 82.26281 53.67119 0.000000       0.000000 
1 1 1 -40 0  2  o 105.1666 61.23618 3.845694       5.002146  3.845694       5.002146  3.845694       5.002146  105.1666 61.23618 105.1666 61.23618 0.000000       0.000000 
1 1 1 -40 0  3  o 225.3587 58.14331 14.93707       5.327181  14.93707       5.327181  14.93707       5.327181  225.3587 58.14331 225.3587 58.14331 0.000000       0.000000 
1 1 1 -40 0  4  o 41.53858 30.62506 -12.94211      4.376042  -12.94211      4.376042  -12.94211      4.376042  41.53858 30.62506 41.53858 30.62506 0.000000       0.000000 
1 1 1 -40 0  5  o 70.00332 47.03584 -1.250656      4.389842  -1.250656      4.389842  -1.250656      4.389842  70.00332 47.03584 70.00332 47.03584 0.000000       0.000000 
1 1 1 -40 0  6  o 263.6363 34.99221 17.72725       4.126070  17.72725       4.126070  17.72725       4.126070  263.6363 34.99221 263.6363 34.99221 0.000000       0.000000 
1 1 1 -40 0  7  o 50.01814 35.98229 -6.703330      4.147507  -6.703330      4.147507  -6.703330      4.147507  50.01814 35.98229 50.01814 35.98229 0.000000       0.000000 
1 1 1 -40 0  8  o 383.4120 33.76417 36.56362       5.981004  36.56362       5.981004  36.56362       5.981004  383.4120 33.76417 383.4120 33.76417 0.000000       0.000000 
1 1 1 -40 0  9  o 95.11678 53.19060 3.296671       3.563402  3.296671       3.563402  3.296671       3.563402  95.11678 53.19060 95.11678 53.19060 0.000000       0.000000 
1 1 1 -40 0  10 o 80.35346 48.55915 1.837693       3.367030  1.837693       3.367030  1.837693       3.367030  80.35346 48.55915 80.35346 48.55915 0.000000       0.000000 
1 1 1 -40 0  11 o 109.1214 56.20923 4.601665       3.690360  4.601665       3.690360  4.601665       3.690360  109.1214 56.20923 109.1214 56.20923 0.000000       0.000000 
1 1 1 -40 0  12 o 64.22427 42.91779 -0.7734840     3.566813  -0.7734840     3.566813  -0.7734840     3.566813  64.22427 42.91779 64.22427 42.91779 0.000000       0.000000 
1 1 1 -40 0  13 o 363.9834 30.34715 32.90726       5.112895  32.90726       5.112895  32.90726       5.112895  363.9834 30.34715 363.9834 30.34715 0.000000       0.000000 
1 1 1 -40 0  14 o 361.0525 32.57194 32.72890       5.428479  32.72890       5.428479  32.72890       5.428479  361.0525 32.57194 361.0525 32.57194 0.000000       0.000000 
1 1 1 -40 2  1  o 118.1081 45.99988 4.226389       3.679949  -3.010490      5.312274  10.90308       5.102528  90.51224 43.39828 170.4089 55.48907 -79.89668      70.44464 
1 1 1 -40 2  2  o 134.0579 46.20254 5.960784       3.532727  2.907777       5.004966  8.992086       4.987143  112.0805 49.24208 153.5661 54.74097 -41.48563      73.62985 
1 1 1 -40 2  3  o 95.95538 41.40916 1.644756       3.408035  3.754294       5.243433  0.1017224      4.484456  116.3421 50.77488 94.89536 43.66137 21.44672       66.96569 
1 1 1 -40 2  4  o 207.4982 36.49565 12.62389       3.432199  12.49078       5.039366  12.73906       4.687444  181.0452 54.61707 188.6778 51.41241 -7.632614      75.00840 
1 1 1 -40 2  5  o 97.57630 40.19793 2.362205       2.978692  -0.1289275     4.672274  4.067994       3.866274  93.63969 43.59653 113.6455 46.18736 -20.00584      63.51323 
1 1 1 -40 2  6  o 237.3744 27.81528 15.34965       3.047010  15.81557       4.730170  15.01919       3.983609  213.9913 48.15429 220.0668 39.95309 -6.075455      62.57064 
1 1 1 -40 2  7  o 177.0120 39.77003 9.946123       3.230738  7.877527       4.773640  11.69441       4.388524  137.0804 52.66385 176.3453 50.38915 -39.26492      72.88723 
1 1 1 -40 2  8  o 88.83538 38.26250 1.638305       2.898416  2.655173       4.307472  0.7969680      3.918097  101.4113 45.06451 90.01434 41.19178 11.39691       61.05385 
1 1 1 -40 2  9  f 121.1978 40.98283 5.123906       2.777464  3.840666       4.229454  6.096909       3.682878  106.3253 46.00675 124.6692 46.62522 -18.34394      65.50215 
1 1 1 -40 2  10 o 181.1008 34.02645 10.06788       2.792290  10.07729       4.062916  10.05945       3.843963  156.1382 49.38651 159.8879 47.58154 -3.749680      68.57864 
1 1 1 -40 2  11 o 147.7892 37.94238 7.387040       2.651276  8.153984       3.749471  6.620096       3.749471  138.0918 47.59844 123.5858 46.86507 14.50601       66.79780 
1 1 1 -40 2  12 o 89.62778 36.83546 2.546298       2.493821  -1.111772      3.580492  5.992866       3.475443  74.28607 35.62110 117.2461 44.96149 -42.96004      57.36200 
1 1 1 -40 2  13 o 214.3504 31.58586 14.38745       3.089368  11.56362       4.386367  17.16706       4.351888  150.1132 51.49737 207.4680 45.81591 -57.35481      68.92805 
1 1 1 -40 2  14 o 185.6922 37.52143 12.29113       3.164722  13.50178       4.397013  10.98989       4.558541  161.5016 51.40831 135.2462 51.58132 26.25537       72.82477 
1 1 1 -40 4  1  o 159.0444 46.30509 8.342155       3.674487  8.960651       5.542490  7.857128       4.908159  150.6152 57.01188 145.2843 53.92551 5.330856       78.47493 
1 1 1 -40 4  2  o 215.7085 37.25002 13.57888       3.643104  8.197733       5.590883  17.54977       4.802722  143.7648 56.49587 235.8025 44.93884 -92.03772      72.18922 
1 1 1 -40 4  3  o 168.5578 42.89857 9.051674       3.409980  6.309120       5.341332  10.93847       4.430310  130.6980 53.83426 175.3612 50.78438 -44.66322      74.00798 
1 1 1 -40 4  4  o 154.9131 41.85456 7.679329       3.122202  20.03683       5.320400  1.188360       3.855971  245.5529 47.78018 95.17858 42.44387 150.3744       63.90953 
1 1 1 -40 4  5  o 59.04436 28.81069 -3.536737      2.614438  -5.769303      4.500667  -2.399672      3.211940  73.81911 36.37812 71.22535 34.04204 2.593765       49.82197 
1 1 1 -40 4  6  o 136.1165 43.61588 6.337022       3.161045  -3.317479      6.883796  8.916811       3.558403  94.98660 46.43504 160.9951 45.15612 -66.00854      64.77104 
1 1 1 -40 4  7  o 130.8438 44.60213 6.095942       3.289956  7.544590       5.217420  5.139715       4.238917  131.6720 53.59978 118.2018 48.23685 13.47013       72.10915 
1 1 1 -40 4  8  o 130.0949 41.90332 5.875436       2.914806  4.670036       4.639077  6.661713       3.746739  112.8402 48.50248 131.1019 47.36483 -18.26170      67.79321 
1 1 1 -40 4  9  f 88.12615 36.93976 1.932739       2.578071  1.612961       4.312468  2.110583       3.216028  94.17023 43.13818 92.42048 40.05398 1.749748       58.86615 
1 1 1 -40 4  10 o 142.4430 39.36236 6.953200       2.725218  4.390607       4.154789  8.888229       3.610380  107.0576 45.95570 150.5399 46.39315 -43.48232      65.30123 
1 1 1 -40 4  11 o 319.4363 23.58402 27.81994       3.518758  23.75446       4.981986  31.86683       4.970585  260.4218 42.10516 321.0497 33.40192 -60.62787      53.74507 
1 1 1 -40 4  12 o 81.82372 35.13966 1.712757       2.431175  -1.496433      3.289900  5.573722       3.608552  70.28196 33.81487 111.9403 44.92758 -41.65834      56.23107 
1 1 1 -40 4  13 o 232.6944 28.16236 16.18752       3.019896  14.98514       4.184793  17.49406       4.362291  188.8042 47.23576 209.0349 45.64306 -20.23068      65.68490 
1 1 1 -40 4  14 o 70.69611 33.05252 0.2154412      2.730656  1.831154       3.604723  -1.960167      4.182926  82.61018 38.40533 71.73024 35.29469 10.87994       52.16018 
1 1 1 -40 4  15 o 294.6020 43.48117 35.90963       5.844557  35.90963       5.844557  0.000000       0.000000  294.6020 43.48117 ?        ?        0.000000       43.48117 
1 1 1 -40 6  1  o 120.7261 44.52176 4.603052       3.334936  6.657351       5.172587  3.141640       4.362770  134.6344 53.87675 110.9247 47.33923 23.70978       71.71964 
1 1 1 -40 6  2  o 92.03120 40.10787 1.232463       3.261354  -1.254791      5.178180  2.867830       4.198793  94.14727 44.47979 107.9426 46.26321 -13.79535      64.17738 
1 1 1 -40 6  3  f 164.4434 41.84038 8.570591       3.244430  4.207265       5.216330  11.32355       4.143395  117.5528 50.97878 182.4783 47.72609 -64.92544      69.83277 
1 1 1 -40 6  4  o 195.1168 36.09877 11.22650       3.191233  14.04018       5.595883  9.870401       3.884884  184.8255 57.89028 169.2268 47.08252 15.59872       74.61935 
1 1 1 -40 6  5  o 171.9837 37.24750 8.979599       2.926151  12.24988       4.900059  7.167005       3.648034  176.5976 53.98554 141.4489 46.96045 35.14870       71.55224 
1 1 1 -40 6  6  o 105.0799 43.02354 3.318445       3.386139  5.496433       7.102415  2.677765       3.852113  119.9109 55.08813 101.7653 43.97018 18.14562       70.48460 
1 1 1 -40 6  7  o 72.92990 36.73287 -10.78181      5.800316  -10.78181      5.800316  0.000000       0.000000  72.92990 36.73287 ?        ?        0.000000       36.73287 
1 1 1 -40 6  8  o 105.8136 40.31169 3.693101       2.782289  5.312129       4.943825  2.942628       3.365918  115.3571 49.82784 99.63603 42.00902 15.72104       65.17339 
1 1 1 -40 6  9  o 149.0818 40.30944 7.599344       2.894647  8.822831       4.838490  6.917361       3.612409  136.0877 52.81716 131.4817 46.61893 4.605942       70.44839 
1 1 1 -40 6  10 o 107.1806 44.35207 4.432224       3.648320  0.000000       0.000000  4.432224       3.648320  ?        ?        107.1806 44.35207 0.000000       44.35207 
1 1 1 -40 6  11 o 204.1222 30.82922 12.55416       2.867965  17.13734       4.522355  9.470869       3.709266  210.5302 46.86967 150.1792 47.14719 60.35098       66.48025 
1 1 1 -40 6  12 o 202.8665 32.63557 12.97433       3.008770  18.72473       4.625738  8.757432       3.961218  217.1252 46.67834 134.3367 48.67582 82.78859       67.44036 
1 1 1 -40 6  13 o 78.57751 35.32983 1.379124       2.731261  2.062129       3.573591  0.4197384      4.235351  85.28443 39.14175 80.54204 38.65294 4.742393       55.01024 
1 1 1 -40 6  14 o 200.1720 49.33665 18.53448       4.615819  18.53448       4.615819  0.000000       0.000000  200.1720 49.33665 ?        ?        0.000000       49.33665 
1 1 1 -40 6  15 o 211.7198 54.21394 24.35791       5.422773  24.35791       5.422773  0.000000       0.000000  211.7198 54.21394 ?        ?        0.000000       54.21394 
1 1 1 -40 8  1  o 103.3415 43.86917 2.505378       3.710892  1.126635       8.424561  2.837292       4.133501  115.1962 55.07851 107.3343 45.94958 7.861816       71.72871 
1 1 1 -40 8  2  o 92.50813 40.79915 1.157168       3.466310  -0.1797563     8.651595  1.412816       3.783237  111.6934 54.00703 96.20496 42.51658 15.48840       68.73441 
1 1 1 -40 8  3  o 89.82519 39.87590 0.9308707      3.364486  0.000000       0.000000  0.9308707      3.364486  ?        ?        89.82519 39.87590 0.000000       39.87590 
1 1 1 -40 8  4  o 84.66954 38.14039 0.3915272      3.200606  -2.732164      8.575500  0.8970734      3.449895  103.7464 50.94580 89.65353 40.05120 14.09290       64.80412 
1 1 1 -40 8  5  o 146.7716 44.24712 7.433242       3.308252  2.972652       8.623013  8.203115       3.582387  114.4018 54.96896 152.1123 46.08585 -37.71057      71.73209 
1 1 1 -40 8  6  o 198.5032 40.70112 12.64971       3.672930  1.932224       7.174246  16.45660       4.275775  107.2130 51.14064 225.4114 41.86578 -118.1985      66.09167 
1 1 1 -40 8  7  o 88.61076 38.39042 1.616406       2.952514  -4.188467      6.447072  3.156956       3.321269  88.13622 43.45417 101.6131 42.20475 -13.47690      60.57645 
1 1 1 -40 8  8  o 184.4913 37.01934 10.75190       3.101013  10.48454       5.686705  10.86504       3.699456  141.2570 56.50359 173.7375 44.93104 -32.48050      72.19040 
1 1 1 -40 8  9  o 204.0886 33.35058 12.67758       3.091169  21.48633       5.590790  8.799049       3.709795  229.6073 52.85723 147.8858 47.23586 81.72150       70.88802 
1 1 1 -40 8  10 o 175.4377 39.02319 10.44994       3.137254  10.51427       5.513695  10.41914       3.815021  134.7876 55.01062 159.9536 47.35675 -25.16606      72.58671 
1 1 1 -40 8  11 o 318.1724 25.04601 28.42515       3.718304  30.55886       5.607647  26.75090       4.967336  291.4874 42.11858 279.8986 38.76803 11.58881       57.24452 
1 1 1 -40 8  12 o 205.8071 37.13176 14.50720       3.462540  18.88526       4.735359  9.476814       5.075902  211.6514 48.58935 123.0214 51.71327 88.63003       70.95905 
1 1 1 -40 8  13 o 120.2821 44.14893 6.852844       3.273814  8.457194       4.296322  4.631392       5.055518  119.8710 48.69966 95.31169 44.69183 24.55934       66.09853 
1 1 1 -40 8  14 o 104.8464 46.14180 7.065993       4.410936  7.065993       4.410936  0.000000       0.000000  104.8464 46.14180 ?        ?        0.000000       46.14180 
1 1 1 -40 8  15 o 219.1681 53.74834 26.21879       5.499018  26.21879       5.499018  0.000000       0.000000  219.1681 53.74834 ?        ?        0.000000       53.74834 
1 1 1 -40 10 1  o 158.6181 48.23167 8.876769       3.918560  2.287456       7.341010  11.50240       4.633966  113.7924 53.51625 176.1082 52.20488 -62.31577      74.76188 
1 1 1 -40 10 2  o 88.47509 39.63465 0.6974657      3.403621  5.312129       6.994468  -0.7343000     3.896015  122.4725 55.65443 85.18105 39.70918 37.29142       68.36837 
1 1 1 -40 10 3  o 221.5873 37.71899 14.83125       3.790788  5.630203       7.945575  17.54278       4.313340  122.4651 56.96212 238.2276 39.90148 -115.7624      69.54720 
1 1 1 -40 10 4  o 174.0317 42.06625 9.906099       3.405622  -7.954817      7.397572  14.70961       3.836339  88.14278 43.97557 218.2733 38.78439 -130.1305      58.63515 
1 1 1 -40 10 5  o 139.1312 42.17143 6.604700       2.999192  -3.156956      7.224291  8.637506       3.296716  95.08353 46.70564 159.4498 42.97821 -64.36632      63.47081 
1 1 1 -40 10 6  o 83.51983 37.42093 0.7719255      3.035350  8.656363       7.338169  -0.8555291     3.333933  126.8984 57.40228 77.33762 36.27311 49.56080       67.90258 
1 1 1 -40 10 7  o 76.42274 35.07000 -0.4864476E-01 2.867475  -2.311237      6.342244  0.5326992      3.214818  90.43679 44.28688 82.58399 37.60643 7.852798       58.09967 
1 1 1 -40 10 8  o 99.99180 41.49007 3.311450       3.205172  -7.360286      6.352496  6.956006       3.712352  79.32549 39.75095 129.6536 47.10006 -50.32814      61.63241 
1 1 1 -40 10 9  o 298.5289 28.36887 25.67651       3.935922  21.28716       6.433062  28.30262       4.975934  198.7638 62.03942 297.0770 36.36644 -98.31316      71.91251 
1 1 1 -40 10 10 o 293.1580 29.10994 25.37115       3.961241  28.25803       6.151852  23.32640       5.177410  258.5944 52.36849 247.3307 46.19945 11.26370       69.83443 
1 1 1 -40 10 11 o 134.9048 45.33324 7.958535       3.398218  9.649228       4.692412  6.093936       4.927839  130.1605 51.56365 106.7647 47.76897 23.39584       70.29000 
1 1 1 -40 10 12 o 101.4008 41.96117 4.598989       3.265673  2.696790       4.354031  7.045185       4.937523  89.01666 41.65557 107.5457 47.98875 -18.52906      63.54610 
1 1 1 -40 10 13 o 78.93990 37.65893 1.011296       3.892733  1.011296       3.892733  0.000000       0.000000  78.93990 37.65893 ?        ?        0.000000       37.65893 
1 1 1 -40 10 14 o 85.66591 40.77510 3.415577       4.509638  3.415577       4.509638  0.000000       0.000000  85.66591 40.77510 ?        ?        0.000000       40.77510 
1 1 1 -40 10 15 f 139.2945 54.75674 16.60226       5.253550  16.60226       5.253550  0.000000       0.000000  139.2945 54.75674 ?        ?        0.000000       54.75674 
1 1 1 -40 12 1  o 158.5381 45.27570 8.642082       3.544042  12.77051       7.343001  7.388340       4.046553  153.7168 63.19516 140.0450 49.37448 13.67188       80.19643 
1 1 1 -40 12 2  o 140.4982 45.70871 7.025636       3.462617  24.92271       7.749292  2.560951       3.870494  225.9080 67.63358 101.3309 43.92827 124.5771       80.64735 
1 1 1 -40 12 3  o 73.56147 34.66447 -1.367250      3.108025  -3.932818      7.308596  -0.8008575     3.434005  94.32951 46.46075 79.40861 37.10599 14.92090       59.45970 
1 1 1 -40 12 4  o 62.96244 30.62826 -3.233750      2.891459  -10.85018      6.985620  -1.659071      3.176327  80.18667 40.37797 72.53573 34.43631 7.650940       53.06826 
1 1 1 -40 12 5  o 117.5863 45.63738 5.180552       3.612496  -1.007432      7.077977  7.360286       4.200841  97.23631 47.43718 132.8930 49.77737 -35.65667      68.76098 
1 1 1 -40 12 6  o 197.8459 43.55874 13.57784       3.944137  16.29013       7.903461  12.67836       4.551386  151.6586 64.18072 175.3925 51.67004 -23.73393      82.39513 
1 1 1 -40 12 7  f 98.74468 42.44223 3.124746       3.551992  9.030916       6.957974  1.043104       4.130788  122.6280 55.64180 89.18008 41.34001 33.44790       69.31815 
1 1 1 -40 12 8  o 326.0298 31.63493 31.95975       4.790632  12.80618       7.932821  42.95482       6.010379  128.0849 58.61288 369.3362 35.01308 -241.2514      68.27435 
1 1 1 -40 12 9  o 212.5892 40.44536 15.76930       3.896848  15.62723       6.141549  15.86504       5.041735  155.6273 59.74766 182.0193 54.56678 -26.39201      80.91549 
1 1 1 -40 12 10 o 96.70556 41.72738 3.644313       3.459695  2.963139       4.803275  4.378716       4.987414  93.45418 43.73838 99.18294 45.78180 -5.728760      63.31682 
1 1 1 -40 12 11 o 283.7294 33.53376 26.33701       4.389107  33.73960       6.129353  18.54638       6.287954  286.5256 47.11396 157.8930 60.49407 128.6326       76.67632 
1 1 1 -40 12 12 o 125.2025 45.62722 7.899637       3.487779  1.987812       4.270909  19.73543       6.043079  84.00198 39.89497 163.2489 59.97274 -79.24687      72.03012 
1 1 1 -40 12 13 o 98.77509 44.45135 6.135553       4.335145  6.135553       4.335145  0.000000       0.000000  98.77509 44.45135 ?        ?        0.000000       44.45135 
1 1 1 -40 14 1  o 227.1885 35.74636 15.51537       3.694001  16.78954       7.609497  15.12253       4.225258  167.7390 65.91260 213.2924 43.58439 -45.55341      79.01942 
1 1 1 -40 14 2  o 83.74947 37.93835 0.5186974      3.218723  -3.697979      6.902695  1.690299       3.638509  91.85967 45.22641 93.27573 41.43496 -1.416054      61.33746 
1 1 1 -40 14 3  o 107.2922 41.66837 3.859053       3.012937  -1.280618      6.712190  5.155952       3.371705  95.46232 46.48877 118.5215 44.55581 -23.05923      64.39275 
1 1 1 -40 14 4  o 111.7516 41.76186 4.393026       2.953528  1.709572       7.455459  4.892565       3.216710  103.3433 50.01089 115.5767 43.50579 -12.23340      66.28607 
1 1 1 -40 14 5  o 85.35542 38.64347 1.016442       3.333921  -5.419144      7.045766  2.873068       3.784395  86.26788 43.02036 98.18677 42.98592 -11.91889      60.81563 
1 1 1 -40 14 6  o 83.59833 38.86460 0.4422374      3.691411  5.969085       7.031509  -1.660523      4.337153  110.5941 52.12271 79.58269 38.42004 31.01146       64.75243 
1 1 1 -40 14 7  o 157.9150 48.91196 10.63793       4.007323  10.41320       6.685150  10.76397       5.006511  124.7064 55.72868 142.0759 54.08742 -17.36947      77.66038 
1 1 1 -40 14 8  o 100.8767 43.14290 4.036305       3.637552  1.950951       5.826020  5.368609       4.656758  93.44808 44.97008 106.6559 47.15100 -13.20779      65.15769 
1 1 1 -40 14 9  f 206.7824 45.93742 16.97797       4.352234  12.25030       6.004372  22.21165       6.317539  130.4946 55.60960 192.3591 61.66231 -61.86456      83.03413 
1 1 1 -40 14 10 o 161.7283 47.47176 11.76233       3.848006  11.93817       5.090734  11.52794       5.877462  135.7731 53.73277 122.9941 53.71540 12.77898       75.97733 
1 1 1 -40 16 1  o 135.4676 43.36003 6.646417       3.124726  0.1017539      6.414387  8.682765       3.577977  97.05896 46.82407 152.2782 46.03989 -55.21922      65.66708 
1 1 1 -40 16 2  o 68.77595 32.41277 -1.164375      2.718664  -4.565993      6.654174  -0.4827825     2.978610  86.73483 43.01157 74.91151 34.85445 11.82332       55.36089 
1 1 1 -40 16 3  o 101.2415 40.61467 3.432190       2.947485  -0.3576100E-01 6.452538  4.346624       3.313374  94.85146 46.05112 108.7343 43.24892 -13.88285      63.17574 
1 1 1 -40 16 4  o 102.4540 44.12543 3.748943       3.854217  -3.926873      7.083775  6.976814       4.593678  87.74882 43.65788 121.7564 50.01125 -34.00762      66.38625 
1 1 1 -39 1  1  o 101.0281 42.67525 1.843433       3.483944  3.474103       5.113589  0.4307586      4.759525  120.0078 51.23424 102.0503 46.18969 17.95750       68.98141 
1 1 1 -39 1  2  o 161.3439 46.20153 8.237838       3.685432  9.109156       5.437841  7.497607       5.012124  157.7065 57.04839 146.6684 54.48288 11.03812       78.88538 
1 1 1 -39 1  3  o 162.1745 45.15788 8.288157       3.572210  8.659299       5.081820  7.925637       5.022439  154.6865 55.24559 148.9645 54.68185 5.721985       77.73146 
1 1 1 -39 1  4  o 129.4660 45.16901 5.286292       3.381413  10.73106       4.874561  0.2361379      4.694595  173.2648 53.99159 98.99514 45.22083 74.26963       70.42738 
1 1 1 -39 1  5  o 399.0873 22.27001 40.43275       4.164113  36.05027       6.061827  44.34865       5.730058  355.2339 36.81030 405.7781 30.23634 -50.54422      47.63647 
1 1 1 -39 1  6  o 85.12752 36.58486 0.9617622      2.638661  -6.143140      3.908380  6.912528       3.576878  68.04587 33.60163 143.6796 46.43364 -75.63373      57.31625 
1 1 1 -39 1  7  f 164.1868 34.41631 7.791919       2.573108  5.476100       3.658410  10.05905       3.619745  127.3863 46.68322 176.9856 43.73161 -49.59937      63.96700 
1 1 1 -39 1  8  o 74.16528 33.36368 -0.9405519E-01 2.439502  -1.728812      3.493483  1.461729       3.408056  77.30782 36.52721 93.50928 40.86908 -16.20146      54.81350 
1 1 1 -39 1  9  o 150.1247 32.67281 6.553053       2.241786  8.543965       3.330163  4.903168       3.031562  160.2006 43.20203 121.1052 42.73174 39.09537       60.76526 
1 1 1 -39 1  10 o 202.2635 25.83666 11.06887       2.402069  8.167068       3.307694  14.30684       3.494036  154.0565 43.65136 219.1337 35.07934 -65.07713      56.00002 
1 1 1 -39 1  11 o 132.4807 37.05445 5.633869       2.399591  7.452438       3.562171  4.123068       3.246784  140.2654 46.39670 109.4571 43.04049 30.80830       63.28616 
1 1 1 -39 1  12 o 181.7308 33.17410 9.974901       2.731441  13.08264       3.961347  7.158146       3.771335  191.2888 44.80920 132.1261 47.54925 59.16270       65.33602 
1 1 1 -39 1  13 o 172.0266 36.94818 9.653090       2.900678  9.221166       3.936101  10.16647       4.291224  146.5518 48.78531 149.9162 50.93988 -3.364334      70.53282 
1 1 1 -39 1  14 o 69.88148 32.55960 -0.3196514     2.613835  -4.057670      3.658913  3.576100       3.735313  65.61462 32.42149 98.00852 42.81223 -32.39391      53.70326 
1 1 1 -39 1  15 o 544.9124 21.26137 80.31544       5.449884  84.57195       7.811259  76.27824       7.607384  516.7362 32.29735 486.2004 33.46599 30.53577       46.50904 
1 1 1 -39 1  16 o 350.4016 27.52556 37.04647       4.500513  32.22355       6.191503  42.44947       6.553266  265.1196 51.50216 326.4122 43.78340 -61.29266      67.59777 
1 1 1 -39 3  1  o 93.30389 41.05091 0.7095513      3.489217  -1.278033      5.191906  2.346633       4.711934  97.85126 45.69076 111.5953 48.42332 -13.74400      66.57675 
1 1 1 -39 3  2  o 114.9501 45.66829 3.579075       3.690500  1.568048       5.518841  5.205759       4.963527  111.2319 50.09659 129.5904 52.45152 -18.35853      72.53158 
1 1 1 -39 3  3  o 282.6256 30.27975 21.39470       3.962954  23.03797       6.097247  20.19275       5.214618  267.4338 50.31380 257.5392 44.66272 9.894592       67.27732 
1 1 1 -39 3  4  o 74.71124 35.27898 -2.106898      3.249796  0.7434377      5.175992  -3.961699      4.175364  104.1740 47.54620 77.98852 37.66195 26.18549       60.65528 
1 1 1 -39 3  5  o 122.9149 41.82108 4.652607       2.892421  4.914110       4.964012  4.518186       3.559012  124.5293 51.64960 120.6771 45.68400 3.852226       68.95441 
1 1 1 -39 3  6  o 275.2040 24.92626 19.74020       3.191850  18.02787       5.271985  20.73106       4.010396  232.2066 49.76166 274.2033 31.67459 -41.99673      58.98731 
1 1 1 -39 3  7  o 78.05824 34.37841 0.3714024      2.452727  -1.097126      3.820537  1.400985       3.198997  83.78614 39.14719 92.36700 39.98929 -8.580856      55.96111 
1 1 1 -39 3  8  o 143.5213 34.51479 6.081218       2.301622  8.466756       3.715636  4.595958       2.931846  155.8570 46.87132 119.2399 42.02851 36.61713       62.95487 
1 1 1 -39 3  9  o 221.3638 24.05402 12.93797       2.464434  17.58381       3.861828  9.746195       3.200936  245.4724 34.38799 176.1922 39.58642 69.28012       52.43681 
1 1 1 -39 3  10 o 219.3262 25.35279 12.95540       2.567481  12.41414       3.475280  13.60583       3.809644  199.5499 38.41687 205.9195 40.77201 -6.369614      56.01976 
1 1 1 -39 3  11 o 356.5419 20.52926 32.87294       3.428577  33.53151       4.865826  32.22355       4.831834  342.0782 30.56036 334.3151 31.08050 7.763123       43.58822 
1 1 1 -39 3  12 o 90.12352 36.42332 2.306169       2.389675  3.510702       3.347867  1.054994       3.412069  102.0624 42.38090 86.04274 39.01164 16.01967       57.60250 
1 1 1 -39 3  13 o 289.0975 24.24623 22.90919       3.266844  25.87991       4.666309  20.05351       4.575071  285.9581 35.44987 240.0101 42.05565 45.94806       55.00337 
1 1 1 -39 3  14 o 62.29273 29.94731 -1.748485      2.567671  -0.3626635     3.499264  -3.365042      3.779362  76.55196 36.28494 68.38011 33.62748 8.171844       49.47125 
1 1 1 -39 3  15 o 93.16523 38.43379 3.211085       2.727638  4.797860       3.635571  1.167658       4.125670  102.7264 43.50430 83.71638 39.59777 19.01002       58.82692 
1 1 1 -39 3  16 o 104.8584 42.01189 5.163904       3.149366  5.300238       4.212243  4.991083       4.742514  99.39777 44.34073 96.25724 44.50574 3.140533       62.82405 
1 1 1 -39 5  1  o 82.02811 38.03689 -1.319035      3.501164  5.963140       5.434199  -6.487174      4.577960  135.2602 54.83457 75.57964 37.13628 59.68060       66.22639 
1 1 1 -39 5  2  o 157.2218 51.54877 8.449688       4.400781  6.929625       5.459628  11.26932       7.435819  140.7563 55.66436 162.1414 64.69553 -21.38518      85.34654 
1 1 1 -39 5  3  o 77.99928 36.98161 -2.441331      3.640016  -5.037562      4.920833  0.6958978      5.409286  82.16628 39.96680 105.7573 48.39735 -23.59102      62.76662 
1 1 1 -39 5  4  o 147.8694 41.63934 6.751448       3.019489  8.371279       5.307038  5.976091       3.671711  149.0224 55.92322 135.0060 47.06991 14.01634       73.09571 
1 1 1 -39 5  5  o 104.4415 39.42571 3.016741       2.645915  2.974555       4.769619  3.035494       3.180104  111.9549 48.64917 106.3705 42.35082 5.584435       64.50065 
1 1 1 -39 5  6  o 347.1603 21.17216 30.56236       3.440993  21.40843       5.458865  36.59766       4.432490  257.6252 46.76726 374.2615 25.32603 -116.6363      53.18444 
1 1 1 -39 5  7  o 115.0018 38.69456 4.051582       2.475844  4.855148       4.156357  3.609636       3.082381  120.5819 48.28038 109.6577 42.26842 10.92426       64.16863 
1 1 1 -39 5  8  o 73.05231 32.11154 0.3046604      2.130767  2.483035       3.501172  -0.9767783     2.685320  100.4756 42.62970 71.54922 33.22470 28.92635       54.04787 
1 1 1 -39 5  9  o 83.74973 34.11357 1.556689       2.115096  2.789399       3.404226  0.7816232      2.699339  101.1196 42.42019 82.11224 36.11726 19.00736       55.71291 
1 1 1 -39 5  10 o 255.5437 23.53097 17.29849       2.796840  16.20142       3.755125  18.66528       4.191398  231.8834 35.56057 246.3916 37.33244 -14.50816      51.55836 
1 1 1 -39 5  11 o 89.18114 36.81341 2.066034       2.504617  4.479786       3.436252  -0.6697385     3.658294  111.3650 44.12294 80.27225 37.76044 31.09274       58.07482 
1 1 1 -39 5  12 o 306.4702 23.67818 25.35347       3.387071  23.66825       4.606686  27.33651       4.997193  273.2412 36.77424 293.0584 37.07914 -19.81717      52.22267 
1 1 1 -39 5  13 o 207.3290 51.28880 17.91915       4.974530  0.000000       0.000000  17.91915       4.974530  ?        ?        207.3290 51.28880 0.000000       51.28880 
1 1 1 -39 5  14 o 157.6158 38.58422 8.739141       2.837677  13.27586       3.903810  3.656362       4.132075  183.5385 45.45402 97.22423 43.60406 86.31430       62.98716 
1 1 1 -39 5  15 o 138.2841 43.87072 8.181792       3.204201  10.23781       4.336871  5.710464       4.754753  136.4349 50.68035 102.7726 46.37323 33.66228       68.69479 
1 1 1 -39 5  16 o 100.0800 44.37388 5.570750       4.153951  5.570750       4.153951  0.000000       0.000000  100.0800 44.37388 ?        ?        0.000000       44.37388 
1 1 1 -39 5  17 o 102.6774 46.72482 8.151011       4.952177  8.151011       4.952177  0.000000       0.000000  102.6774 46.72482 ?        ?        0.000000       46.72482 
1 1 1 -39 7  1  o 140.6990 44.45301 6.191480       3.292440  4.798444       5.139616  7.160999       4.287733  126.7877 52.56820 145.7659 50.86297 -18.97813      73.14682 
1 1 1 -39 7  2  o 176.4232 40.26950 9.259015       3.268336  5.812294       5.177824  11.54189       4.213914  132.5503 53.59904 189.8166 47.35049 -57.26627      71.51871 
1 1 1 -39 7  3  o 226.6032 32.06652 14.08122       3.322685  12.50409       5.638335  14.92032       4.112679  180.5904 58.29166 224.4965 40.43151 -43.90607      70.94099 
1 1 1 -39 7  4  o 200.5799 33.24213 11.24173       3.026666  15.50144       5.484843  9.376690       3.629267  207.5803 55.21063 171.5854 44.56548 35.99492       70.95277 
1 1 1 -39 7  5  o 137.7849 42.30633 6.034378       3.005461  2.637337       9.324521  6.428207       3.174901  122.2760 58.31946 141.1449 43.50658 -18.86884      72.75976 
1 1 1 -39 7  6  o 87.41397 36.87620 1.362926       2.595951  1.916948       4.792169  1.132829       3.088332  104.6878 46.95421 89.69957 39.06234 14.98825       61.07835 
1 1 1 -39 7  7  o 314.6104 22.44283 25.52081       3.299605  32.43163       7.277523  23.73255       3.701977  302.1419 53.14419 298.0480 26.68704 4.093964       59.46850 
1 1 1 -39 7  8  o 95.36806 35.72378 2.547216       2.163710  0.2823796      3.442480  4.026238       2.781892  85.80103 39.01098 112.3736 40.78014 -26.57253      56.43471 
1 1 1 -39 7  9  o 195.7490 29.03911 10.70473       2.592867  7.917838       3.683338  13.44233       3.650618  146.4776 47.09681 207.7075 38.78978 -61.22989      61.01439 
1 1 1 -39 7  10 o 165.6693 47.35649 10.20361       3.875422  10.20361       3.875422  0.000000       0.000000  165.6693 47.35649 ?        ?        0.000000       47.35649 
1 1 1 -39 7  11 f 77.47238 35.17387 0.3020640      2.785847  -1.663199      4.054433  2.059751       3.834340  78.89584 37.85110 94.12451 42.12353 -15.22867      56.63124 
1 1 1 -39 7  12 o 215.3423 30.32489 13.65215       2.986754  19.10226       4.235444  8.261000       4.212468  241.0857 38.65321 134.4596 49.94787 106.6261       63.15742 
1 1 1 -39 7  13 o 245.8008 26.77758 17.26987       3.046072  16.15042       4.017169  18.78419       4.672257  213.8224 41.43530 221.5832 46.31644 -7.760849      62.14577 
1 1 1 -39 7  14 o 174.3654 37.67599 10.52886       3.000020  14.92866       4.048806  5.172414       4.467342  194.7667 45.08310 103.4325 45.93122 91.33418       64.35963 
1 1 1 -39 7  15 o 310.6837 27.93290 29.13343       4.038654  27.98455       5.232549  30.82640       6.351831  269.4495 42.70679 250.7655 55.33066 18.68404       69.89529 
1 1 1 -39 7  16 o 138.1901 52.07332 12.33650       4.610754  12.33650       4.610754  0.000000       0.000000  138.1901 52.07332 ?        ?        0.000000       52.07332 
1 1 1 -39 7  17 o 165.7401 60.89240 23.77824       6.229999  23.77824       6.229999  0.000000       0.000000  165.7401 60.89240 ?        ?        0.000000       60.89240 
1 1 1 -39 9  1  o 248.5977 31.56159 16.79541       3.607677  24.71883       5.894223  12.04886       4.562039  282.9253 45.85761 190.1643 50.24492 92.76093       68.02553 
1 1 1 -39 9  2  o 197.0249 35.11763 10.98624       3.135397  16.33977       5.429225  8.307335       3.840572  217.7864 53.40415 158.3405 47.66062 59.44594       71.57890 
1 1 1 -39 9  3  o 107.0648 40.13984 3.224808       2.732866  -5.252981      4.877284  7.104673       3.299476  80.40462 39.25929 148.9471 44.02604 -68.54247      58.98800 
1 1 1 -39 9  4  o 147.5751 40.43307 6.736122       2.889884  13.19436       5.180702  3.818834       3.481940  188.6817 54.99650 113.5121 44.59201 75.16961       70.80299 
1 1 1 -39 9  5  o 145.2322 38.57338 6.447065       2.679715  3.337732       5.131416  7.612969       3.142209  113.3153 49.82061 154.6891 42.06997 -41.37385      65.20718 
1 1 1 -39 9  6  o 251.8858 25.35181 16.76500       2.963060  12.26171       5.051221  19.12755       3.658664  177.2949 54.91435 263.5494 30.04871 -86.25446      62.59801 
1 1 1 -39 9  7  o 88.25166 35.98603 1.782056       2.356852  0.5310833      4.360544  2.298331       2.801283  93.77265 43.11116 95.56133 39.12983 -1.788681      58.22126 
1 1 1 -39 9  8  o 85.58714 35.19591 1.635269       2.278456  3.570632       4.056074  0.7430097      2.754040  107.8894 45.83443 82.17871 36.29874 25.71064       58.46703 
1 1 1 -39 9  9  o 179.0847 32.45583 9.398324       2.633461  8.184723       3.475508  11.03448       4.035460  150.5146 45.34651 172.8199 47.95220 -22.30530      65.99787 
1 1 1 -39 9  10 o 74.59544 33.30417 0.3948758      2.381614  -0.7941874     3.528388  1.390012       3.227863  78.59648 37.00600 87.87079 39.03071 -9.274307      53.78513 
1 1 1 -39 9  11 o 366.7289 23.22143 36.10878       3.985251  39.83353       6.231837  33.53151       5.183782  350.2273 38.45974 331.8738 33.67128 18.35352       51.11660 
1 1 1 -39 9  12 o 51.52146 25.76328 -5.200502      2.604009  -6.417955      3.577584  -3.828776      3.797497  59.68470 29.89721 68.14208 33.54848 -8.457382      44.93711 
1 1 1 -39 9  13 o 98.15601 40.08679 3.602076       2.930310  2.095720       3.720235  6.064210       4.756224  88.64647 40.40100 108.9991 47.94285 -20.35265      62.69575 
1 1 1 -39 9  14 o 211.3172 35.55070 15.01870       3.408420  13.12426       4.292308  18.25208       5.607634  165.2137 50.53041 175.1914 58.22561 -9.977737      77.09438 
1 1 1 -39 9  15 o 207.0329 54.51330 22.16409       5.382099  22.16409       5.382099  0.000000       0.000000  207.0329 54.51330 ?        ?        0.000000       54.51330 
1 1 1 -39 9  16 o 74.65835 36.44250 0.6141499E-01  4.193535  0.6141499E-01  4.193535  0.000000       0.000000  74.65835 36.44250 ?        ?        0.000000       36.44250 
1 1 1 -39 9  17 o 316.0452 55.15924 55.94531       7.902116  55.94531       7.902116  0.000000       0.000000  316.0452 55.15924 ?        ?        0.000000       55.15924 
1 1 1 -39 11 1  o 106.0771 42.10720 2.979465       3.134922  3.085473       4.978666  2.909822       4.035366  113.8641 49.59079 109.1871 46.01455 4.677048       67.65047 
1 1 1 -39 11 2  o 238.1877 30.43572 15.45513       3.332169  17.33919       5.393104  14.29180       4.237835  224.9252 52.00998 214.6319 43.46442 10.29340       67.78048 
1 1 1 -39 11 3  o 292.7892 26.18542 22.57897       3.568414  18.94513       5.813595  24.77566       4.520083  230.1275 54.53786 298.1276 32.77198 -68.00017      63.62688 
1 1 1 -39 11 4  o 133.1881 42.29209 5.725437       2.977237  5.612193       5.006182  5.787408       3.703313  126.0153 52.03447 129.9476 47.06778 -3.932388      70.16382 
1 1 1 -39 11 5  o 235.6969 27.21727 14.94351       2.962160  19.70759       5.377372  12.86812       3.549197  240.4216 49.20486 207.2853 37.79169 33.13634       62.04298 
1 1 1 -39 11 6  o 115.3734 39.35810 4.209734       2.561830  4.124183       4.521139  4.250192       3.109130  113.6014 48.32891 114.3815 42.82753 -0.7800827     64.57462 
1 1 1 -39 11 7  o 109.5637 38.35085 3.778354       2.438579  8.447794       4.729119  2.087052       2.846154  142.1258 52.89724 93.07273 38.89775 49.05303       65.65937 
1 1 1 -39 11 8  o 127.7358 41.17247 5.558725       2.813641  2.786404       4.558295  7.265161       3.576231  102.8972 45.99759 139.3817 46.50661 -36.48442      65.41134 
1 1 1 -39 11 9  o 185.3739 34.87837 10.49140       2.929784  3.455548       3.977705  18.83472       4.331553  103.7210 44.74841 242.1755 39.37553 -138.4545      59.60581 
1 1 1 -39 11 10 o 74.26859 34.01960 0.3277054E-02  2.681498  -3.035754      3.811496  2.981570       3.773216  71.85679 35.00169 98.53442 43.03577 -26.67764      55.47248 
1 1 1 -39 11 11 o 123.2383 44.82026 6.210016       3.363041  -1.884958      4.585741  15.63020       4.946881  79.73432 38.73708 187.4017 53.48156 -107.6673      66.03665 
1 1 1 -39 11 12 o 288.9818 29.62677 24.90216       3.970460  28.01427       5.522613  21.57253       5.712349  274.9979 44.18837 213.5202 56.13181 61.47768       71.43803 
1 1 1 -39 11 13 o 125.1610 44.54661 6.981671       3.301385  6.061237       4.166489  8.534484       5.411699  109.0660 46.39693 115.1913 50.88168 -6.125328      68.85943 
1 1 1 -39 11 14 o 118.3297 43.43062 6.510796       3.168105  3.822830       3.806368  12.57134       5.715508  93.36193 41.86257 127.3100 54.25407 -33.94811      68.52721 
1 1 1 -39 11 15 o 59.70354 30.13318 -6.367420      4.019428  -6.367420      4.019428  0.000000       0.000000  59.70354 30.13318 ?        ?        0.000000       30.13318 
1 1 1 -39 13 1  o 214.3053 42.55818 14.24269       4.138984  0.000000       0.000000  14.24269       4.138984  ?        ?        214.3053 42.55818 0.000000       42.55818 
1 1 1 -39 13 2  o 130.1299 41.24116 5.384985       2.832163  7.752366       4.686730  4.023201       3.554594  142.7296 52.75095 114.2674 45.00181 28.46220       69.33849 
1 1 1 -39 13 3  o 62.54712 30.15601 -2.826882      2.650437  -5.632202      4.562686  -1.398154      3.256149  75.11654 36.94184 76.43629 35.84944 -1.319748      51.47700 
1 1 1 -39 13 4  o 232.5334 26.72151 14.53333       2.869796  13.49796       5.058185  15.02482       3.484995  186.9955 54.29564 229.0135 33.32739 -42.01797      63.70818 
1 1 1 -39 13 5  o 125.0439 39.45226 5.031796       2.594031  3.079057       4.891775  5.795728       3.059649  107.7839 47.95406 130.6977 42.98856 -22.91381      64.40193 
1 1 1 -39 13 6  o 140.2437 39.07753 6.345355       2.674057  9.215631       4.802063  5.055278       3.219392  146.9598 53.54089 120.4152 43.84357 26.54453       69.20177 
1 1 1 -39 13 7  o 183.4582 34.37300 10.10212       2.857358  10.04380       4.900983  10.13216       3.516923  150.0833 54.17935 171.8162 43.47811 -21.73285      69.46760 
1 1 1 -39 13 8  o 134.6796 39.89754 6.168958       2.707259  5.597997       3.633267  6.881689       4.059355  120.1800 45.99852 128.6514 48.76873 -8.471344      67.03919 
1 1 1 -39 13 9  o 121.9877 42.47975 5.529633       2.990081  5.569850       4.052362  5.481570       4.430060  115.7642 47.19381 113.8870 48.11541 1.877151       67.39694 
1 1 1 -39 13 10 o 97.26423 41.04056 3.177961       3.216498  0.6899525      4.572377  5.615339       4.525615  88.19973 41.70861 111.6956 47.95512 -23.49592      63.55550 
1 1 1 -39 13 11 o 72.69048 34.62409 -0.9148413     3.264073  2.373365       4.492156  -4.592747      4.750896  92.55653 42.97729 72.51938 36.02672 20.03715       56.08005 
1 1 1 -39 13 12 o 103.7997 42.17224 4.573050       3.221976  4.143877       4.027578  5.335910       5.369704  98.39427 43.65681 101.7630 47.15898 -3.368767      64.26420 
1 1 1 -39 13 13 o 88.77682 39.68442 2.885957       3.392683  3.787158       4.170071  1.121582       5.834826  93.31315 42.62315 85.85921 42.13403 7.453941       59.93337 
1 1 1 -39 15 1  o 97.80959 40.71359 2.325518       3.100352  -9.714626      6.218798  6.307868       3.576517  79.54173 39.78061 134.2195 46.47490 -54.67776      61.17527 
1 1 1 -39 15 2  o 139.2549 41.38728 6.331818       2.909687  0.8957159      4.914079  9.266638       3.610681  98.57967 45.48252 165.1977 45.16765 -66.61807      64.09974 
1 1 1 -39 15 3  f 89.29351 37.55466 1.699005       2.679153  1.273611       4.415277  1.946911       3.370594  96.96904 44.12411 95.27909 41.14904 1.689949       60.33391 
1 1 1 -39 15 4  o 66.57803 31.67077 -1.890264      2.712494  -0.7179236     4.609557  -2.511243      3.354831  88.86438 41.97862 71.46126 34.32315 17.40312       54.22438 
1 1 1 -39 15 5  o 156.7040 38.81373 7.879374       2.846227  4.842338       4.652121  9.696274       3.598252  114.6372 48.90276 166.0766 44.95803 -51.43935      66.42818 
1 1 1 -39 15 6  o 96.89777 39.15620 2.773992       2.761351  0.4174225      4.563182  4.135529       3.468506  91.00875 42.60575 109.0232 43.94463 -18.01442      61.20769 
1 1 1 -39 15 7  o 104.8679 42.14036 3.777443       3.178923  0.3278944      4.538886  7.098692       4.453679  89.28402 42.01807 126.5816 50.20667 -37.29763      65.46929 
1 1 1 -39 15 8  o 89.82301 39.59157 1.939536       3.259423  1.753660       4.457651  2.153092       4.778051  93.32719 43.15009 95.98525 44.48273 -2.658058      61.97293 
1 1 1 -39 15 9  o 284.1133 34.30978 25.28282       4.492568  32.34245       6.897162  20.08026       5.920898  272.8552 55.62295 200.6911 58.87948 72.16417       80.99818 
1 1 1 -39 15 10 o 104.2518 43.58762 4.520824       3.575915  1.660523       4.995481  7.526754       5.121072  90.63046 43.07335 116.0766 50.42492 -25.44612      66.31731 
1 1 1 -39 15 11 o 79.15041 37.28260 0.4854753      3.588334  -4.004162      4.771727  6.328776       5.443762  72.34795 35.96899 105.3106 48.32446 -32.96268      60.24136 
1 1 1 -39 17 1  o 94.68007 39.48383 2.249524       2.923569  4.016053       6.150970  1.733976       3.322907  113.1294 51.71026 92.93164 40.49288 20.19778       65.67819 
1 1 1 -39 17 2  o 102.1705 45.39780 2.635270       4.370471  -1.250000      6.454716  5.924495       5.939000  96.24174 46.56404 120.2029 53.18869 -23.96115      70.69120 
1 1 1 -39 17 3  o 136.1746 43.09969 6.532671       3.093967  -0.9060643     6.577591  8.646174       3.506055  96.65429 46.82422 155.0800 45.25449 -58.42574      65.11893 
1 1 1 -39 17 4  o 76.15207 35.39113 -0.5011218     3.057000  -3.177765      6.927513  0.1461489      3.406631  91.81266 45.22346 82.43616 37.97539 9.376495       59.05330 
1 1 1 -39 17 5  f 90.21133 39.62439 1.807227       3.239090  1.885553       7.113656  1.786740       3.638117  102.5244 49.42390 91.92068 41.09192 10.60372       64.27494 
1 1 1 -39 17 6  o 86.88056 43.09648 -3.959572      6.699722  -3.959572      6.699722  0.000000       0.000000  86.88056 43.09648 ?        ?        0.000000       43.09648 
1 1 1 -38 0  1  o 227.6199 71.08686 16.34958       6.675258  16.34958       6.675258  16.34958       6.675258  227.6199 71.08686 227.6199 71.08686 0.000000       0.000000 
1 1 1 -38 0  2  o 165.1384 73.96777 10.17836       6.123588  10.17836       6.123588  10.17836       6.123588  165.1384 73.96777 165.1384 73.96777 0.000000       0.000000 
1 1 1 -38 0  3  o 367.3896 38.54456 33.80809       6.493495  33.80809       6.493495  33.80809       6.493495  367.3896 38.54456 367.3896 38.54456 0.000000       0.000000 
1 1 1 -38 0  4  o 109.6355 63.01877 4.196889       5.192590  4.196889       5.192590  4.196889       5.192590  109.6355 63.01877 109.6355 63.01877 0.000000       0.000000 
1 1 1 -38 0  5  o 83.07977 52.78984 0.9538929      4.501385  0.9538929      4.501385  0.9538929      4.501385  83.07977 52.78984 83.07977 52.78984 0.000000       0.000000 
1 1 1 -38 0  6  o 88.00129 51.82864 2.392540       3.653124  2.392540       3.653124  2.392540       3.653124  88.00129 51.82864 88.00129 51.82864 0.000000       0.000000 
1 1 1 -38 0  7  o 136.4698 57.26415 6.535312       3.693564  6.535312       3.693564  6.535312       3.693564  136.4698 57.26415 136.4698 57.26415 0.000000       0.000000 
1 1 1 -38 0  8  o 85.63982 50.23786 2.294956       3.408030  2.294956       3.408030  2.294956       3.408030  85.63982 50.23786 85.63982 50.23786 0.000000       0.000000 
1 1 1 -38 0  9  o 370.5859 26.28475 33.34566       4.529118  33.34566       4.529118  33.34566       4.529118  370.5859 26.28475 370.5859 26.28475 0.000000       0.000000 
1 1 1 -38 0  10 o 240.9233 33.25268 14.77136       3.563973  14.77136       3.563973  14.77136       3.563973  240.9233 33.25268 240.9233 33.25268 0.000000       0.000000 
1 1 1 -38 0  11 o 153.8392 51.35048 7.476747       3.312317  7.476747       3.312317  7.476747       3.312317  153.8392 51.35048 153.8392 51.35048 0.000000       0.000000 
1 1 1 -38 0  12 o 91.52419 51.23419 2.980310       3.310233  2.980310       3.310233  2.980310       3.310233  91.52419 51.23419 91.52419 51.23419 0.000000       0.000000 
1 1 1 -38 0  13 o 63.43864 41.78254 -0.3258027     3.182764  -0.3258027     3.182764  -0.3258027     3.182764  63.43864 41.78254 63.43864 41.78254 0.000000       0.000000 
1 1 1 -38 0  14 o 471.8746 27.17286 54.13199       5.985819  54.13199       5.985819  54.13199       5.985819  471.8746 27.17286 471.8746 27.17286 0.000000       0.000000 
1 1 1 -38 0  15 o 57.55908 40.02639 -2.967004      3.843024  -2.967004      3.843024  -2.967004      3.843024  57.55908 40.02639 57.55908 40.02639 0.000000       0.000000 
1 1 1 -38 0  16 o 138.8154 61.56577 7.247325       4.243743  7.247325       4.243743  7.247325       4.243743  138.8154 61.56577 138.8154 61.56577 0.000000       0.000000 
1 1 1 -38 0  17 o 64.32217 44.21437 -2.336207      4.364322  -2.336207      4.364322  -2.336207      4.364322  64.32217 44.21437 64.32217 44.21437 0.000000       0.000000 
1 1 1 -38 0  18 o 304.1798 53.56318 25.96314       6.954372  25.96314       6.954372  25.96314       6.954372  304.1798 53.56318 304.1798 53.56318 0.000000       0.000000 
1 1 1 -38 2  1  o 277.2074 38.80544 21.38785       4.921497  21.05529       6.971682  21.71819       6.948472  248.5388 60.25599 254.2288 59.20602 -5.689987      84.47566 
1 1 1 -38 2  2  o 185.5635 47.24902 10.56799       4.135296  10.46298       5.644392  10.68966       6.075792  172.3497 58.42263 171.7260 60.50548 0.6236877      84.10777 
1 1 1 -38 2  3  o 196.8126 47.09537 11.89640       4.301844  11.53965       5.737776  12.35434       6.500888  179.4801 58.86135 180.4667 62.64812 -0.9865570     85.96188 
1 1 1 -38 2  4  o 86.51736 39.17495 -0.4093817     3.427627  -3.775619      4.993194  2.590510       4.713667  88.02744 42.17191 113.8352 48.90939 -25.80771      64.58017 
1 1 1 -38 2  5  o 135.5688 44.11920 5.634007       3.225884  8.300649       5.201036  3.966788       4.112482  153.1806 55.73391 119.8601 48.01300 33.32059       73.56302 
1 1 1 -38 2  6  o 126.8227 41.04776 4.816340       2.794433  -1.342835      4.482297  8.732282       3.574024  91.25999 42.55952 167.5357 44.57128 -76.27574      61.62720 
1 1 1 -38 2  7  o 74.69885 33.40990 -0.1826740     2.408219  0.7567232      3.638902  -0.9147329     3.212320  93.76227 41.55427 80.15579 36.90692 13.60648       55.57768 
1 1 1 -38 2  8  o 159.6712 33.81683 7.229719       2.460915  6.451484       3.823385  7.780171       3.215531  138.4832 48.04637 157.9238 42.39479 -19.44057      64.07630 
1 1 1 -38 2  9  o 101.3151 36.36736 2.879604       2.204792  5.001581       3.488034  1.467589       2.845313  124.0534 45.56483 90.72696 38.45821 33.32642       59.62540 
1 1 1 -38 2  10 o 140.6152 36.00991 5.911328       2.392298  5.368154       3.255759  6.548751       3.526930  127.0760 44.32257 137.9982 46.18472 -10.92213      64.01186 
1 1 1 -38 2  11 o 108.5983 37.40728 3.597938       2.315588  7.407961       3.146303  -0.9045780     3.420302  149.6075 42.63676 79.78505 37.19781 69.82240       56.58242 
1 1 1 -38 2  12 o 68.41123 31.03938 -0.2787743     2.164830  1.392607       3.098162  -1.873385      3.026172  89.11961 38.95819 70.40062 33.47821 18.71899       51.36663 
1 1 1 -38 2  13 o 182.2273 45.75456 11.81926       3.916426  11.81926       3.916426  0.000000       0.000000  182.2273 45.75456 ?        ?        0.000000       45.75456 
1 1 1 -38 2  14 o 176.0996 35.42057 9.685582       2.832488  7.624852       3.823922  12.19085       4.216239  135.7360 47.98178 175.8239 49.09604 -40.08784      68.64890 
1 1 1 -38 2  15 o 132.6929 40.70813 6.409482       2.783353  7.565399       3.930468  5.246730       3.942069  130.0442 48.25905 111.2145 46.06883 18.82974       66.71786 
1 1 1 -38 2  16 o 79.79562 35.99395 1.125320       2.861850  2.235731       4.025469  -0.9470869E-02 4.069421  90.23695 41.46198 80.95135 38.58685 9.285591       56.63957 
1 1 1 -38 2  17 o 155.4408 43.56708 9.872520       3.313604  8.439359       4.541397  11.50416       4.845675  119.8420 49.52878 137.6330 53.01221 -17.79105      72.54926 
1 1 1 -38 2  18 o 287.1905 50.47390 37.90131       6.569906  37.90131       6.569906  0.000000       0.000000  287.1905 50.47390 ?        ?        0.000000       50.47390 
1 1 1 -38 4  1  f 130.1868 47.75415 4.962303       3.829461  10.03005       5.229666  -0.8965518     5.623060  171.8530 56.18670 104.6112 48.40113 67.24178       74.15939 
1 1 1 -38 4  2  o 157.1080 48.84008 7.786554       3.991430  7.493408       5.466607  8.121284       5.841493  149.4246 56.60603 153.2985 58.40855 -3.873886      81.33757 
1 1 1 -38 4  3  o 170.5675 48.34664 9.183541       4.056798  13.57053       5.677648  4.607610       5.798624  197.3464 57.58867 130.0756 55.00652 67.27081       79.63775 
1 1 1 -38 4  4  o 124.5401 44.43942 4.574182       3.287524  1.228968       5.134710  6.898117       4.279726  108.7903 48.71216 145.3930 50.81080 -36.60271      70.38900 
1 1 1 -38 4  5  o 228.7935 30.23451 13.96953       3.174277  14.23608       5.315368  13.82177       3.957453  204.5824 54.32135 218.4597 39.98360 -13.87735      67.44996 
1 1 1 -38 4  6  o 81.75999 36.04063 0.2582215      2.701529  2.377633       4.895669  -0.6697119     3.239386  111.6476 48.88497 82.13023 37.53521 29.51733       61.63305 
1 1 1 -38 4  7  o 74.47738 33.41842 -0.2453087     2.430188  2.533651       4.198255  -1.645707      2.980255  108.2015 46.31411 73.54288 34.43000 34.65859       57.70981 
1 1 1 -38 4  8  o 181.3371 28.95708 8.885345       2.386981  6.644765       3.667684  10.53169       3.143922  140.9492 47.09765 191.0352 36.31294 -50.08606      59.47115 
1 1 1 -38 4  9  o 101.5729 36.37777 2.911479       2.204876  0.8510328      3.304283  4.565288       2.960325  89.92809 39.73885 120.4886 42.25033 -30.56050      58.00230 
1 1 1 -38 4  10 o 118.0387 37.09451 4.242838       2.295477  1.066442       3.092184  8.142094       3.426012  88.75934 38.85748 156.3510 44.46840 -67.59163      59.05373 
1 1 1 -38 4  11 o 113.3984 36.53164 3.949214       2.215324  7.342906       3.005577  -0.8757433E-01 3.278004  150.2252 41.26561 82.40191 37.69681 67.82333       55.89186 
1 1 1 -38 4  12 o 148.8116 32.77084 6.534060       2.231961  4.401792       2.793617  10.29727       3.711291  115.0178 40.97351 171.8949 45.27093 -56.87713      61.05969 
1 1 1 -38 4  13 o 163.3714 31.75521 7.853556       2.352491  3.926873       3.331983  11.75648       3.321889  107.2947 43.13327 192.7576 37.98649 -85.46288      57.47567 
1 1 1 -38 4  14 o 108.5624 39.33317 4.075069       2.586460  2.731570       3.566913  5.564804       3.756022  96.48503 41.99897 117.1655 46.22233 -20.68051      62.45332 
1 1 1 -38 4  15 o 218.9904 30.20847 14.23815       3.029038  13.07075       4.012529  15.78478       4.618522  183.7832 46.40472 196.1985 49.92058 -12.41525      68.15763 
1 1 1 -38 4  16 o 150.5270 53.52696 12.13139       4.765620  0.000000       0.000000  12.13139       4.765620  ?        ?        150.5270 53.52696 0.000000       53.52696 
1 1 1 -38 4  17 o 104.6734 43.42530 5.196171       3.510294  13.24911       4.946892  -2.971165      4.981905  147.9454 54.27488 74.41476 36.95533 73.53061       65.66170 
1 1 1 -38 4  18 o 88.23553 42.12155 3.466112       4.886954  3.466112       4.886954  0.000000       0.000000  88.23553 42.12155 ?        ?        0.000000       42.12155 
1 1 1 -38 6  1  o 149.3265 48.16303 6.940959       3.849718  6.848222       5.224504  7.051130       5.694450  145.3060 55.26791 146.4456 57.17051 -1.139633      79.51735 
1 1 1 -38 6  2  o 89.34876 40.61021 -0.5442703     3.726473  -1.305959      5.260828  0.2227705      5.279278  99.60680 46.33672 106.0517 48.25375 -6.444901      66.89930 
1 1 1 -38 6  3  f 249.9473 36.11267 17.27893       4.122850  14.92030       5.402600  20.56778       6.379622  212.2537 53.98460 248.5362 55.92019 -36.28255      77.72647 
1 1 1 -38 6  4  o 190.0556 36.04963 10.12467       3.105007  5.242451       5.144824  12.92176       3.894171  131.2651 53.30579 210.7563 40.75353 -79.49121      67.09961 
1 1 1 -38 6  5  o 296.8340 27.02458 22.92793       3.732150  20.27653       5.432867  25.29727       5.135769  256.5779 46.73513 299.6751 37.23479 -43.09720      59.75452 
1 1 1 -38 6  6  o 400.2381 19.91330 39.83321       3.749134  29.50247       5.836468  47.09063       4.891876  318.7995 39.78515 428.9670 24.34307 -110.1674      46.64165 
1 1 1 -38 6  7  o 109.1500 39.12602 3.406428       2.551140  3.156335       4.363855  3.536280       3.144444  112.4572 47.64621 111.5231 42.76687 0.9340973      64.02473 
1 1 1 -38 6  8  o 64.68330 29.71792 -0.8374398     2.067371  -2.107896      3.387117  -0.8312596E-01 2.609915  75.67487 35.81954 77.27821 34.65665 -1.603340      49.84097 
1 1 1 -38 6  9  o 119.3321 39.61713 4.400229       2.596337  8.816177       3.955184  1.056481       3.441688  158.9000 48.48755 91.98184 40.60605 66.91814       63.24472 
1 1 1 -38 6  10 o 140.4469 40.35898 6.293869       2.807813  7.819859       4.979867  5.582640       3.399746  139.3548 53.72279 127.7306 45.23264 11.62427       70.22913 
1 1 1 -38 6  11 o 102.5193 34.96480 3.133082       2.021823  3.980349       2.698488  2.048752       3.052751  111.5997 40.21510 94.17410 39.87273 17.42563       56.63116 
1 1 1 -38 6  12 o 92.85606 35.66729 2.438470       2.189358  2.881609       2.858903  1.810048       3.404514  99.03421 39.90414 92.97624 40.73637 6.057968       57.02449 
1 1 1 -38 6  13 o 48.31959 24.09928 -4.630922      2.213964  -4.474463      2.920134  -4.842450      3.395368  58.61620 28.96354 63.07072 31.17702 -4.454517      42.55458 
1 1 1 -38 6  14 o 228.7304 28.12387 14.93694       2.962247  14.75624       3.917016  15.17836       4.527479  207.3907 41.59832 196.7574 49.07988 10.63324       64.33704 
1 1 1 -38 6  15 o 94.47208 38.60820 2.996856       2.720423  5.775863       3.654245  -0.4580857     4.074490  115.0797 45.53064 80.42825 38.41299 34.65145       59.57011 
1 1 1 -38 6  16 o 243.5247 32.88746 18.85707       3.671043  19.73841       4.858433  17.68431       5.604383  217.6548 48.67280 175.3939 58.20470 42.26093       75.87376 
1 1 1 -38 6  17 o 184.6869 57.32560 19.71165       5.501244  19.71165       5.501244  0.000000       0.000000  184.6869 57.32560 ?        ?        0.000000       57.32560 
1 1 1 -38 6  18 o 83.24738 40.15786 2.275565       4.715759  2.275565       4.715759  0.000000       0.000000  83.24738 40.15786 ?        ?        0.000000       40.15786 
1 1 1 -38 6  19 o 102.8633 48.26060 11.16231       5.909648  11.16231       5.909648  0.000000       0.000000  102.8633 48.26060 ?        ?        0.000000       48.26060 
1 1 1 -38 8  1  f 74.39601 35.74089 -3.719402      3.642287  -2.001651      5.189994  -5.386445      5.112815  96.43138 45.23776 84.78275 41.12350 11.64864       61.13589 
1 1 1 -38 8  2  o 106.6378 47.88514 0.8657951      4.999624  -7.841856      11.11054  3.076695       5.598470  115.7933 57.08127 120.8980 52.62138 -5.104729      77.63557 
1 1 1 -38 8  3  o 260.2333 38.56741 19.17229       4.578286  26.46552       6.940931  13.55529       6.091298  285.5402 53.64479 191.0582 60.47476 94.48199       80.83910 
1 1 1 -38 8  4  o 258.0321 27.08473 17.34186       3.238474  12.83870       5.596294  19.60907       3.970891  188.2980 57.71544 269.6337 31.92725 -81.33568      65.95773 
1 1 1 -38 8  5  o 170.4942 36.62123 8.324128       2.849419  4.309134       5.306438  9.950872       3.377694  123.8936 52.51881 183.5122 40.23661 -59.61861      66.16049 
1 1 1 -38 8  6  f 91.99721 36.40611 1.916165       2.336825  3.183923       4.661720  1.490686       2.700641  114.1856 48.83767 90.89331 37.93037 23.29226       61.83714 
1 1 1 -38 8  7  o 319.4876 19.82842 25.57334       2.965252  27.88741       5.127290  24.41042       3.634757  313.9928 35.32704 306.1448 25.47060 7.847992       43.55171 
1 1 1 -38 8  8  o 233.7158 26.23088 14.44056       2.834051  10.93428       4.178103  17.42866       3.857030  179.4099 48.39409 248.3609 33.89954 -68.95094      59.08610 
1 1 1 -38 8  9  o 142.6267 34.11829 5.949504       2.258309  3.787407       3.169935  8.177765       3.218072  111.2418 42.86859 159.6021 42.21418 -48.36022      60.16438 
1 1 1 -38 8  10 o 392.1717 17.68101 38.35305       3.261764  39.59394       4.322626  36.71225       4.970617  389.2335 23.72170 365.6754 29.13835 23.55811       37.57343 
1 1 1 -38 8  11 o 76.30361 33.05822 0.7142549      2.189278  2.207454       2.887969  -1.303211      3.356887  93.99429 39.22408 76.40250 36.01002 17.59178       53.24706 
1 1 1 -38 8  12 o 88.61437 35.65350 2.062398       2.278652  2.453420       2.951469  1.485434       3.585190  94.89707 39.63131 91.18930 40.77651 3.707771       56.86268 
1 1 1 -38 8  13 o 76.67166 34.80067 0.2952089      2.724628  0.2952089      2.724628  0.000000       0.000000  76.67166 34.80067 ?        ?        0.000000       34.80067 
1 1 1 -38 8  14 o 226.3209 31.07790 15.30180       3.221271  19.75327       4.262764  9.375744       4.918386  244.9458 38.24570 134.2160 52.91082 110.7298       65.28620 
1 1 1 -38 8  15 o 67.57347 31.79185 -0.6757054     2.595018  2.930143       3.232276  -7.214626      4.352690  93.10926 40.25377 64.12376 32.23549 28.98550       51.57026 
1 1 1 -38 8  16 o 377.0077 25.68196 41.01320       4.527442  45.33294       6.030614  35.43401       6.853588  368.0556 35.26370 274.9294 54.91595 93.12628       65.26324 
1 1 1 -38 8  17 o 102.4055 46.44078 6.623068       4.838657  6.623068       4.838657  0.000000       0.000000  102.4055 46.44078 ?        ?        0.000000       46.44078 
1 1 1 -38 8  18 o 243.0726 60.19778 36.02854       6.847080  36.02854       6.847080  0.000000       0.000000  243.0726 60.19778 ?        ?        0.000000       60.19778 
1 1 1 -38 8  19 o 117.8384 53.27831 17.25922       6.312855  17.25922       6.312855  0.000000       0.000000  117.8384 53.27831 ?        ?        0.000000       53.27831 
1 1 1 -38 10 1  o 148.0182 47.84114 6.930901       3.796927  7.125317       5.139986  6.697385       5.633172  145.5677 54.95058 142.0292 56.42341 3.538574       78.76019 
1 1 1 -38 10 2  o 387.4326 27.33569 38.89450       4.949944  34.37953       6.561595  44.85732       7.540630  344.9083 41.26145 394.1209 41.28606 -49.21262      58.36991 
1 1 1 -38 10 3  o 119.2591 46.84328 4.020892       3.841901  1.322329       5.343629  6.908443       5.527577  109.4822 49.30303 141.5392 55.99837 -32.05700      74.60969 
1 1 1 -38 10 4  o 92.43436 37.86575 1.682138       2.624634  6.652757       5.098942  -0.1096050     3.061348  139.0683 54.15165 83.38069 37.45403 55.68765       65.84228 
1 1 1 -38 10 5  o 85.28711 35.74153 1.149161       2.412631  1.838810       5.029913  0.9430797      2.749573  108.5684 48.44105 86.93150 37.35259 21.63689       61.16985 
1 1 1 -38 10 6  o 118.1585 38.03086 4.144559       2.401295  7.122657       4.954635  3.230270       2.745263  139.9421 53.67914 107.1973 40.22269 32.74480       67.07693 
1 1 1 -38 10 7  o 64.41273 30.00331 -1.237873      2.217085  1.692287       4.365396  -2.256392      2.573728  102.2536 45.40607 64.42707 30.70384 37.82654       54.81275 
1 1 1 -38 10 8  o 217.3053 26.71625 12.61393       2.673437  8.208331       3.684570  17.51189       3.885010  154.7446 46.70611 247.5005 34.29051 -92.75600      57.94221 
1 1 1 -38 10 9  o 114.7074 37.32689 4.047538       2.309088  2.903932       3.200949  5.288348       3.334212  102.5824 41.89610 124.6031 44.72281 -22.02065      61.28142 
1 1 1 -38 10 10 o 73.82671 32.79212 0.2494005      2.278383  0.1466986      3.189448  0.3564210      3.255816  82.38994 37.49474 84.13729 38.13137 -1.747353      53.47763 
1 1 1 -38 10 11 o 324.4126 22.63048 27.63470       3.431878  33.68346       4.735283  20.94233       4.980838  346.4167 29.33434 249.9279 43.97164 96.48883       52.85838 
1 1 1 -38 10 12 o 68.83089 31.94468 -0.6479549     2.477204  0.1503745E-01  3.202323  -1.635850      3.909006  79.59004 36.71935 78.11201 37.39312 1.478027       52.40760 
1 1 1 -38 10 13 o 98.13351 38.31214 3.175144       2.557400  3.439816       3.184512  2.694412       4.291811  100.2581 41.45817 96.96781 43.87789 3.290329       60.36596 
1 1 1 -38 10 14 o 183.9978 38.71228 11.53203       3.244527  12.08978       3.980617  10.42806       5.600324  172.0791 47.58089 130.8859 54.62044 41.19318       72.43848 
1 1 1 -38 10 15 o 148.2909 43.98129 8.965283       3.288395  7.434603       4.113199  11.67658       5.474264  120.1060 48.05057 133.4764 54.68307 -13.37034      72.79489 
1 1 1 -38 10 16 o 140.6553 53.47099 12.42568       4.888680  12.42568       4.888680  0.000000       0.000000  140.6553 53.47099 ?        ?        0.000000       53.47099 
1 1 1 -38 10 17 o 86.34303 41.30042 3.109394       4.747345  3.109394       4.747345  0.000000       0.000000  86.34303 41.30042 ?        ?        0.000000       41.30042 
1 1 1 -38 10 18 o 106.0795 49.51101 12.17896       6.085774  12.17896       6.085774  0.000000       0.000000  106.0795 49.51101 ?        ?        0.000000       49.51101 
1 1 1 -38 12 1  o 68.52718 33.47598 -4.957505      3.558437  -11.83264      4.982195  2.201843       5.084132  68.41667 34.40550 112.5146 49.52671 -44.09789      60.30450 
1 1 1 -38 12 2  o 142.6107 47.37839 6.557727       3.713027  4.272099       5.062679  9.218193       5.462060  123.4850 51.76328 157.8208 57.16216 -34.33582      77.11647 
1 1 1 -38 12 3  o 75.03171 35.75919 -2.771013      3.491797  -1.966938      4.835155  -3.647444      5.048014  91.37776 43.11343 87.47587 42.03841 3.901894       60.21624 
1 1 1 -38 12 4  o 104.1659 39.31908 2.933308       2.631513  1.839751       5.186818  3.312357       3.053712  109.0246 48.87784 109.2999 42.08794 -0.2752838     64.50146 
1 1 1 -38 12 5  o 104.9504 38.19653 3.097979       2.443112  3.304673       5.123952  3.037163       2.779389  115.1226 50.21919 105.1355 40.23384 9.987091       64.34850 
1 1 1 -38 12 6  o 136.5304 38.46475 5.675899       2.575986  6.220151       4.983475  5.477458       3.009180  131.3650 52.77140 130.8528 42.61287 0.5122223      67.82829 
1 1 1 -38 12 7  o 198.3579 31.96089 11.05013       2.880875  15.38255       5.057080  8.968660       3.505257  207.9580 51.86956 165.4160 44.20338 42.54193       68.14976 
1 1 1 -38 12 8  o 144.0957 39.46065 6.556838       2.753332  4.909194       3.729101  8.531510       4.082443  119.9452 46.41947 151.7798 49.64376 -31.83466      67.96522 
1 1 1 -38 12 9  o 307.2197 25.10851 25.13145       3.596884  21.46259       4.927469  29.31629       5.262577  259.4796 41.78830 313.0149 36.42176 -53.53528      55.43291 
1 1 1 -38 12 10 o 67.96216 31.64832 -0.9172884     2.464285  -2.323170      3.136545  1.350178       3.983342  69.32476 33.26793 93.23666 42.22316 -23.91190      53.75454 
1 1 1 -38 12 11 o 123.5888 40.61380 5.308020       2.731172  6.526265       3.662118  3.781213       4.099747  128.5244 46.76648 105.6040 45.49556 22.92036       65.24530 
1 1 1 -38 12 12 o 73.20740 33.65987 -0.9867357E-01 2.659107  1.338402       3.327051  -2.640012      4.424365  86.57753 38.95375 77.52654 37.75193 9.050987       54.24577 
1 1 1 -38 12 13 o 76.81943 35.19409 0.4171230      2.871542  -0.4830777     3.402697  2.644471       5.352388  76.32367 36.05833 96.57530 45.50348 -20.25163      58.05833 
1 1 1 -38 12 14 o 132.1054 44.64569 7.436175       3.296107  9.126041       4.129101  4.467896       5.472448  135.3749 49.59784 99.84247 46.71473 35.53247       68.13377 
1 1 1 -38 12 15 f 117.2408 45.46296 6.772427       3.582486  14.35493       4.688340  -3.867420      5.553673  164.7312 53.15268 75.39514 37.68982 89.33604       65.15926 
1 1 1 -38 12 16 o 86.38274 40.37093 2.819263       4.067321  2.819263       4.067321  0.000000       0.000000  86.38274 40.37093 ?        ?        0.000000       40.37093 
1 1 1 -38 14 1  o 104.6952 43.79837 2.421839       3.613533  0.7947659      4.654619  4.890012       5.732824  101.5187 45.83799 127.1248 54.25959 -25.60610      71.02975 
1 1 1 -38 14 2  o 91.03392 40.25470 0.6968130      3.396230  -0.7775586     4.235987  3.350179       5.682633  90.58904 41.94720 118.2169 52.18293 -27.62785      66.95242 
1 1 1 -38 14 3  o 86.10264 36.00237 1.263630       2.439902  3.915993       4.227356  -0.6130930E-01 2.987791  116.5701 47.93940 81.97109 36.89463 34.59896       60.49297 
1 1 1 -38 14 4  o 149.4534 37.20662 6.643505       2.605568  3.229772       4.487882  8.379246       3.200141  111.8676 47.88422 164.2871 41.41962 -52.41952      63.31258 
1 1 1 -38 14 5  o 162.3797 35.16725 7.686755       2.608448  5.150599       4.566751  8.914833       3.177843  123.4261 50.18376 169.9593 40.35094 -46.53323      64.39417 
1 1 1 -38 14 6  o 99.37997 38.27285 2.731537       2.525435  4.449900       4.533139  1.958197       3.041074  117.2410 49.05215 94.84081 39.95579 22.40021       63.26594 
1 1 1 -38 14 7  o 76.00459 34.25098 -0.7529160E-02 2.584155  6.091721       4.202540  -3.715815      3.276878  127.9982 49.35002 66.83867 32.53476 61.15949       59.10952 
1 1 1 -38 14 8  o 60.37718 28.99318 -2.294219      2.390956  -4.691722      3.332606  0.2487812      3.432239  63.91148 31.45833 84.81633 38.71362 -20.90485      49.88357 
1 1 1 -38 14 9  o 151.8699 38.63188 7.433331       2.766387  6.070956       3.404030  10.08323       4.747447  128.1976 45.27579 152.4106 53.50113 -24.21298      70.08758 
1 1 1 -38 14 10 o 200.8681 30.58508 11.69651       2.798705  10.34973       3.382560  14.61950       4.983236  174.4200 41.77729 186.1625 53.84527 -11.74249      68.15171 
1 1 1 -38 14 11 o 181.8769 36.40246 10.55118       3.005736  14.48702       3.843221  4.351962       4.823311  206.7853 40.95853 106.3161 47.43599 100.4692       62.67195 
1 1 1 -38 14 12 o 150.7864 41.68680 8.321000       3.055780  9.664734       3.680404  5.338883       5.482786  153.8363 46.73530 107.2061 48.93200 46.63023       67.66483 
1 1 1 -38 14 13 o 121.6809 42.40820 6.027377       2.980313  7.372183       3.481479  2.338882       5.765786  129.0080 45.76368 93.41380 44.90094 35.59422       64.11246 
1 1 1 -38 14 14 o 280.8127 32.42506 25.26082       4.204446  25.69560       5.383378  24.58086       6.732235  249.1691 47.66627 190.6203 63.80858 58.54875       79.64677 
1 1 1 -38 16 1  o 83.36646 38.18121 -0.4667078     3.375922  -1.939131      4.262586  2.010999       5.529448  85.13636 40.26332 109.7682 49.72501 -24.63189      63.98212 
1 1 1 -38 16 2  o 103.0098 42.92231 2.582263       3.450920  4.921784       4.424577  -1.051130      5.513972  122.5046 49.54359 97.16898 45.90494 25.33558       67.54132 
1 1 1 -38 16 3  o 97.16367 38.35548 2.436744       2.587811  3.070093       4.494772  2.122711       3.164999  109.6406 47.43456 97.45071 40.89290 12.18989       62.62801 
1 1 1 -38 16 4  o 110.2729 40.48402 3.718338       2.753056  3.045011       4.834764  4.041425       3.349053  109.5682 48.26086 113.4303 43.96477 -3.862167      65.28409 
1 1 1 -38 16 5  o 231.5990 34.99503 15.66386       3.693631  0.000000       0.000000  15.66386       3.693631  ?        ?        231.5990 34.99503 0.000000       34.99503 
1 1 1 -38 16 6  o 109.0424 40.60044 3.766501       2.786518  7.515258       4.632220  1.640716       3.488232  135.9627 51.96256 93.67128 41.13268 42.29144       66.27221 
1 1 1 -38 16 7  o 120.6272 41.34236 4.928022       2.826781  1.692852       3.438215  11.67658       4.965808  92.71251 40.77119 165.2680 54.78578 -72.55547      68.29181 
1 1 1 -38 16 8  o 117.0546 40.83620 4.704657       2.763786  5.618214       3.576378  3.350179       4.354732  121.7888 45.86787 104.3796 45.89370 17.40919       64.88522 
1 1 1 -38 16 9  o 231.2132 29.49083 15.33783       3.134471  12.62476       3.770903  21.40309       5.638193  190.9663 43.01151 231.5837 52.91370 -40.61740      68.18980 
1 1 1 -38 16 10 o 232.6458 32.84033 16.41786       3.494009  17.20310       4.398088  15.07432       5.752920  219.6906 44.09090 167.4793 58.88898 52.21133       73.56575 
1 1 1 -38 16 11 o 253.5821 56.25853 28.77824       6.535303  0.000000       0.000000  28.77824       6.535303  ?        ?        253.5821 56.25853 0.000000       56.25853 
1 1 1 -38 18 1  o 116.3706 47.52065 4.377086       4.117363  1.488704       5.941801  7.045185       5.710731  106.4818 49.43811 132.2895 55.17695 -25.80775      74.08524 
1 1 1 -38 18 2  o 197.2909 42.30815 12.40851       3.808623  8.826092       4.810319  18.42747       6.235147  147.8976 53.63195 210.3848 60.04370 -62.48723      80.50858 
1 1 1 -38 18 3  o 137.4944 44.15809 6.498271       3.238719  1.495880       4.443594  12.16706       4.730323  98.48849 44.59918 177.7639 52.75609 -79.27537      69.08178 
1 1 1 -38 18 4  o 156.4402 37.67874 7.615189       2.739754  8.977256       4.472845  6.797272       3.466082  149.1497 51.95463 137.5640 45.77932 11.58575       69.24615 
1 1 1 -38 18 5  o 107.9220 44.09241 3.793378       3.546921  9.213369       4.642688  -3.804994      5.497060  147.4903 52.79099 84.64197 41.40270 62.84834       67.09003 
1 1 1 -38 18 6  o 131.6133 52.03051 7.634752       4.768526  7.634752       4.768526  0.000000       0.000000  131.6133 52.03051 ?        ?        0.000000       52.03051 
1 1 1 -38 18 7  f 82.92410 36.86895 0.9935900      2.886915  2.562684       3.554665  -2.046671      4.947999  96.59480 41.98652 83.95642 40.65738 12.63837       58.44562 
1 1 1 -37 1  1  o 248.7929 35.19293 16.56385       4.003799  17.04080       5.609488  16.06852       5.716482  236.5064 51.85039 226.6602 54.32331 9.846191       75.09650 
1 1 1 -37 1  2  o 133.5321 45.66401 5.137805       3.448581  7.385773       4.925412  2.976043       4.830048  153.0837 54.41899 120.3097 50.50267 32.77396       74.24249 
1 1 1 -37 1  3  o 80.89667 37.45066 -1.606840      3.373699  1.177966       4.836109  -4.246849      4.708704  109.4457 48.23409 85.40384 40.92501 24.04191       63.25650 
1 1 1 -37 1  4  o 224.4283 34.23361 13.57128       3.499678  5.420089       4.752144  23.23093       5.173204  135.7114 52.43477 289.4193 38.99040 -153.7079      65.34261 
1 1 1 -37 1  5  o 149.8425 44.21079 6.724844       3.329880  6.508422       5.045999  6.891792       4.431868  143.2447 54.35592 147.2482 51.69217 -4.003540      75.01097 
1 1 1 -37 1  6  o 162.2044 49.86640 8.422771       4.174091  5.208086       5.727934  12.06302       6.095291  133.9181 55.50757 181.5467 60.71537 -47.62866      82.26449 
1 1 1 -37 1  7  o 74.10356 36.20795 -5.608960      4.169742  -10.39536      6.031050  -1.225922      5.771330  80.99171 40.29397 102.9414 48.10294 -21.94973      62.74947 
1 1 1 -37 1  8  o 365.9338 29.14192 35.23482       4.974795  35.23482       4.974795  0.000000       0.000000  365.9338 29.14192 ?        ?        0.000000       29.14192 
1 1 1 -37 1  9  o 235.2918 22.58502 14.06571       2.469036  13.33826       3.684320  14.65874       3.326518  215.8631 37.65288 232.8582 31.14950 -16.99507      48.86749 
1 1 1 -37 1  10 o 225.4304 25.06662 13.20340       2.613127  12.06327       3.477649  14.68193       3.960243  204.1004 37.60768 224.0376 38.99432 -19.93715      54.17466 
1 1 1 -37 1  11 o 83.10638 34.65553 1.168029       2.252101  0.9360673      3.336049  1.362259       3.052685  91.14722 40.12003 91.80198 39.39901 -0.6547546     56.23077 
1 1 1 -37 1  12 o 203.5457 28.34667 11.23586       2.640475  9.756658       3.694071  12.78112       3.775656  171.9434 45.10917 203.7799 40.81081 -31.83655      60.83059 
1 1 1 -37 1  13 o 155.5766 34.47351 7.142197       2.456533  5.567322       3.536699  8.610243       3.414639  126.2607 45.95626 160.4586 43.94609 -34.19789      63.58645 
1 1 1 -37 1  14 o 272.9089 33.79998 21.78823       4.246315  21.78823       4.246315  0.000000       0.000000  272.9089 33.79998 ?        ?        0.000000       33.79998 
1 1 1 -37 1  15 o 86.88554 36.42405 1.769908       2.507071  0.6917361      3.585663  2.801130       3.506723  86.59605 39.54284 98.96336 42.34319 -12.36731      57.93601 
1 1 1 -37 1  16 o 144.9785 40.25035 7.280259       2.842388  7.916172       3.904897  6.563615       4.145359  136.7177 48.47014 122.8050 48.52336 13.91266       68.58477 
1 1 1 -37 1  17 o 195.9350 39.70001 13.14741       3.533720  15.27051       4.915674  10.87693       5.083416  182.3707 53.69017 141.1046 54.31173 41.26605       76.37014 
1 1 1 -37 1  18 o 174.0907 47.03486 12.68223       3.942951  13.97741       5.620214  11.42687       5.533154  147.1039 56.97100 131.7247 54.57351 15.37927       78.89210 
1 1 1 -37 1  19 o 88.98179 40.52545 2.981103       3.734904  5.282403       5.284882  0.6848990      5.279028  97.36871 45.66851 83.24051 40.68674 14.12820       61.16391 
1 1 1 -37 3  1  o 86.84262 39.47991 -0.8885273     3.524418  1.021537       5.181623  -2.532997      4.807892  111.9331 49.59793 93.04483 43.61442 18.88825       66.04675 
1 1 1 -37 3  2  o 104.8052 43.57753 1.920532       3.546297  0.7887768      5.104349  2.976553       4.930606  109.7866 48.90498 120.7630 50.87652 -10.97646      70.56995 
1 1 1 -37 3  3  o 133.9187 46.24889 5.230710       3.540691  -2.203831      5.142326  11.93258       4.882368  96.72275 45.26419 194.4999 52.25080 -97.77715      69.13027 
1 1 1 -37 3  4  o 372.2533 24.34155 34.87120       4.238949  43.09048       6.846067  29.76082       5.398222  397.6312 37.02651 332.4951 35.04174 65.13614       50.97927 
1 1 1 -37 3  5  o 180.4490 38.47538 9.195696       3.166181  6.028538       6.460398  10.19689       3.632310  140.8700 58.71555 187.0737 42.27197 -46.20370      72.34940 
1 1 1 -37 3  6  o 176.7680 51.00476 10.09929       4.476189  15.20214       6.577945  5.698574       6.108648  202.5051 62.65677 137.2807 57.14658 65.22432       84.80331 
1 1 1 -37 3  7  o 122.3789 48.90425 4.152113       4.255337  2.436385       6.362128  5.541023       5.724205  120.5544 54.08393 134.4886 55.59586 -13.93421      77.56270 
1 1 1 -37 3  8  o 65.66724 30.60759 -1.446168      2.313284  -4.042235      3.780058  0.1082039      2.924948  74.18253 35.82667 83.63425 37.15131 -9.451714      51.61172 
1 1 1 -37 3  9  o 427.4128 26.83382 47.53270       5.367723  0.000000       0.000000  47.53270       5.367723  ?        ?        427.4128 26.83382 0.000000       26.83382 
1 1 1 -37 3  10 o 180.0605 29.77270 8.792387       2.433642  9.113126       3.255043  8.385851       3.664629  173.7702 40.55977 160.6123 46.09399 13.15791       61.39830 
1 1 1 -37 3  11 o 163.6796 30.55105 7.402178       2.265768  11.66810       3.075087  2.335613       3.351256  203.7493 33.22980 100.9446 42.19981 102.8046       53.71260 
1 1 1 -37 3  12 o 94.58181 35.91542 2.376884       2.203985  3.328632       3.286334  1.598892       2.971241  107.4862 42.96843 91.92081 39.14388 15.56543       58.12512 
1 1 1 -37 3  13 o 253.8194 23.23994 16.82262       2.743981  13.86609       3.774987  20.13472       3.995548  212.3598 39.23502 265.7694 32.64609 -53.40962      51.04071 
1 1 1 -37 3  14 o 107.4454 37.33144 3.614374       2.308613  5.325321       3.166473  1.672904       3.373052  123.2508 43.65250 92.44090 40.52361 30.80994       59.56260 
1 1 1 -37 3  15 o 103.3048 38.24006 3.432164       2.464817  2.942034       3.581924  3.872988       3.396979  99.86891 42.76441 106.6337 43.31065 -6.764832      60.86548 
1 1 1 -37 3  16 o 194.0859 34.41907 11.64336       3.027344  7.476219       4.078953  16.75387       4.517122  130.3851 49.00832 213.5972 46.29332 -83.21214      67.41577 
1 1 1 -37 3  17 o 91.78666 39.78909 2.578495       3.175198  2.597206       4.232163  2.554400       4.802540  94.00986 42.94058 94.88485 44.18422 -0.8749924     61.61281 
1 1 1 -37 3  18 o 60.86533 30.12300 -3.907746      3.204425  -0.6914388     4.281828  -8.002378      4.831233  78.51107 37.97036 65.41097 33.01652 13.10010       50.31738 
1 1 1 -37 3  20 o 77.62537 38.69512 -0.4209275     5.676579  -0.4209275     5.676579  0.000000       0.000000  77.62537 38.69512 ?        ?        0.000000       38.69512 
1 1 1 -37 5  1  f 179.5105 54.75951 10.34916       5.045161  13.42457       5.961136  2.584424       9.471999  200.3460 59.16499 138.6354 63.66339 61.71056       86.91101 
1 1 1 -37 5  2  o 200.4301 41.49982 11.40107       3.783897  14.76093       5.977826  9.154853       4.887741  210.8430 58.31171 168.5727 54.25859 42.27025       79.65079 
1 1 1 -37 5  3  o 96.69086 42.94943 0.2682161      3.908779  0.9031378      5.412441  -0.4239002     5.650966  111.8289 50.04678 107.6668 49.34295 4.162109       70.28091 
1 1 1 -37 5  4  o 77.94163 35.48711 -0.8741575     2.861323  0.3641106      5.245646  -1.398632      3.413925  107.6073 48.61734 82.08168 37.88437 25.52557       61.63498 
1 1 1 -37 5  5  o 83.37547 36.83598 0.6565742E-01  2.837792  1.236029       5.752630  -0.3107479     3.262365  114.0772 51.28397 85.94093 38.62912 28.13622       64.20479 
1 1 1 -37 5  6  o 172.3400 50.84217 9.627287       4.403972  11.79846       6.523495  7.809156       5.969612  176.0384 62.62288 150.0212 58.54401 26.01721       85.72647 
1 1 1 -37 5  7  o 280.2220 37.80293 22.05698       4.855894  34.51249       7.583439  13.40071       6.321948  332.4684 50.04029 187.6973 61.79621 144.7711       79.51605 
1 1 1 -37 5  8  f 105.0694 36.96503 3.014090       2.266940  -0.4768814E-01 3.663164  4.914453       2.885943  90.20541 40.70299 128.0005 41.73348 -37.79507      58.29594 
1 1 1 -37 5  9  o 369.1708 19.03100 33.81891       3.293656  32.41220       4.449965  35.52319       4.898078  352.2004 27.06657 366.6468 28.62630 -14.44635      39.39625 
1 1 1 -37 5  10 o 184.7536 30.09213 9.290397       2.525236  11.68645       3.527480  6.771701       3.616635  198.8970 39.09613 143.0016 46.72355 55.89539       60.92287 
1 1 1 -37 5  11 o 58.23735 27.41398 -1.484240      1.934288  -1.235018      2.620248  -1.782699      2.867426  70.19178 32.66919 70.63122 33.28731 -0.4394379     46.64034 
1 1 1 -37 5  12 o 138.6142 34.98422 5.695218       2.281256  5.909146       3.084690  5.436980       3.389124  133.7856 43.10872 126.8799 45.13721 6.905647       62.41578 
1 1 1 -37 5  13 o 74.04532 34.66916 -1.189810      3.023274  -0.8311535     10.02684  -1.225678      3.170844  110.1136 54.27066 75.47223 35.39072 34.64138       64.79050 
1 1 1 -37 5  14 o 352.7095 20.04193 31.86991       3.311538  37.24733       5.043526  27.79480       4.390529  364.2452 29.69388 313.7963 30.11386 50.44888       42.29151 
1 1 1 -37 5  15 o 222.4105 28.34901 13.95148       2.898499  13.93876       4.045375  13.96490       4.155017  200.1453 44.15283 197.9968 45.55810 2.148438       63.44299 
1 1 1 -37 5  16 o 135.5210 44.34073 7.122449       3.256738  4.696790       4.358984  10.18728       4.899745  107.9054 46.69817 142.3938 53.67553 -34.48843      71.14620 
1 1 1 -37 5  17 o 157.2424 44.34544 9.661538       3.422031  6.917361       4.528497  13.31451       5.224816  116.9354 48.98391 155.2507 55.95668 -38.31539      74.36782 
1 1 1 -37 5  18 o 88.97812 39.61918 2.627759       3.346231  1.755351       4.454720  3.757432       5.069171  86.97691 41.14201 95.14297 44.65723 -8.166054      60.72012 
1 1 1 -37 5  19 o 68.12183 34.37260 -6.239596      5.209102  -6.239596      5.209102  0.000000       0.000000  68.12183 34.37260 ?        ?        0.000000       34.37260 
1 1 1 -37 5  20 o 89.26449 43.30523 5.142688       5.676631  5.142688       5.676631  0.000000       0.000000  89.26449 43.30523 ?        ?        0.000000       43.30523 
1 1 1 -37 7  1  o 152.8839 47.94814 7.050416       3.837444  3.204519       6.302153  9.316602       4.837688  128.6046 55.90284 170.6674 53.88020 -42.06282      77.64149 
1 1 1 -37 7  2  o 312.4161 29.70466 25.27894       4.312898  26.00178       7.163753  24.86798       5.401503  288.0385 54.87514 300.1593 39.19094 -12.12073      67.43301 
1 1 1 -37 7  3  f 129.1790 44.53643 4.806176       3.282670  -4.259810      5.873724  8.924006       3.958588  95.78664 45.84962 171.0488 47.50486 -75.26220      66.02197 
1 1 1 -37 7  4  o 77.83789 35.49226 -0.9066212     2.875566  4.744352       5.817917  -2.733382      3.307857  132.7358 55.55564 74.41762 35.27483 58.31821       65.80838 
1 1 1 -37 7  5  o 209.6570 38.99219 12.42342       3.703995  0.000000       0.000000  12.42342       3.703995  ?        ?        209.6570 38.99219 0.000000       38.99219 
1 1 1 -37 7  6  o 115.6125 47.95507 3.152939       4.279738  4.976219       6.398500  1.676873       5.757109  133.0578 57.07093 114.8376 51.48862 18.22016       76.86462 
1 1 1 -37 7  7  f 83.57802 39.43378 -2.350103      4.045214  1.998811       5.924896  -6.147444      5.536434  116.0036 52.10689 85.67915 41.83324 30.32449       66.82176 
1 1 1 -37 7  8  o 89.54934 36.02886 1.633189       2.326829  -1.596159      3.742401  3.668252       2.970858  83.08349 38.79398 113.7032 42.00361 -30.61969      57.17759 
1 1 1 -37 7  9  o 308.6487 20.14895 23.84502       2.909356  21.30247       3.852989  27.21760       4.437562  282.2893 29.44933 318.6469 29.95670 -36.35757      42.00793 
1 1 1 -37 7  10 o 268.7499 21.58711 18.34086       2.706027  19.18115       3.502045  17.09572       4.262985  268.1479 28.18558 241.0028 38.93000 27.14510       48.06216 
1 1 1 -37 7  11 o 145.4457 32.76517 6.049901       2.187912  4.749523       2.962605  7.609989       3.244990  122.1689 42.29874 153.4361 43.15191 -31.26718      60.42574 
1 1 1 -37 7  12 o 147.8239 34.11687 6.417780       2.324213  8.331475       3.022837  3.650416       3.635060  163.2465 39.73816 109.8492 44.73053 53.39730       59.83261 
1 1 1 -37 7  13 o 142.1018 33.31023 5.976893       2.187871  3.144579       2.764410  10.72533       3.579373  102.4779 39.88112 180.2899 42.83822 -77.81204      58.52877 
1 1 1 -37 7  14 o 125.8592 39.48014 5.285616       2.601551  8.308562       3.838137  2.716367       3.538412  146.4440 48.14694 99.05225 42.46166 47.39170       64.19595 
1 1 1 -37 7  15 o 82.45898 35.86599 1.275361       2.597277  5.885851       3.543486  -4.077352      3.818072  122.1073 45.72113 69.11523 33.95073 52.99208       56.94800 
1 1 1 -37 7  16 o 84.43213 37.16629 1.549384       2.863254  1.024079       3.604274  2.447979       4.714044  85.21371 39.18311 95.63529 44.27225 -10.42158      59.12147 
1 1 1 -37 7  17 o 170.5191 43.47795 11.12403       3.498162  15.61237       4.835309  6.195006       5.067124  182.0330 53.15256 108.6090 48.52780 73.42406       71.97320 
1 1 1 -37 7  18 o 252.4507 35.53828 21.53724       4.103471  17.93401       5.451301  26.24852       6.233381  175.1497 57.36983 220.4380 58.96325 -45.28831      82.26762 
1 1 1 -37 7  19 o 83.07333 40.62516 1.544590       5.282588  1.544590       5.282588  0.000000       0.000000  83.07333 40.62516 ?        ?        0.000000       40.62516 
1 1 1 -37 7  20 o 115.1336 53.19851 16.37039       6.759624  16.37039       6.759624  0.000000       0.000000  115.1336 53.19851 ?        ?        0.000000       53.19851 
1 1 1 -37 9  1  o 393.6102 25.26710 39.04127       4.653615  36.35553       7.682427  40.59794       5.848774  351.9972 47.61943 393.8656 31.84034 -41.86844      57.28366 
1 1 1 -37 9  2  o 223.5195 34.87237 13.50063       3.546931  14.75624       6.277497  12.91179       4.298919  206.2630 60.65869 209.8382 44.90842 -3.575256      75.47346 
1 1 1 -37 9  3  f 339.9542 24.00722 29.07549       3.814437  23.54935       7.180561  31.24798       4.502215  266.1544 58.91039 348.8255 27.66472 -82.67108      65.08279 
1 1 1 -37 9  4  o 91.26804 38.02071 1.287981       2.706836  2.472057       5.545010  0.9175445      3.101483  118.7979 52.02063 92.25925 39.65721 26.53867       65.41284 
1 1 1 -37 9  5  o 72.58953 33.53609 -1.290663      2.684911  2.634067       5.674754  -2.422627      3.047603  119.3233 52.42865 71.91309 34.02044 47.41021       62.49922 
1 1 1 -37 9  6  f 158.4680 50.06548 8.211169       4.176330  11.29608       6.485380  6.025565       5.458837  170.5228 62.20673 136.9939 55.16099 33.52893       83.14092 
1 1 1 -37 9  7  o 243.3098 25.41293 15.27132       2.865676  12.69178       5.058034  16.49075       3.477674  192.5832 53.77375 248.4005 30.39657 -55.81729      61.77028 
1 1 1 -37 9  8  o 281.1303 22.70879 20.07961       2.977472  15.57692       4.219521  24.54519       4.202096  230.1487 40.45133 303.1032 29.85954 -72.95451      50.27825 
1 1 1 -37 9  9  o 154.8083 32.11274 6.690313       2.261848  4.225013       3.067351  9.628419       3.348592  118.0697 42.82530 178.3301 40.80185 -60.26033      59.15063 
1 1 1 -37 9  10 o 123.0769 35.49424 4.468242       2.168225  7.172553       3.135348  1.989596       3.001682  150.1142 42.48658 96.01817 40.02197 54.09607       58.36838 
1 1 1 -37 9  11 o 145.4625 35.71656 6.299777       2.426011  6.639954       3.337260  5.918550       3.532886  140.2508 44.80188 131.2131 46.14758 9.037704       64.31802 
1 1 1 -37 9  12 o 73.70579 31.96868 0.5278974      2.051960  0.4996533E-02  2.697162  1.246433       3.161706  77.21577 34.87618 89.47884 39.22912 -12.26307      52.49068 
1 1 1 -37 9  13 o 170.1786 31.91958 8.409155       2.461371  10.25926       3.146834  5.493461       3.950454  181.1744 38.13074 121.0344 47.51326 60.14001       60.92178 
1 1 1 -37 9  14 o 154.0058 36.72541 7.522093       2.623154  8.565880       3.260389  5.606421       4.416965  156.1799 43.01143 117.5023 48.72664 38.67770       64.99437 
1 1 1 -37 9  15 o 207.8753 30.76524 12.74082       2.917522  13.02319       4.100564  12.45133       4.151915  185.0816 47.00880 177.8422 48.35600 7.239426       67.43983 
1 1 1 -37 9  16 o 203.2858 36.84669 13.58246       3.393760  9.033889       4.136955  22.94293       5.934611  138.3444 49.79938 222.1688 56.62036 -83.82443      75.40453 
1 1 1 -37 9  17 o 188.6776 44.86628 14.05738       3.923851  14.27170       4.981109  13.70690       6.369892  161.6401 54.88227 133.3400 57.06077 28.30011       79.17067 
1 1 1 -37 9  18 o 102.4633 46.73196 6.420928       4.988949  6.420928       4.988949  0.000000       0.000000  102.4633 46.73196 ?        ?        0.000000       46.73196 
1 1 1 -37 9  19 f 139.8902 57.96083 18.43341       6.242015  18.43341       6.242015  0.000000       0.000000  139.8902 57.96083 ?        ?        0.000000       57.96083 
1 1 1 -37 9  20 o 81.47147 40.41602 3.418550       5.896067  3.418550       5.896067  0.000000       0.000000  81.47147 40.41602 ?        ?        0.000000       40.41602 
1 1 1 -37 11 1  o 138.6066 42.98170 5.619114       3.093481  3.618929       5.581125  6.506122       3.716638  126.3025 53.71342 146.3830 47.33470 -20.08049      71.59403 
1 1 1 -37 11 2  o 337.3234 23.43109 28.55634       3.694924  17.05113       7.185059  32.69287       4.308248  213.8355 65.37251 358.7736 25.69785 -144.9381      70.24204 
1 1 1 -37 11 3  o 139.8631 41.46618 5.737796       2.923457  2.523484       5.927872  6.770826       3.360557  120.7613 53.30201 149.8355 44.46624 -29.07426      69.41434 
1 1 1 -37 11 4  o 152.5632 40.14819 6.793809       2.920378  -0.2439655     6.119902  8.868943       3.323149  109.3337 50.55375 174.0877 41.21788 -64.75397      65.22726 
1 1 1 -37 11 5  o 95.30843 42.65062 0.3235012      3.930225  -1.117123      5.648331  1.675684       5.472208  102.2538 47.71638 112.7615 50.40333 -10.50767      69.40712 
1 1 1 -37 11 6  o 277.6729 32.52200 20.89798       4.167493  16.13830       5.466599  27.50298       6.439681  219.7205 53.41074 298.6543 47.42314 -78.93379      71.42591 
1 1 1 -37 11 7  o 67.96351 31.66886 -1.422826      2.473675  0.5962270      4.665771  -2.212247      2.917454  100.9034 45.69595 70.22851 33.24215 30.67493       56.50805 
1 1 1 -37 11 8  o 157.9359 35.54371 7.182215       2.576889  3.797453       3.705019  10.35375       3.586418  114.9854 45.73412 183.7331 42.36248 -68.74766      62.33931 
1 1 1 -37 11 9  o 317.2891 20.15339 25.33228       2.992360  23.82955       4.025625  27.18787       4.473372  297.4458 29.14554 316.0051 30.47109 -18.55933      42.16574 
1 1 1 -37 11 10 o 268.7074 22.55702 18.59627       2.824839  19.60958       3.780751  17.31570       4.250176  266.5554 30.71419 240.3307 38.92612 26.22470       49.58432 
1 1 1 -37 11 11 o 343.7160 19.60355 29.89537       3.156462  31.70191       4.078366  27.19679       4.984593  346.1582 25.21968 304.9259 35.41019 41.23233       43.47314 
1 1 1 -37 11 12 o 209.8275 26.73496 11.99035       2.578877  12.22091       3.208526  11.56956       4.334560  202.8112 34.88949 175.6084 50.04371 27.20274       61.00533 
1 1 1 -37 11 13 o 109.6249 39.01189 3.959808       2.531902  5.442452       3.134732  1.177467       4.294249  122.8565 43.44169 93.15211 42.80971 29.70441       60.99059 
1 1 1 -37 11 14 o 66.55227 30.97560 -0.7261347     2.355723  -1.114674      2.737264  0.3834721      4.625769  68.92008 32.49365 89.35271 42.16151 -20.43263      53.22997 
1 1 1 -37 11 15 o 225.5002 29.32669 14.89622       3.037228  16.90710       3.633066  10.22890       5.534954  232.5652 34.23342 132.9125 54.78031 99.65274       64.59729 
1 1 1 -37 11 16 o 87.43737 38.84692 2.155096       3.199273  0.8350179      3.913271  4.815696       5.555588  83.30891 39.14560 101.4703 47.34145 -18.16142      61.42956 
1 1 1 -37 11 17 o 95.38866 42.01235 3.882606       3.663233  9.081451       4.769740  -3.593936      5.719942  120.9939 50.44278 76.58250 38.27837 44.41142       63.32226 
1 1 1 -37 11 18 o 220.2092 56.97054 26.68252       5.946197  26.68252       5.946197  0.000000       0.000000  220.2092 56.97054 ?        ?        0.000000       56.97054 
1 1 1 -37 13 1  o 119.5636 40.67455 4.030482       2.735997  12.28470       5.262548  0.9729699      3.202892  191.4705 55.32019 93.62348 40.27359 97.84702       68.42722 
1 1 1 -37 13 2  o 59.08230 28.80660 -3.934140      2.599214  -1.967446      4.962463  -4.677661      3.051234  94.58781 44.32883 63.19985 30.89986 31.38796       54.03561 
1 1 1 -37 13 3  o 146.1346 37.80050 6.134226       2.618062  3.760266       4.897625  7.083983       3.097813  121.9119 50.99447 154.3772 41.68280 -32.46523      65.86267 
1 1 1 -37 13 4  o 192.3419 30.07035 9.882583       2.631623  7.053330       5.309672  10.80390       3.029956  143.6860 55.45064 198.3909 33.67104 -54.70490      64.87305 
1 1 1 -37 13 5  o 333.5988 29.65355 29.49967       4.604882  28.60465       6.108581  30.67777       7.008313  310.5720 42.96338 311.9789 49.40055 -1.406891      65.46958 
1 1 1 -37 13 6  o 100.5294 42.97503 1.827767       3.606376  6.312013       5.001399  -3.029132      5.205067  135.9320 53.42921 90.63235 43.32260 45.29967       68.78610 
1 1 1 -37 13 7  o 163.1925 36.90141 7.770068       2.766349  5.799933       3.907219  9.750299       3.917218  132.2323 48.27709 172.6114 46.98426 -40.37910      67.36615 
1 1 1 -37 13 8  o 252.2332 25.13969 16.62605       2.943110  15.90614       3.939188  17.53567       4.427918  233.9940 37.01938 241.6780 40.37296 -7.684067      54.77600 
1 1 1 -37 13 9  o 93.92532 37.09211 2.213877       2.421052  1.662912       3.222621  2.927765       3.668274  94.19955 40.45584 105.5911 44.14719 -11.39151      59.88030 
1 1 1 -37 13 10 o 289.3184 24.90938 22.10771       3.357017  28.81557       4.506979  13.74852       5.031250  322.7766 30.02781 189.4022 53.89523 133.3745       61.69574 
1 1 1 -37 13 11 o 210.3015 29.70386 12.39513       2.856697  8.359845       3.450242  21.19204       5.094218  154.8779 44.80612 253.0970 44.40752 -98.21909      63.08419 
1 1 1 -37 13 12 o 81.03619 35.44218 0.9582477      2.567009  0.3396101      3.006719  2.621582       4.930198  80.65802 36.58995 102.3727 46.59962 -21.71463      59.24820 
1 1 1 -37 13 13 o 200.5641 31.16117 11.80939       2.844504  9.008582       3.276879  20.37158       5.729431  159.5377 42.78433 219.3568 55.48600 -59.81908      70.06564 
1 1 1 -37 13 14 o 149.8792 39.45675 7.778547       2.819963  6.480618       3.265276  11.58740       5.593600  127.4632 44.39127 142.3696 56.33026 -14.90643      71.71947 
1 1 1 -37 13 15 o 146.5798 42.59929 8.264747       3.112384  7.808570       3.596454  9.625446       6.211402  132.8718 46.57041 120.0748 53.68409 12.79699       71.06888 
1 1 1 -37 13 16 o 168.0275 42.14091 10.87449       3.324930  11.24349       3.808099  9.690845       6.820312  159.2382 47.35242 111.1248 52.04370 48.11344       70.36191 
1 1 1 -37 13 17 o 85.79137 40.58847 2.409334       4.339178  2.409334       4.339178  0.000000       0.000000  85.79137 40.58847 ?        ?        0.000000       40.58847 
1 1 1 -37 15 1  f 164.8383 40.84350 8.004977       3.150829  15.88882       6.761934  5.818460       3.561052  203.4400 63.62288 137.0524 46.40492 66.38765       78.74825 
1 1 1 -37 15 2  o 82.05453 34.99585 0.7213485      2.381483  -0.5235510E-01 4.188871  1.090861       2.894839  95.22497 43.19428 90.49774 38.59000 4.727226       57.92179 
1 1 1 -37 15 3  o 169.9647 31.17017 7.854340       2.400271  8.117856       4.331401  7.737554       2.883510  155.0074 51.15623 163.2101 38.22912 -8.202621      63.86255 
1 1 1 -37 15 4  o 107.6760 43.11184 2.952350       3.314005  2.734645       4.336421  3.258026       5.138401  110.7613 47.23095 117.1130 50.69224 -6.351662      69.28540 
1 1 1 -37 15 5  o 110.2991 43.89875 3.299471       3.415658  8.120211       4.509749  -3.186683      5.231053  151.3854 52.20041 89.87371 43.08501 61.51167       67.68457 
1 1 1 -37 15 6  o 114.7625 38.46898 3.908596       2.446969  7.102762       4.477885  2.548681       2.921797  140.9947 51.65113 100.9444 40.45784 40.05029       65.61004 
1 1 1 -37 15 7  o 104.3387 38.01212 3.115409       2.420455  3.357668       3.426969  2.874257       3.419125  108.9458 43.76253 104.9977 43.13923 3.948036       61.45040 
1 1 1 -37 15 8  o 97.07851 38.03414 2.499845       2.527202  1.407616       3.441428  3.778240       3.723183  93.60911 40.98657 111.6914 45.35036 -18.08231      61.12737 
1 1 1 -37 15 9  o 93.64092 37.51049 2.252494       2.510120  2.058771       3.287077  2.523484       3.887737  96.02981 41.03941 101.9022 44.10096 -5.872406      60.24224 
1 1 1 -37 15 10 o 90.56751 37.03620 2.035884       2.505408  2.642701       3.116063  0.9262783      4.213682  98.44607 40.88398 93.23698 42.68515 5.209084       59.10602 
1 1 1 -37 15 11 o 166.6580 37.88654 8.825294       2.902893  8.812970       3.361105  8.861475       5.759090  158.5369 43.67489 133.6525 55.54934 24.88448       70.66275 
1 1 1 -37 15 12 f 106.8747 41.16452 3.979827       2.921761  0.4419651E-01  3.481691  13.35018       5.372309  81.46461 37.82998 164.9804 56.96930 -83.51582      68.38573 
1 1 1 -37 15 13 o 148.5573 38.91598 7.567822       2.752019  7.713032       3.225168  7.178954       5.277842  141.8725 43.86932 118.3290 51.29693 23.54342       67.49734 
1 1 1 -37 15 14 o 69.40879 32.61378 -0.5857138     2.716167  -1.054748      3.107100  0.9343045      5.593421  70.77915 33.73231 90.18467 43.56142 -19.40552      55.09506 
1 1 1 -37 15 15 o 214.3362 35.36514 15.28611       3.441289  15.49915       4.065093  14.74733       6.464761  198.5970 44.60432 136.0341 57.82969 62.56287       73.03300 
1 1 1 -37 17 1  o 101.7144 42.54042 2.143996       3.407702  10.75803       6.549164  -1.053981      3.990436  162.1839 61.83309 87.76702 40.66613 74.41688       74.00720 
1 1 1 -37 17 2  o 236.3591 25.20268 14.48719       2.758916  16.91000       4.782162  13.27850       3.377704  233.9384 45.09128 218.3678 33.98795 15.57059       56.46596 
1 1 1 -37 17 3  o 142.9479 52.38558 7.276365       4.606728  7.276365       4.606728  0.000000       0.000000  142.9479 52.38558 ?        ?        0.000000       52.38558 
1 1 1 -37 17 4  o 120.4631 45.28946 4.546062       3.483794  -1.416077      4.449403  13.99227       5.600534  88.93451 41.77362 191.1287 57.55958 -102.1942      71.12061 
1 1 1 -37 17 5  o 104.8758 43.33530 2.822981       3.475675  7.381197       4.476433  -4.096314      5.515255  141.7329 51.68502 87.84438 42.63213 53.88853       66.99880 
1 1 1 -37 17 6  o 127.8600 43.49700 5.378265       3.128880  4.091970       4.506437  6.575506       4.347641  115.4730 48.64291 133.8750 50.53768 -18.40200      70.14407 
1 1 1 -37 17 7  o 168.6868 38.45644 8.744359       2.983743  7.847385       3.727224  10.34483       4.978740  148.4872 47.33810 159.2113 54.85051 -10.72406      72.45325 
1 1 1 -37 17 8  o 193.2590 33.66718 10.89994       2.949431  7.815901       3.636263  16.83115       5.042751  147.1801 46.73950 215.8014 50.56055 -68.62128      68.85455 
1 1 1 -37 17 9  f 204.2116 32.47114 12.13722       3.014802  12.67300       3.657582  11.00178       5.324531  198.4601 40.54873 154.4190 56.36009 44.04108       69.43096 
1 1 1 -37 17 10 o 79.18032 35.27285 0.6527320      2.655633  -2.125786      3.048761  9.390607       5.406544  68.55962 32.87378 138.0266 55.13570 -69.46697      64.19214 
1 1 1 -37 17 11 o 164.6189 43.46978 9.738864       3.415976  7.900565       4.126337  13.74257       6.089584  134.4810 49.53412 155.3868 59.53260 -20.90584      77.44521 
1 1 1 -37 17 12 o 226.2210 33.03709 15.70796       3.411972  17.73060       4.219605  11.88764       5.799134  227.0943 41.00904 141.0988 56.84010 85.99557       70.08950 
1 1 1 -37 19 1  o 238.0591 26.14048 14.92077       2.879117  16.04340       6.518740  14.64871       3.209078  195.1700 62.64421 231.9900 30.11691 -36.82001      69.50774 
1 1 1 -37 19 2  o 180.8189 34.05082 9.329700       2.790017  4.129887       4.421418  12.77018       3.596477  116.9793 48.65036 207.6784 38.22273 -90.69911      61.86950 
1 1 1 -37 19 3  o 75.57195 34.31584 -0.3374838     2.652777  4.237936       4.213385  -3.342349      3.414508  116.5711 47.89064 70.55039 34.06698 46.02069       58.77136 
1 1 1 -37 19 4  o 106.5411 43.91553 3.175286       3.557569  9.215524       4.746740  -4.565993      5.373717  153.1835 53.51257 84.47231 41.23735 68.71121       67.55823 
1 1 1 -37 19 5  f 135.1621 43.12305 6.129257       3.092566  4.640513       4.827042  7.165797       4.027766  117.3608 49.93289 138.7469 49.22282 -21.38617      70.11547 
1 1 1 -37 19 6  o 106.0341 42.70501 3.428790       3.272690  0.9428644      4.573516  6.037457       4.685064  96.01447 44.14536 124.8770 50.80798 -28.86253      67.30724 
1 1 1 -37 19 7  o 86.12325 39.63036 0.2100939      3.696229  1.102259       5.820924  -0.3926873     4.784638  100.6754 47.44077 90.62582 42.79782 10.04955       63.89272 
1 1 1 -36 0  1  o 95.84708 58.07854 2.455899       4.842375  2.455899       4.842375  2.455899       4.842375  95.84708 58.07854 95.84708 58.07854 0.000000       0.000000 
1 1 1 -36 0  2  o 169.0698 64.26952 9.574212       4.805664  9.574212       4.805664  9.574212       4.805664  169.0698 64.26952 169.0698 64.26952 0.000000       0.000000 
1 1 1 -36 0  3  o 403.6959 32.01309 39.77615       5.991327  39.77615       5.991327  39.77615       5.991327  403.6959 32.01309 403.6959 32.01309 0.000000       0.000000 
1 1 1 -36 0  4  o 254.1243 47.63586 17.23166       5.108718  17.23166       5.108718  17.23166       5.108718  254.1243 47.63586 254.1243 47.63586 0.000000       0.000000 
1 1 1 -36 0  5  o 55.49740 39.06822 -4.291728      3.999017  -4.291728      3.999017  -4.291728      3.999017  55.49740 39.06822 55.49740 39.06822 0.000000       0.000000 
1 1 1 -36 0  6  o 144.2425 56.30427 6.988469       3.648762  6.988469       3.648762  6.988469       3.648762  144.2425 56.30427 144.2425 56.30427 0.000000       0.000000 
1 1 1 -36 0  7  o 223.9066 37.56577 13.02745       3.621958  13.02745       3.621958  13.02745       3.621958  223.9066 37.56577 223.9066 37.56577 0.000000       0.000000 
1 1 1 -36 0  8  o 65.26771 42.80823 -0.3096461     3.289546  -0.3096461     3.289546  -0.3096461     3.289546  65.26771 42.80823 65.26771 42.80823 0.000000       0.000000 
1 1 1 -36 0  9  o 113.5384 52.95335 4.657495       3.149266  4.657495       3.149266  4.657495       3.149266  113.5384 52.95335 113.5384 52.95335 0.000000       0.000000 
1 1 1 -36 0  10 o 498.9697 64.06537 66.23068       14.35725  66.23068       14.35725  66.23068       14.35725  498.9697 64.06537 498.9697 64.06537 0.000000       0.000000 
1 1 1 -36 0  11 o 48.18431 33.99421 -3.477388      3.079618  -3.477388      3.079618  -3.477388      3.079618  48.18431 33.99421 48.18431 33.99421 0.000000       0.000000 
1 1 1 -36 0  12 o 83.75162 49.01329 2.187195       3.230044  2.187195       3.230044  2.187195       3.230044  83.75162 49.01329 83.75162 49.01329 0.000000       0.000000 
1 1 1 -36 0  13 o 61.87023 41.12624 -0.6888498     3.200023  -0.6888498     3.200023  -0.6888498     3.200023  61.87023 41.12624 61.87023 41.12624 0.000000       0.000000 
1 1 1 -36 0  14 o 443.7336 26.51945 47.64183       5.490216  47.64183       5.490216  47.64183       5.490216  443.7336 26.51945 443.7336 26.51945 0.000000       0.000000 
1 1 1 -36 0  15 o 207.6472 50.60306 12.31694       4.282464  12.31694       4.282464  12.31694       4.282464  207.6472 50.60306 207.6472 50.60306 0.000000       0.000000 
1 1 1 -36 0  17 o 66.64857 44.85790 -1.226219      4.025080  -1.226219      4.025080  -1.226219      4.025080  66.64857 44.85790 66.64857 44.85790 0.000000       0.000000 
1 1 1 -36 0  18 o 368.0893 36.87563 34.24495       6.238038  34.24495       6.238038  34.24495       6.238038  368.0893 36.87563 368.0893 36.87563 0.000000       0.000000 
1 1 1 -36 0  19 o 185.3149 67.00641 11.86980       5.358045  11.86980       5.358045  11.86980       5.358045  185.3149 67.00641 185.3149 67.00641 0.000000       0.000000 
1 1 1 -36 0  20 f 88.50909 56.76307 1.413496       5.355134  1.413496       5.355134  1.413496       5.355134  88.50909 56.76307 88.50909 56.76307 0.000000       0.000000 
1 1 1 -36 2  1  o 124.7652 45.57132 4.054167       3.482079  5.322620       4.888638  2.747902       4.960967  139.8268 53.39522 122.2550 51.24382 17.57179       74.00661 
1 1 1 -36 2  2  o 128.5568 45.91997 4.465667       3.511088  5.753858       4.983076  3.195565       4.947968  142.8098 54.05799 124.5766 51.60914 18.23322       74.73801 
1 1 1 -36 2  3  o 139.4265 53.38997 5.419024       4.896162  5.419024       4.896162  0.000000       0.000000  139.4265 53.38997 ?        ?        0.000000       53.38997 
1 1 1 -36 2  4  o 82.53190 37.61098 -1.056992      3.223265  -1.254194      4.905457  -0.9071590     4.275891  99.62660 45.77401 95.21002 43.36170 4.416580       63.05155 
1 1 1 -36 2  5  o 176.0029 38.31097 8.593736       3.081814  7.946233       4.775462  9.055861       4.034356  158.8663 53.73839 173.6005 47.85976 -14.73424      71.96091 
1 1 1 -36 2  6  o 270.0888 25.45288 18.46474       3.195658  21.13438       4.997122  16.61753       4.156731  276.2086 39.59278 246.9721 36.91198 29.23659       54.13024 
1 1 1 -36 2  7  o 95.19928 37.33457 1.925866       2.436911  -0.7149698     3.526277  4.340038       3.371552  87.02903 39.53598 124.2490 44.92439 -37.21996      59.84391 
1 1 1 -36 2  8  o 55.94004 27.13481 -3.197791      2.226773  -5.163470      3.452756  -1.797987      2.913690  67.23259 32.87127 73.32388 34.23472 -6.091293      47.46089 
1 1 1 -36 2  9  o 331.0310 28.56696 28.54155       4.404811  28.54155       4.404811  0.000000       0.000000  331.0310 28.56696 ?        ?        0.000000       28.56696 
1 1 1 -36 2  10 o 107.8804 49.06580 0.7141978      5.451388  0.7141978      5.451388  0.000000       0.000000  107.8804 49.06580 ?        ?        0.000000       49.06580 
1 1 1 -36 2  11 o 197.6295 38.17753 11.25850       3.420713  0.2058561      11.02029  12.43696       3.598456  126.1502 60.98635 207.9274 38.19808 -81.77725      71.96130 
1 1 1 -36 2  12 o 243.1725 23.89550 15.21535       2.698077  14.45071       3.864891  15.94222       3.768258  223.1555 38.19108 238.4606 34.60404 -15.30511      51.53638 
1 1 1 -36 2  13 o 358.8023 19.68262 32.27585       3.309375  29.34194       4.555098  35.55564       4.816128  329.4280 29.71447 364.9880 28.27167 -35.56006      41.01509 
1 1 1 -36 2  14 o 145.4385 36.70007 6.363364       2.510834  6.333172       3.343287  6.402421       3.802602  136.9839 44.93122 134.7713 47.82560 2.212616       65.62090 
1 1 1 -36 2  15 o 68.33226 31.52108 -0.7606363     2.358582  -1.321750      3.225120  -0.1155130     3.458135  75.66808 35.54955 83.81789 38.48180 -8.149811      52.38912 
1 1 1 -36 2  16 o 268.6922 25.24672 19.41304       3.153597  15.99584       4.505925  22.69398       4.415179  215.4495 45.86710 276.1494 34.75884 -60.69987      57.54970 
1 1 1 -36 2  17 o 133.6530 41.94164 6.348495       2.935740  6.513080       4.060594  6.168252       4.249362  125.0851 48.43036 121.3406 48.73495 3.744553       68.70658 
1 1 1 -36 2  18 o 156.4810 44.06578 9.191040       3.381593  7.494055       4.769290  10.90666       4.795406  123.2381 50.82846 148.6957 53.60580 -25.45759      73.87228 
1 1 1 -36 2  19 f 130.1117 47.52053 7.841455       3.786223  9.039834       5.247275  6.539834       5.468638  123.4059 52.26379 109.4140 49.51792 13.99187       71.99673 
1 1 1 -36 2  20 o 88.92413 41.10250 2.654161       4.040343  0.3897147      5.297667  5.802617       6.246724  83.82048 40.92474 99.33862 47.47749 -15.51814      62.68131 
1 1 1 -36 2  21 o 119.9694 54.42353 14.79489       6.651951  14.79489       6.651951  0.000000       0.000000  119.9694 54.42353 ?        ?        0.000000       54.42353 
1 1 1 -36 4  1  o 104.8633 43.36851 1.787834       3.485451  -0.4666019     5.082623  3.789175       4.788831  105.6967 47.79571 127.9663 51.61612 -22.26962      70.34667 
1 1 1 -36 4  2  o 291.3333 28.84112 21.63485       3.900574  23.08879       6.046783  20.59869       5.104616  284.5065 46.81013 274.1840 40.82286 10.32254       62.11034 
1 1 1 -36 4  3  o 100.3592 42.20109 1.388276       3.382138  0.3034133      5.172485  2.198526       4.470143  109.2801 48.91412 114.5756 48.36543 -5.295479      68.78812 
1 1 1 -36 4  4  o 93.86732 39.79630 1.006208       3.047597  4.031440       4.936063  -0.8574358     3.874206  128.5768 52.21345 91.15121 41.42093 37.42562       66.64787 
1 1 1 -36 4  5  o 186.8231 35.50209 9.469553       3.005932  9.218005       5.022646  9.609930       3.752064  169.0803 55.05285 181.6633 44.30414 -12.58295      70.66592 
1 1 1 -36 4  6  f 142.1485 39.68906 5.753663       2.755465  7.260077       4.600867  4.911140       3.440792  151.8573 52.70448 130.6812 45.56552 21.17607       69.67050 
1 1 1 -36 4  7  o 76.53644 34.10322 -0.2882272     2.484032  -4.534465      4.082606  2.207762       3.130089  77.25964 37.29282 103.1622 41.68830 -25.90257      55.93451 
1 1 1 -36 4  8  o 428.4433 16.83427 44.63000       3.392790  38.51360       5.066920  49.60125       4.568027  386.2041 28.08285 446.8440 21.73219 -60.63989      35.50964 
1 1 1 -36 4  9  o 202.5173 39.61470 11.75082       3.638695  11.75082       3.638695  0.000000       0.000000  202.5173 39.61470 ?        ?        0.000000       39.61470 
1 1 1 -36 4  10 o 201.5385 58.15493 14.55551       5.819026  14.55551       5.819026  0.000000       0.000000  201.5385 58.15493 ?        ?        0.000000       58.15493 
1 1 1 -36 4  11 o 213.4441 32.17741 12.44182       3.130406  1.360121       5.332199  18.26992       3.866933  108.6726 49.06522 258.8117 32.47763 -150.1391      58.84040 
1 1 1 -36 4  12 f 176.9854 29.34989 8.470056       2.357891  6.043259       3.217740  11.28432       3.465107  137.7808 43.99013 195.7006 39.00951 -57.91978      58.79518 
1 1 1 -36 4  13 f 135.2610 36.22831 5.425053       2.351319  3.051034       3.119592  8.547762       3.577845  105.6912 41.98830 161.3898 45.28372 -55.69858      61.75461 
1 1 1 -36 4  14 o 135.5967 35.94910 5.520355       2.330219  6.051831       3.088451  4.817960       3.550502  135.4294 43.08229 120.4344 45.62037 14.99500       62.74793 
1 1 1 -36 4  15 o 160.1108 35.80037 7.726887       2.628706  8.525187       3.443012  6.611178       4.070343  157.9766 44.45617 132.1476 49.09625 25.82906       66.23286 
1 1 1 -36 4  16 o 137.6749 50.33552 7.772346       4.249674  0.000000       0.000000  7.772346       4.249674  ?        ?        137.6749 50.33552 0.000000       50.33552 
1 1 1 -36 4  17 o 217.1030 31.63440 13.87829       3.135739  14.29251       4.331830  13.42228       4.545060  196.1053 47.46827 182.4448 50.98511 13.66049       69.66145 
1 1 1 -36 4  18 o 87.38422 39.13652 1.666941       3.316478  1.928359       4.492180  1.353746       4.916967  92.90487 43.08213 91.93444 43.40663 0.9704285      61.15722 
1 1 1 -36 4  19 o 115.4724 44.92572 5.972035       3.507238  10.69857       4.936828  1.155767       4.983469  136.6627 53.26476 88.18626 42.21705 48.47644       67.96627 
1 1 1 -36 4  20 o 124.9805 48.41634 8.520895       4.059959  12.98752       5.542006  3.347206       5.964550  134.3894 55.03451 91.88374 44.53219 42.50566       70.79487 
1 1 1 -36 4  21 f 77.24081 38.56384 -1.203627      5.731083  -1.203627      5.731083  0.000000       0.000000  77.24081 38.56384 ?        ?        0.000000       38.56384 
1 1 1 -36 6  1  o 293.6022 29.51911 22.03435       4.021669  22.98041       6.132674  21.32052       5.327037  283.0595 47.75738 278.0359 42.04282 5.023621       63.62677 
1 1 1 -36 6  2  o 280.9326 29.98924 20.28191       3.901871  15.04418       5.847225  24.48652       5.238915  218.5685 56.46917 301.8797 37.71544 -83.31116      67.90598 
1 1 1 -36 6  3  o 174.1939 41.29504 8.562720       3.332238  16.70687       5.556325  3.988319       4.164204  235.3985 51.60142 125.4959 48.91755 109.9026       71.10297 
1 1 1 -36 6  4  o 141.7451 42.48889 5.759031       3.056962  4.308231       5.254821  6.501184       3.758383  131.3133 53.66084 147.9535 47.57446 -16.64021      71.71342 
1 1 1 -36 6  5  f 87.84070 38.21733 0.3932713      2.950604  -0.9648955     4.890633  1.170560       3.699812  99.93804 45.83867 100.7729 43.31525 -0.8348770     63.06659 
1 1 1 -36 6  6  o 266.5047 33.73502 18.95145       4.134470  22.38433       5.328385  13.75743       6.554169  281.9460 41.40921 195.9138 62.80699 86.03218       75.22926 
1 1 1 -36 6  7  o 174.5828 30.86785 8.106988       2.442264  6.046839       4.571826  8.929650       2.889025  140.1244 52.03820 180.3454 35.31844 -40.22102      62.89170 
1 1 1 -36 6  8  o 127.8463 35.96761 4.596148       2.254020  4.839823       3.432538  4.411416       2.988686  128.3033 45.44867 123.7791 42.50563 4.524200       62.22789 
1 1 1 -36 6  9  o 369.7798 30.01229 36.00251       5.175452  36.00251       5.175452  0.000000       0.000000  369.7798 30.01229 ?        ?        0.000000       30.01229 
1 1 1 -36 6  10 o 161.0131 38.70527 7.552055       2.895353  2.087791       5.099442  10.15161       3.517272  111.9392 49.42125 184.9765 41.44934 -73.03729      64.50199 
1 1 1 -36 6  11 o 322.6641 23.63750 26.57652       3.562776  18.14759       5.956340  31.27230       4.445771  227.6470 56.00623 345.3051 27.60066 -117.6581      62.43792 
1 1 1 -36 6  12 f 269.2363 20.99672 18.30968       2.638198  18.02703       3.313629  18.79905       4.360094  261.0280 27.39506 255.1537 37.44025 5.874313       46.39248 
1 1 1 -36 6  13 o 143.6084 34.81341 6.022233       2.327341  4.159143       3.087082  8.475451       3.542414  115.8627 42.81416 160.4083 45.07677 -44.54565      62.16887 
1 1 1 -36 6  14 f 112.2737 36.86819 3.826823       2.250790  4.388985       2.901575  2.977473       3.566536  117.0184 41.75009 104.6785 43.62802 12.33995       60.38604 
1 1 1 -36 6  15 o 122.6865 38.42675 4.814761       2.465623  8.897084       3.267272  -0.5853435     3.757792  164.2024 42.10070 83.48865 38.94640 80.71379       57.35234 
1 1 1 -36 6  16 o 71.43707 33.00620 -0.5445867     2.601476  -0.2511891     3.557024  -0.8820049     3.814546  81.97501 38.12347 81.20348 38.30721 0.7715378      54.04481 
1 1 1 -36 6  17 o 170.6335 38.66675 9.588895       3.031853  16.24257       4.476085  3.948361       4.121237  210.8359 46.39118 104.9809 45.41971 105.8550       64.92374 
1 1 1 -36 6  18 o 246.1321 34.88579 19.18869       3.926054  20.82045       5.354829  17.29192       5.773317  222.9161 52.01652 179.5484 59.05110 43.36769       78.69403 
1 1 1 -36 6  19 o 111.4846 45.82876 5.974430       3.861297  6.278241       5.342232  5.642093       5.587412  106.3468 48.44698 103.1547 47.90924 3.192123       68.13520 
1 1 1 -36 6  20 o 92.80364 44.49269 4.099287       5.580605  4.099287       5.580605  0.000000       0.000000  92.80364 44.49269 ?        ?        0.000000       44.49269 
1 1 1 -36 6  21 o 74.85838 37.50060 -1.898633      5.633142  -1.898633      5.633142  0.000000       0.000000  74.85838 37.50060 ?        ?        0.000000       37.50060 
1 1 1 -36 6  22 o 93.42264 45.89598 10.81748       6.983367  10.81748       6.983367  0.000000       0.000000  93.42264 45.89598 ?        ?        0.000000       45.89598 
1 1 1 -36 8  1  o 156.5418 45.30399 7.094368       3.526767  16.22585       5.801460  1.741666       4.441741  229.8941 54.47981 111.8236 47.74540 118.0705       72.44083 
1 1 1 -36 8  2  o 197.8539 45.09646 11.27342       4.103782  14.14982       12.78957  10.94328       4.332891  183.4178 79.68331 192.4224 48.02194 -9.004593      93.03514 
1 1 1 -36 8  3  o 197.2005 35.51208 10.47618       3.173070  22.40785       6.521060  6.774766       3.632046  271.8412 52.89937 151.6354 46.49924 120.2058       70.43098 
1 1 1 -36 8  4  o 414.6552 20.04998 42.09235       3.910844  32.79182       6.618296  47.08228       4.847745  342.8484 41.90942 434.5326 23.80696 -91.68420      48.19928 
1 1 1 -36 8  5  o 89.01076 36.96072 1.130781       2.546242  2.067450       4.816772  0.7675328      2.999607  114.4430 49.30864 91.00388 39.05569 23.43917       62.90221 
1 1 1 -36 8  6  o 296.1663 21.56264 21.78835       2.983421  27.99612       5.679972  19.42315       3.506003  318.3953 38.72079 275.0838 27.46131 43.31149       47.47024 
1 1 1 -36 8  7  o 204.2908 27.36335 10.80499       2.563517  6.029162       4.663533  12.87293       3.068735  139.5398 52.41175 221.0440 30.31108 -81.50420      60.54547 
1 1 1 -36 8  8  o 333.2303 20.69730 27.57964       3.228308  31.34120       4.668281  24.13199       4.469254  346.8637 28.87303 300.7941 32.08112 46.06958       43.16075 
1 1 1 -36 8  9  o 164.9000 56.19861 9.640921       5.223108  9.640921       5.223108  0.000000       0.000000  164.9000 56.19861 ?        ?        0.000000       56.19861 
1 1 1 -36 8  10 o 132.1387 39.23504 5.167414       2.615856  -1.091451      5.325051  7.158146       3.003187  98.93707 46.22300 154.6073 40.72655 -55.67026      61.60534 
1 1 1 -36 8  11 o 246.0175 26.91432 15.89723       3.063913  18.40688       5.480500  14.75624       3.695338  236.2457 50.82390 228.6321 35.51178 7.613647       62.00126 
1 1 1 -36 8  12 o 107.7623 37.01331 3.358150       2.266284  6.623916       3.031291  -0.7806184     3.412485  145.0681 42.00636 82.15715 37.90420 62.91090       56.57970 
1 1 1 -36 8  13 o 151.2001 38.82337 7.020461       2.775561  7.020461       2.775561  0.000000       0.000000  151.2001 38.82337 ?        ?        0.000000       38.82337 
1 1 1 -36 8  14 o 218.4329 26.13446 12.80000       2.632029  16.34429       3.591133  8.686281       3.868867  239.1723 32.78174 155.1319 48.06116 84.04047       58.17660 
1 1 1 -36 8  15 o 127.4047 39.23260 5.310550       2.582476  6.397147       3.466840  3.955975       3.870805  132.2082 45.75799 109.4955 45.52770 22.71273       64.54893 
1 1 1 -36 8  16 o 190.1383 35.07648 11.06409       3.021709  14.91974       4.369426  7.529867       4.183330  203.5053 46.64157 133.4392 49.73405 70.06612       68.18293 
1 1 1 -36 8  17 f 144.6485 43.97916 7.914126       3.258162  10.73425       4.721334  5.349984       4.501964  149.5568 53.26746 111.6675 47.88319 37.88930       71.62557 
1 1 1 -36 8  18 o 106.4530 42.87199 4.598233       3.298186  4.687872       4.371541  4.479786       5.025140  103.9613 45.83578 102.1454 46.70876 1.815895       65.44178 
1 1 1 -36 8  19 o 165.0339 48.77616 12.39134       4.050047  13.72771       5.705973  11.03448       5.749540  140.1811 56.41290 123.9761 53.64255 16.20499       77.84560 
1 1 1 -36 8  20 o 73.74194 36.94233 -3.415577      5.468410  -3.415577      5.468410  0.000000       0.000000  73.74194 36.94233 ?        ?        0.000000       36.94233 
1 1 1 -36 8  21 o 92.53271 44.99262 7.187872       6.221031  7.187872       6.221031  0.000000       0.000000  92.53271 44.99262 ?        ?        0.000000       44.99262 
1 1 1 -36 10 1  o 167.9051 43.47918 8.080328       3.461283  8.458240       5.580404  7.844030       4.412656  162.9480 57.92459 160.5380 51.54186 2.410019       77.53594 
1 1 1 -36 10 2  o 297.5611 24.50589 22.16046       3.399671  30.99874       6.356718  18.61973       4.023427  335.1985 41.18066 266.4244 32.79597 68.77417       52.64431 
1 1 1 -36 10 3  f 75.01991 34.44364 -1.263248      2.770743  -8.033087      5.129021  1.526479       3.292503  79.56955 39.13866 100.0477 41.82685 -20.47820      57.28281 
1 1 1 -36 10 4  o 136.4764 40.47120 5.295002       2.784610  -0.6502792     5.140167  7.764568       3.312846  103.3904 47.26342 163.8296 42.59175 -60.43915      63.62302 
1 1 1 -36 10 5  o 274.8701 22.12535 18.81634       2.836568  28.15321       5.861485  15.96103       3.241403  318.1112 40.05884 248.7905 28.19463 69.32071       48.98620 
1 1 1 -36 10 6  o 124.6190 37.00153 4.352737       2.326528  0.6600302      5.001921  5.372177       2.628121  107.1257 48.01460 137.1675 38.92498 -30.04173      61.81064 
1 1 1 -36 10 7  o 359.2240 20.38993 31.95175       3.431285  20.52930       4.798291  43.90607       4.908732  270.7212 38.78701 415.8849 25.21056 -145.1638      46.26019 
1 1 1 -36 10 8  o 142.6080 50.01388 6.523031       4.148276  6.523031       4.148276  0.000000       0.000000  142.6080 50.01388 ?        ?        0.000000       50.01388 
1 1 1 -36 10 9  f 284.9755 44.20069 24.28444       5.733321  24.28444       5.733321  0.000000       0.000000  284.9755 44.20069 ?        ?        0.000000       44.20069 
1 1 1 -36 10 10 o 251.8961 27.67440 16.70707       3.225159  11.85499       5.138814  19.86029       4.142627  181.6905 55.23008 268.4598 33.53556 -86.76927      64.61421 
1 1 1 -36 10 11 o 68.00401 30.73666 -0.4547365     2.099081  -0.6981908     2.906747  -0.1894174     3.034469  77.31543 35.41685 81.74383 36.95052 -4.428398      51.18295 
1 1 1 -36 10 12 o 270.8750 20.40539 18.55459       2.580962  17.72985       3.191671  20.11296       4.387284  258.6042 26.61710 263.5660 36.35405 -4.961823      45.05648 
1 1 1 -36 10 13 o 117.4391 42.79902 4.461998       3.068826  -3.665906      4.679708  10.59453       4.064896  81.27692 39.40469 174.1667 48.05073 -92.88980      62.14179 
1 1 1 -36 10 14 o 113.1425 37.73542 4.026520       2.354569  4.334111       2.808922  3.299644       4.318003  115.0048 41.07317 106.9491 46.38109 8.055664       61.95329 
1 1 1 -36 10 15 o 101.9517 39.20375 3.265069       2.646830  2.703627       3.621385  3.908953       3.878159  99.12575 42.73167 107.7853 45.24976 -8.659523      62.23774 
1 1 1 -36 10 16 o 91.20713 38.06635 2.303006       2.720549  3.596909       3.771271  0.8990284      3.928413  102.8722 43.96077 88.12688 40.66201 14.74532       59.88279 
1 1 1 -36 10 17 o 248.1495 31.34629 18.53340       3.577432  27.79132       5.386611  11.22755       4.785136  282.1457 41.85468 149.3373 53.57962 132.8084       67.98962 
1 1 1 -36 10 18 o 172.5569 46.13847 12.15474       3.817551  12.83294       4.895925  11.10285       6.097322  153.2685 54.28028 125.0981 54.67051 28.17040       77.04034 
1 1 1 -36 10 19 o 103.1285 47.86940 6.854935       5.565642  6.854935       5.565642  0.000000       0.000000  103.1285 47.86940 ?        ?        0.000000       47.86940 
1 1 1 -36 10 20 o 106.9643 49.02813 9.527349       5.581894  9.527349       5.581894  0.000000       0.000000  106.9643 49.02813 ?        ?        0.000000       49.02813 
1 1 1 -36 12 1  o 157.7295 39.71554 6.986383       2.944905  9.546446       5.350301  5.873680       3.527302  171.6314 56.86588 142.0518 46.12975 29.57954       73.22350 
1 1 1 -36 12 2  o 157.8584 39.50014 7.013509       2.926027  8.638917       5.457685  6.357851       3.466299  162.8581 57.34910 147.1212 45.47764 15.73698       73.19245 
1 1 1 -36 12 3  o 92.02493 37.59498 1.418795       2.578377  4.176866       5.230585  0.5334802      2.963441  129.4751 53.29515 88.96381 38.50240 40.51126       65.74806 
1 1 1 -36 12 4  o 83.32042 35.01175 0.8029820      2.325302  1.022230       4.993332  0.7422702      2.627601  109.5294 48.60305 86.43604 36.80955 23.09332       60.96884 
1 1 1 -36 12 5  o 356.1971 19.63681 31.23338       3.277553  29.43361       6.120976  31.95684       3.880785  322.7179 41.26567 357.1765 23.22381 -34.45862      47.35188 
1 1 1 -36 12 6  o 85.43801 35.54934 1.049431       2.362340  3.111760       4.722283  0.3610562      2.728257  118.2203 49.79689 84.04600 36.65422 34.17430       61.83254 
1 1 1 -36 12 7  o 209.8622 28.74730 11.57825       2.763325  3.732280       4.196188  17.58621       3.671937  119.3303 48.25212 257.1220 30.98291 -137.7917      57.34290 
1 1 1 -36 12 8  o 275.1353 41.42359 22.05229       5.194984  22.05229       5.194984  0.000000       0.000000  275.1353 41.42359 ?        ?        0.000000       41.42359 
1 1 1 -36 12 9  o 123.4747 40.79847 4.557394       2.754681  5.280824       4.578178  4.146849       3.448853  128.9979 50.98626 118.7653 44.96874 10.23262       67.98372 
1 1 1 -36 12 10 o 91.65942 38.37636 1.544610       2.777447  -0.4458163     4.684012  2.623960       3.449261  95.33026 44.13103 104.6374 43.19817 -9.307091      61.75459 
1 1 1 -36 12 11 o 174.0008 31.15759 8.404117       2.456607  8.035751       3.226752  8.912010       3.788894  159.5190 42.30878 162.9302 46.90096 -3.411255      63.16433 
1 1 1 -36 12 12 o 238.9070 23.89619 14.90656       2.649493  18.87797       3.281814  7.473247       4.489858  266.0161 26.58218 140.1674 51.66375 125.8488       58.10125 
1 1 1 -36 12 13 o 94.77477 36.46382 2.475236       2.290603  1.637014       2.637539  5.047563       4.620432  88.53401 37.24995 118.8186 49.60085 -30.28463      62.03065 
1 1 1 -36 12 14 o 51.82940 25.63249 -4.077731      2.304812  -1.793803      2.667339  -10.80856      4.579007  66.07577 31.42426 63.01104 31.84327 3.064724       44.73788 
1 1 1 -36 12 15 o 249.5147 26.16348 17.15446       3.025174  15.41300       3.555817  21.71819       5.756296  224.7963 34.74705 232.3353 53.73908 -7.539047      63.99411 
1 1 1 -36 12 16 o 206.9580 32.01200 12.91927       3.015883  11.39927       3.468948  17.62485       6.103553  180.2439 41.73596 179.0353 60.75215 1.208603       73.70695 
1 1 1 -36 12 17 o 416.3517 24.69281 48.37430       4.814560  68.07373       7.778405  36.13988       6.129929  453.0924 36.81341 316.9711 42.15741 136.1213       55.96851 
1 1 1 -36 12 18 o 85.06143 40.17601 1.537610       4.219234  3.998217       5.024632  -4.346017      7.769724  95.39478 44.67469 82.45337 41.64911 12.94141       61.07762 
1 1 1 -36 12 19 o 103.1668 47.64075 7.592153       5.409076  7.592153       5.409076  0.000000       0.000000  103.1668 47.64075 ?        ?        0.000000       47.64075 
1 1 1 -36 14 1  o 78.30206 35.24993 -0.5925781     2.728864  -3.546374      5.672702  0.2967661      3.112682  96.96927 46.03148 88.99987 38.97382 7.969398       60.31464 
1 1 1 -36 14 2  o 268.7184 25.25669 18.27669       3.155128  24.15280       6.804279  16.66717       3.561119  278.2722 53.92808 252.4617 30.61218 25.81056       62.01083 
1 1 1 -36 14 3  o 300.7980 21.46491 22.47178       3.017260  23.43077       5.642354  22.08772       3.570684  285.7751 43.33175 294.5926 26.03477 -8.817566      50.55146 
1 1 1 -36 14 4  o 88.56149 36.08401 1.356125       2.367359  -1.132765      4.936610  2.099433       2.697802  98.27769 45.42847 98.70235 39.09883 -0.4246597     59.93717 
1 1 1 -36 14 5  o 331.2430 21.24646 27.31852       3.293109  17.83487       5.806343  31.81569       3.998386  234.5953 53.76617 354.7937 24.10030 -120.1984      58.92050 
1 1 1 -36 14 6  o 89.55515 38.00150 1.071110       2.782806  -0.7421051     4.774712  2.003865       3.424571  97.34100 44.88368 102.1994 42.68602 -4.858353      61.94062 
1 1 1 -36 14 7  o 198.3113 53.22854 13.27206       5.069406  13.27206       5.069406  0.000000       0.000000  198.3113 53.22854 ?        ?        0.000000       53.22854 
1 1 1 -36 14 8  o 79.30812 38.16494 -3.718333      4.195788  -3.718333      4.195788  0.000000       0.000000  79.30812 38.16494 ?        ?        0.000000       38.16494 
1 1 1 -36 14 9  o 176.2989 35.07835 8.864110       2.806756  9.245931       4.267912  8.573128       3.725792  163.4353 50.45342 161.8213 46.48758 1.613983       68.60497 
1 1 1 -36 14 10 f 214.2910 26.62474 12.18682       2.626009  12.32759       3.340151  11.95898       4.249349  206.8911 35.60480 189.3869 47.71881 17.50420       59.53811 
1 1 1 -36 14 11 o 81.25097 34.99028 0.8609889      2.423094  1.705796       2.989256  -0.7577289     4.137803  92.64403 39.35257 87.50743 40.83690 5.136597       56.71223 
1 1 1 -36 14 12 o 203.1524 29.18919 11.43975       2.709296  8.386874       3.165207  19.80678       5.240021  160.6035 41.57295 240.3349 48.02940 -79.73141      63.52270 
1 1 1 -36 14 13 o 180.7122 30.68231 9.345314       2.514950  8.910553       2.937766  10.53805       4.865915  168.3430 37.99918 156.0999 54.19994 12.24315       66.19344 
1 1 1 -36 14 14 o 98.15374 38.76425 2.987800       2.644402  3.526497       3.061115  1.403389       5.249780  103.3104 41.40939 96.90499 45.47197 6.405418       61.50152 
1 1 1 -36 14 15 o 239.1599 29.67343 16.65586       3.266583  16.49796       3.804645  17.09869       6.371536  227.0071 36.89618 171.2144 61.78018 55.79271       71.95914 
1 1 1 -36 14 16 o 76.73109 35.18295 0.4798057      2.877961  0.2976917      3.301670  1.055886       5.872234  78.66935 36.63391 91.71264 44.38294 -13.04329      57.54902 
1 1 1 -36 14 17 f 176.4249 42.53888 11.89832       3.489196  17.46491       4.119862  -2.224138      6.562100  217.4095 41.80248 83.24478 41.51355 134.1647       58.91369 
1 1 1 -36 16 1  o 206.8097 30.60086 11.29167       2.887092  9.768134       6.346909  11.68916       3.241913  165.0883 61.31290 207.6384 34.39527 -42.55017      70.30154 
1 1 1 -36 16 2  o 173.0340 34.75829 8.230455       2.730950  3.046968       5.934075  9.623309       3.076060  123.4986 53.95358 186.1880 36.42616 -62.68949      65.09881 
1 1 1 -36 16 3  o 286.2363 23.52970 20.68161       3.140137  19.41736       6.464983  21.07196       3.592351  239.1072 58.05923 285.8899 27.03307 -46.78271      64.04421 
1 1 1 -36 16 4  o 170.1705 36.00063 8.125878       2.791833  0.2339180      5.656735  10.66727       3.210028  107.8206 49.39675 195.4277 36.25316 -87.60714      61.27259 
1 1 1 -36 16 5  o 162.0709 35.78060 7.421991       2.654898  4.539239       5.195678  8.440663       3.088559  126.4761 52.68072 170.1899 39.36300 -43.71387      65.76248 
1 1 1 -36 16 6  o 103.6003 40.73833 2.676074       2.908802  8.909038       5.628625  0.4048752      3.397681  154.3722 57.65892 90.03690 40.01612 64.33527       70.18433 
1 1 1 -36 16 7  f 131.2308 49.90347 5.668668       4.258931  5.668668       4.258931  0.000000       0.000000  131.2308 49.90347 ?        ?        0.000000       49.90347 
1 1 1 -36 16 8  o 151.0547 39.15471 6.897032       2.805168  4.898223       3.985942  8.858502       3.948537  123.5718 47.94445 161.8280 48.23933 -38.25623      68.01252 
1 1 1 -36 16 9  o 147.3370 41.47044 6.867267       2.995756  3.142177       4.258379  10.51724       4.215227  109.7167 46.79522 173.9657 49.27179 -64.24902      67.95220 
1 1 1 -36 16 10 o 190.1087 32.61855 10.28810       2.811964  12.37801       3.334762  5.145660       5.231010  205.2994 35.83457 121.4461 51.83297 83.85336       63.01406 
1 1 1 -36 16 11 o 106.5629 39.58988 3.513243       2.646655  4.814899       3.133755  0.2749703      4.942807  119.3278 43.28566 95.30384 44.52811 24.02399       62.09992 
1 1 1 -36 16 12 o 114.2523 39.85938 4.321974       2.633151  4.227463       3.141533  4.545185       4.827901  111.5663 42.75572 112.8415 48.98986 -1.275154      65.02352 
1 1 1 -36 16 13 o 181.3624 37.25799 10.41999       3.072262  13.63496       3.648221  2.580262       5.696962  205.3749 39.19273 102.2905 47.79649 103.0844       61.81080 
1 1 1 -36 16 14 o 221.3031 31.67600 14.63079       3.203455  15.18841       3.722220  13.03805       6.290774  216.0510 38.01289 145.4633 58.98866 70.58771       70.17580 
1 1 1 -36 16 15 o 97.92436 40.72193 3.441599       3.097345  1.104281       3.551129  10.87396       6.332437  84.17047 38.77362 126.8935 55.57799 -42.72302      67.76656 
1 1 1 -36 18 1  o 82.45864 34.87904 0.8060558      2.332395  -8.641499      6.126281  2.407592       2.522351  85.24770 42.09102 99.77393 38.29345 -14.52622      56.90380 
1 1 1 -36 18 2  o 207.2072 31.93287 11.60866       3.012532  8.815319       4.696651  13.56124       3.926716  160.4805 53.28426 216.6982 39.99507 -56.21768      66.62445 
1 1 1 -36 18 3  o 99.82910 39.55250 2.332924       2.761247  2.770809       6.239388  2.226277       3.079194  119.9468 53.70309 100.8805 41.13378 19.06635       67.64622 
1 1 1 -36 18 4  o 105.2724 45.76620 1.916267       4.224896  8.222355       6.448425  -2.826695      5.592403  146.8026 59.65443 94.54412 45.11266 52.25846       74.79173 
1 1 1 -36 18 5  o 86.65972 36.72337 1.108910       2.593183  6.417955       5.989890  -0.1156556     2.876746  135.1716 56.45531 80.80934 36.30254 54.36223       67.11987 
1 1 1 -36 18 6  o 201.9312 48.19760 13.39847       4.514694  13.39847       4.514694  0.000000       0.000000  201.9312 48.19760 ?        ?        0.000000       48.19760 
1 1 1 -36 18 7  o 118.2739 45.85268 4.401131       3.643503  4.401131       3.643503  0.000000       0.000000  118.2739 45.85268 ?        ?        0.000000       45.85268 
1 1 1 -36 18 8  o 101.8246 39.91425 2.870939       2.784323  3.026671       3.589082  2.635553       4.412494  105.7987 43.90250 106.2399 46.46633 -0.4411774     63.92612 
1 1 1 -36 18 9  o 174.5179 38.16869 9.334270       3.046155  6.490446       3.707954  15.23781       5.342436  134.2331 47.27028 197.4951 55.30722 -63.26201      72.75553 
1 1 1 -36 18 10 o 78.96920 35.87490 0.4410344E-01  2.903541  0.7069752      3.527691  -1.348098      5.112423  87.97260 39.79650 89.84210 42.94220 -1.869499      58.54737 
1 1 1 -36 18 11 o 114.1554 44.73374 4.676699       3.496474  6.589713       4.528604  1.853151       5.501775  125.5931 50.35740 100.9305 47.09699 24.66261       68.94921 
1 1 1 -36 18 12 o 122.8577 41.42578 5.390294       2.837748  4.469721       3.224478  8.552320       5.976034  110.9127 43.09748 127.1663 54.85620 -16.25359      69.76099 
1 1 1 -36 20 1  o 136.2427 39.59232 5.567733       2.688585  -3.082640      6.158132  7.604904       2.988446  97.38612 46.70251 159.5161 39.92160 -62.12994      61.43988 
1 1 1 -36 20 2  o 215.1710 29.49606 12.44405       2.906923  8.007513       4.646651  15.29689       3.726120  149.6752 52.89404 233.2110 35.04962 -83.53581      63.45279 
1 1 1 -36 20 3  f 256.8683 26.54227 17.34064       3.160894  5.511679       4.948837  25.49155       4.108024  128.5021 52.24354 309.3144 28.55580 -180.8123      59.53840 
1 1 1 -36 20 4  o 195.6508 36.09153 11.05959       3.199291  12.24383       5.310309  10.38484       4.008417  178.6044 56.45773 176.8312 47.27629 1.773132       73.63779 
1 1 1 -36 20 5  o 140.0816 44.49587 6.487530       3.295389  -12.34542      6.480952  13.05457       3.827051  78.14169 39.28902 206.6756 40.81279 -128.5339      56.65078 
1 1 1 -36 20 6  o 131.8541 46.53601 6.016043       3.595585  6.016043       3.595585  0.000000       0.000000  131.8541 46.53601 ?        ?        0.000000       46.53601 
1 1 1 -36 20 7  o 196.3558 35.66688 11.39239       3.173070  9.781389       3.685173  16.01070       6.239537  169.9313 45.28302 189.1612 61.34815 -19.22992      76.25055 
1 1 1 -36 20 8  o 98.72842 40.10064 2.706460       2.912176  3.201479       3.482746  1.555886       5.309670  104.3336 43.26699 101.6218 47.02330 2.711769       63.90010 
1 1 1 -35 1  1  o 150.0845 62.94595 5.027952       7.492686  3.540428       11.33284  6.183116       9.986851  157.9557 71.40364 163.1074 70.63593 -5.151672      100.4386 
1 1 1 -35 1  2  o 110.2305 51.08910 -2.349203      6.304763  1.896255       9.062242  -6.331748      8.777155  142.8692 64.28430 116.9381 55.99339 25.93113       85.25099 
1 1 1 -35 1  3  o 186.7644 48.11904 10.01556       4.253649  13.15007       4.910339  0.5912604      8.514338  213.4527 49.81264 134.8121 61.31673 78.64059       79.00026 
1 1 1 -35 1  4  o 116.3096 43.82111 3.214206       3.264931  1.992179       4.676046  4.376704       4.560732  116.5469 49.34677 132.5089 51.32029 -15.96204      71.19604 
1 1 1 -35 1  5  o 102.1551 40.67344 2.002803       2.933248  1.814723       4.292661  2.167542       4.017477  111.9881 47.34101 112.2848 46.50938 -0.2966385     66.36485 
1 1 1 -35 1  6  o 330.7594 20.75218 26.82298       3.212472  25.35643       4.861596  27.95964       4.280016  311.4916 33.71712 332.6256 27.60338 -21.13403      43.57512 
1 1 1 -35 1  7  o 104.1845 37.41418 2.688315       2.333795  1.298090       3.379536  3.955665       3.226732  99.56461 42.04258 121.9417 43.97065 -22.37712      60.83581 
1 1 1 -35 1  8  o 110.3235 36.73358 3.234375       2.231545  5.588405       3.341177  1.338640       2.998349  138.7956 44.88003 95.72680 39.95851 43.06876       60.09076 
1 1 1 -35 1  9  o 507.4942 16.56970 62.38077       3.955623  63.29241       5.333550  61.26635       5.896980  505.1235 22.44655 492.7272 25.52970 12.39630       33.99431 
1 1 1 -35 1  10 o 233.8656 22.74082 13.73736       2.470098  12.62057       3.505712  14.83839       3.480911  214.3832 36.04176 236.0248 32.19166 -21.64159      48.32506 
1 1 1 -35 1  11 o 97.31518 36.02984 2.340687       2.188335  -1.068342      3.082726  5.803526       3.106961  79.13110 36.33115 139.2254 43.05905 -60.09428      56.33857 
1 1 1 -35 1  12 o 113.6371 54.97494 -3.514980      8.991898  -4.506540      12.80553  -2.550535      12.62923  125.0542 61.57541 127.6478 62.50601 -2.593613      87.74128 
1 1 1 -35 1  13 o 244.1294 35.35506 16.65141       3.941950  31.03448       14.14178  15.43971       4.104636  204.8669 86.22796 231.0078 39.17231 -26.14091      94.70866 
1 1 1 -35 1  14 o 207.9294 27.89790 11.50300       2.659884  13.20424       3.720459  9.724282       3.804229  212.4821 38.64609 173.9040 45.85069 38.57816       59.96504 
1 1 1 -35 1  15 o 243.6427 27.39930 15.82549       3.085762  14.42537       4.229216  17.41937       4.512387  214.9172 43.32914 238.8662 41.67473 -23.94907      60.11820 
1 1 1 -35 1  16 o 236.4085 27.94287 15.13607       3.047350  17.91000       4.283107  12.29242       4.336597  243.9316 38.61251 188.0840 48.64914 55.84761       62.11011 
1 1 1 -35 1  17 o 80.47292 35.64214 0.5883945      2.673013  -0.6792014     3.653088  2.049185       3.921603  82.26296 38.38313 98.22660 43.35472 -15.96364      57.90421 
1 1 1 -35 1  18 o 141.4581 44.48460 7.260987       3.300579  6.753865       4.522555  7.838883       4.827832  126.4623 50.45617 132.6475 52.38044 -6.185188      72.72919 
1 1 1 -35 1  19 o 76.81903 35.94044 -0.4402451     3.238456  2.505351       4.386717  -3.968490      4.801008  97.15776 44.12158 76.81483 37.79963 20.34293       58.09928 
1 1 1 -35 1  20 o 134.1524 49.57769 8.549279       4.139688  6.857908       5.317917  11.15042       6.594833  113.7185 50.32452 126.8721 56.09867 -13.15355      75.36324 
1 1 1 -35 1  21 o 85.33112 39.49746 1.741891       3.750412  -1.500000      5.339403  4.898930       5.269064  80.54711 39.67997 99.67705 46.37059 -19.12994      61.03058 
1 1 1 -35 1  22 o 89.03724 43.09178 3.287753       5.538270  3.287753       5.538270  0.000000       0.000000  89.03724 43.09178 ?        ?        0.000000       43.09178 
1 1 1 -35 3  1  o 270.7949 40.57495 19.61099       5.009373  25.78089       5.997052  5.368610       9.111502  309.4519 42.30610 156.7704 67.68065 152.6814       79.81526 
1 1 1 -35 3  2  f 113.8814 48.49058 1.594632       4.558712  4.345369       5.346203  -5.734245      8.726490  136.5416 54.72619 117.8181 56.25550 18.72353       78.48335 
1 1 1 -35 3  3  o 106.2016 45.58030 1.072231       4.085910  1.782334       4.960900  -0.4253865     7.204439  117.6909 50.35982 123.2076 56.17939 -5.516693      75.44691 
1 1 1 -35 3  4  o 360.0240 23.50479 31.99515       3.958833  33.34903       6.133446  31.02833       5.183058  355.4309 37.23715 347.6268 32.05709 7.804108       49.13514 
1 1 1 -35 3  5  o 191.1292 33.97779 9.650082       2.942927  13.52389       5.161695  7.784339       3.582197  212.6780 52.02325 164.8997 44.94894 47.77829       68.75191 
1 1 1 -35 3  6  o 174.1751 36.45860 8.217750       2.891286  13.04358       4.642825  5.160699       3.695282  211.5435 47.78460 135.5451 47.22284 75.99843       67.18158 
1 1 1 -35 3  7  o 71.30700 32.15152 -0.6927183     2.280676  0.1255740E-01  3.525690  -1.200185      2.990670  92.35041 40.91691 78.65072 35.99028 13.69969       54.49306 
1 1 1 -35 3  8  o 67.75394 30.73906 -0.7953855     2.122677  -1.524091      3.448722  -0.3509618     2.693276  82.51470 38.08168 79.50697 35.46251 3.007736       52.03657 
1 1 1 -35 3  9  o 234.5837 23.82415 13.85913       2.592484  14.70022       3.780332  13.11237       3.562049  232.7450 35.66548 219.5947 35.71035 13.15030       50.47034 
1 1 1 -35 3  10 o 273.7547 19.86238 18.51958       2.540364  19.86874       3.436295  16.89358       3.772417  278.4648 26.55496 251.5098 32.65631 26.95503       42.09039 
1 1 1 -35 3  11 o 227.9470 24.30028 13.22927       2.565472  13.55622       3.769223  12.94707       3.501771  219.7299 37.83137 216.6182 35.60282 3.111664       51.94971 
1 1 1 -35 3  12 o 212.8813 74.62656 21.38724       9.235292  20.75505       12.64247  22.11058       13.52333  184.1416 79.60987 184.5766 81.02138 -0.4350281     113.5878 
1 1 1 -35 3  13 o 121.9153 44.70053 4.474318       3.354851  3.656362       10.60986  4.565185       3.536290  132.4413 62.89429 122.8111 45.73553 9.630249       77.76524 
1 1 1 -35 3  14 o 391.1880 18.80337 37.95432       3.460115  33.60028       4.590384  43.68319       5.265471  356.9526 27.55134 406.9918 27.66741 -50.03918      39.04564 
1 1 1 -35 3  15 o 172.6235 34.87857 8.599359       2.734762  5.881752       3.715999  11.81036       4.039270  131.6191 47.21680 190.6589 45.64377 -59.03983      65.67176 
1 1 1 -35 3  16 o 89.18021 36.67224 1.750331       2.473507  -0.1561303     3.140767  4.863949       4.013788  81.34831 37.09289 119.7266 47.60742 -38.37829      60.35188 
1 1 1 -35 3  17 o 69.52788 32.29707 -0.9002226     2.540943  -1.440060      3.380325  -0.1989629     3.852710  76.22256 35.98894 85.91263 39.86031 -9.690063      53.70333 
1 1 1 -35 3  18 o 249.2855 30.07020 17.73558       3.454965  25.12485       5.420705  12.68011       4.483691  272.9985 43.68396 179.6545 50.79343 93.34401       66.99448 
1 1 1 -35 3  19 o 91.51678 42.99803 1.013674       4.719398  0.000000       0.000000  1.013674       4.719398  ?        ?        91.51678 42.99803 0.000000       42.99803 
1 1 1 -35 3  20 o 185.0407 47.71236 13.80861       4.179790  18.10048       5.889461  9.453032       5.933010  180.5798 59.65429 122.6824 53.76349 57.89744       80.30658 
1 1 1 -35 3  21 o 206.0126 48.60484 18.07014       4.634111  17.85672       6.521933  18.28775       6.585780  151.8497 60.58942 153.2469 60.96751 -1.397232      85.95415 
1 1 1 -35 3  22 o 74.40987 37.28948 -3.228300      5.593241  -3.228300      5.593241  0.000000       0.000000  74.40987 37.28948 ?        ?        0.000000       37.28948 
1 1 1 -35 5  1  f 129.1246 51.16792 3.781564       4.621887  5.466812       5.323477  -1.377824      9.314565  144.2737 55.56596 133.1808 61.85567 11.09294       83.14866 
1 1 1 -35 5  2  o 173.4966 59.49916 9.308045       5.855158  9.308045       5.855158  0.000000       0.000000  173.4966 59.49916 ?        ?        0.000000       59.49916 
1 1 1 -35 5  3  o 228.6703 42.29947 14.36129       4.382441  16.01124       5.635578  11.83710       6.970506  232.7554 52.69762 188.9874 64.91310 43.76808       83.61070 
1 1 1 -35 5  4  o 133.5543 42.18999 4.919211       2.965826  7.949889       5.120343  3.389046       3.638298  161.8248 55.63224 119.5385 45.96425 42.28631       72.16411 
1 1 1 -35 5  5  o 314.3388 22.75998 24.42030       3.342643  24.68288       5.526930  24.26885       4.197278  301.7397 39.91883 308.5938 29.26410 -6.854187      49.49647 
1 1 1 -35 5  6  o 271.0571 24.62847 18.38447       3.106002  10.39793       5.102582  23.08566       3.914842  181.7331 54.98866 301.4663 27.92324 -119.7332      61.67220 
1 1 1 -35 5  7  o 345.9222 19.37410 29.27013       3.139925  22.28074       5.000315  33.82039       4.034557  286.5354 38.03806 368.7361 23.38104 -82.20062      44.64938 
1 1 1 -35 5  8  o 175.8944 29.72319 8.104933       2.371696  6.516248       3.537215  9.402498       3.196738  148.1174 45.96607 184.0439 38.17637 -35.92650      59.75211 
1 1 1 -35 5  9  o 71.83791 31.71967 -0.1647745     2.101159  -0.2740349     3.225313  -0.8421522E-01 2.769480  86.19709 38.60057 81.88637 36.27332 4.310722       52.96941 
1 1 1 -35 5  10 o 67.12336 30.13816 -0.4839949     1.979915  -2.461897      2.770390  1.580856       2.830628  68.03848 32.26011 94.95918 39.16075 -26.92070      50.73735 
1 1 1 -35 5  11 o 110.1705 40.85976 3.237099       2.816770  3.237099       2.816770  0.000000       0.000000  110.1705 40.85976 ?        ?        0.000000       40.85976 
1 1 1 -35 5  12 o 248.6344 34.33733 16.99539       3.908855  16.99539       3.908855  0.000000       0.000000  248.6344 34.33733 ?        ?        0.000000       34.33733 
1 1 1 -35 5  13 o 257.5181 31.49204 17.97303       3.735363  9.485732       9.151207  19.66983       4.091754  148.4753 65.84538 267.5782 33.22285 -119.1030      73.75209 
1 1 1 -35 5  14 f 282.7242 21.48507 20.24709       2.836010  18.58154       3.834770  22.25772       4.213356  259.9540 32.03779 284.6937 32.01707 -24.73969      45.29362 
1 1 1 -35 5  15 o 413.7669 28.61689 46.03336       5.535686  0.000000       0.000000  46.03336       5.535686  ?        ?        413.7669 28.61689 0.000000       28.61689 
1 1 1 -35 5  16 o 323.5705 21.57714 26.87176       3.265385  29.68795       4.343067  23.20955       4.952647  330.6877 28.18872 276.1295 39.23227 54.55829       48.30917 
1 1 1 -35 5  17 o 119.5394 40.26115 4.724435       2.680403  2.913199       3.577859  7.041340       4.046595  101.8552 43.14772 134.4038 49.12136 -32.54860      65.38068 
1 1 1 -35 5  18 o 136.1890 42.22533 6.555871       2.985698  6.747920       4.337928  6.382999       4.115664  126.1443 49.70274 124.5379 48.60739 1.606323       69.52007 
1 1 1 -35 5  19 o 69.67632 33.81504 -2.610151      3.469944  -2.253270      4.786812  -3.005351      5.037245  80.61786 39.25957 80.10013 39.27568 0.5177307      55.53281 
1 1 1 -35 5  20 o 91.05077 40.68896 2.486393       3.563816  5.344828       4.998083  -0.4699762     5.082983  105.7054 47.63480 84.43612 40.96640 21.26932       62.82769 
1 1 1 -35 5  21 o 101.5556 44.62188 5.058771       4.110616  11.26041       5.609012  -2.136445      6.041645  125.2653 53.57331 80.67455 40.16739 44.59077       66.95908 
1 1 1 -35 5  22 o 69.31392 35.05479 -6.212842      5.637907  -6.212842      5.637907  0.000000       0.000000  69.31392 35.05479 ?        ?        0.000000       35.05479 
1 1 1 -35 5  23 o 91.83115 44.96419 8.133176       6.531787  8.133176       6.531787  0.000000       0.000000  91.83115 44.96419 ?        ?        0.000000       44.96419 
1 1 1 -35 7  1  o 116.5704 48.43714 2.286278       4.377169  1.515425       5.330431  3.882283       7.669967  118.8761 51.54298 143.4418 62.01107 -24.56569      80.63529 
1 1 1 -35 7  2  o 164.0264 49.84085 7.869357       4.185477  7.055267       5.274364  9.253865       6.878308  155.1254 56.17365 170.9370 63.76016 -15.81160      84.97551 
1 1 1 -35 7  3  o 384.6351 26.00232 36.92419       4.677050  38.49259       6.542918  35.28538       6.688169  381.9970 36.86991 362.3748 39.89653 19.62222       54.32424 
1 1 1 -35 7  4  o 294.5285 24.17640 21.57211       3.320017  23.12058       5.734421  20.79136       4.071872  288.6858 43.58472 284.3276 30.94390 4.358124       53.45235 
1 1 1 -35 7  5  o 154.1385 43.35373 6.784945       3.275247  3.567182       9.233096  7.248128       3.503053  144.1890 64.88194 158.4156 44.93431 -14.22664      78.92248 
1 1 1 -35 7  6  o 374.6382 20.56221 34.44634       3.609834  33.50179       7.212495  34.76202       4.169661  343.0415 45.84292 373.7026 23.84385 -30.66104      51.67303 
1 1 1 -35 7  7  f 337.5113 20.77942 28.05521       3.283031  27.89791       5.336296  28.15101       4.164432  322.9454 35.72540 333.2095 26.79518 -10.26410      44.65743 
1 1 1 -35 7  8  o 111.0872 36.46051 3.321013       2.201389  5.242701       3.618987  2.192331       2.773522  134.1667 46.73336 100.9120 39.74833 33.25468       61.35094 
1 1 1 -35 7  9  o 156.9689 44.99043 7.386837       3.493284  7.386837       3.493284  0.000000       0.000000  156.9689 44.99043 ?        ?        0.000000       44.99043 
1 1 1 -35 7  10 o 181.9146 28.33012 8.668234       2.345372  12.36821       3.475312  5.573722       3.178270  211.6478 36.20834 136.7800 43.72466 74.86787       56.77050 
1 1 1 -35 7  11 o 132.4187 40.67197 5.161544       2.777475  5.161544       2.777475  0.000000       0.000000  132.4187 40.67197 ?        ?        0.000000       40.67197 
1 1 1 -35 7  12 o 65.81674 30.18914 -0.9150831     2.121526  -1.659568      2.742507  0.1942925      3.347796  70.83715 33.12027 88.56765 39.51819 -17.73050      51.56199 
1 1 1 -35 7  13 o 163.6688 43.30545 8.323782       3.385811  5.915577       8.219339  8.815939       3.715712  134.4185 60.78230 165.7486 46.02151 -31.33014      76.23954 
1 1 1 -35 7  14 o 184.4104 29.21843 9.221571       2.450121  6.311571       3.108421  13.99558       3.981393  140.7294 42.99403 215.5211 40.76461 -74.79175      59.24728 
1 1 1 -35 7  15 o 106.9279 37.26262 3.375741       2.300931  1.886955       2.884417  5.980884       3.815555  93.69014 39.15728 131.0015 47.72572 -37.31139      61.73360 
1 1 1 -35 7  16 o 283.7590 22.78809 20.94388       3.016116  23.33085       3.992469  17.77061       4.603319  290.3178 29.65085 234.8275 43.26699 55.49030       52.45193 
1 1 1 -35 7  17 f 75.65911 34.28360 0.3587844E-01  2.630694  0.3427468      3.509235  -0.3578237     3.974846  85.15804 38.97456 85.23492 39.85871 -0.7688141E-01 55.74705 
1 1 1 -35 7  18 o 270.0125 29.88612 20.96188       3.732314  26.09394       5.414672  16.31618       5.151718  277.2743 42.89905 197.3593 53.94848 79.91502       68.92581 
1 1 1 -35 7  19 o 161.9017 45.35450 10.11044       3.592044  16.47146       5.616894  5.708864       4.672363  178.8607 58.21767 111.8312 48.37246 67.02946       75.69142 
1 1 1 -35 7  20 o 94.09293 42.02607 3.146358       3.796484  11.42390       5.394089  -4.979192      5.344336  134.9706 54.66166 74.41355 37.16534 60.55709       66.09962 
1 1 1 -35 7  21 o 93.28077 44.67271 4.004162       5.591805  4.004162       5.591805  0.000000       0.000000  93.28077 44.67271 ?        ?        0.000000       44.67271 
1 1 1 -35 7  22 o 76.35336 38.54249 -2.779429      6.590621  -2.779429      6.590621  0.000000       0.000000  76.35336 38.54249 ?        ?        0.000000       38.54249 
1 1 1 -35 7  23 o 89.02794 43.73101 7.473247       6.333277  7.473247       6.333277  0.000000       0.000000  89.02794 43.73101 ?        ?        0.000000       43.73101 
1 1 1 -35 9  1  o 171.7459 50.02152 8.667041       4.287276  7.935544       5.429802  9.878122       6.986577  162.0957 57.18929 174.9196 64.45081 -12.82382      86.16567 
1 1 1 -35 9  2  o 275.8202 31.82327 19.60830       4.053191  17.73234       5.533121  21.78062       5.954165  248.0271 49.16174 277.2912 47.34713 -29.26411      68.25414 
1 1 1 -35 9  3  o 163.3826 40.59489 7.423704       3.106130  5.551746       5.327971  8.387497       3.823012  142.5486 55.39668 170.1955 46.45299 -27.64688      72.29573 
1 1 1 -35 9  4  o 120.4298 40.22131 3.891680       2.674877  4.923142       5.277004  3.535013       3.103073  137.3253 54.59293 117.7361 43.01737 19.58926       69.50455 
1 1 1 -35 9  5  o 166.0873 36.50521 7.515359       2.774295  1.333129       5.223207  9.944892       3.274357  114.8197 50.37825 190.8502 37.80931 -76.03042      62.98819 
1 1 1 -35 9  6  o 133.1508 38.77890 4.940527       2.576719  1.304812       5.110922  6.179579       2.983659  113.2655 49.76170 147.3815 41.35279 -34.11596      64.70146 
1 1 1 -35 9  7  o 252.9827 25.85340 16.22028       3.033417  15.17950       4.585234  17.03032       4.045146  230.0981 43.96525 252.0822 35.06265 -21.98409      56.23462 
1 1 1 -35 9  8  o 139.0000 38.61614 5.466650       2.615354  6.991062       4.153216  4.464923       3.366727  150.3060 50.11646 125.9035 44.96670 24.40253       67.33248 
1 1 1 -35 9  9  o 182.0897 28.74423 8.683304       2.380405  7.805591       3.447799  9.482759       3.290509  161.7558 44.10005 182.7216 39.43905 -20.96584      59.16294 
1 1 1 -35 9  10 o 99.81526 36.34196 2.529086       2.211944  2.739226       3.102443  2.311831       3.154531  106.8240 42.05127 103.3660 41.82266 3.458031       59.30805 
1 1 1 -35 9  11 o 109.1092 41.04493 3.169352       2.862208  3.169352       2.862208  0.000000       0.000000  109.1092 41.04493 ?        ?        0.000000       41.04493 
1 1 1 -35 9  12 o 106.8623 36.21201 3.184661       2.168497  6.442397       2.910695  -0.8790132     3.250860  146.2177 40.77983 81.14642 37.27575 65.07123       55.24921 
1 1 1 -35 9  13 o 189.4138 36.38663 10.31322       3.124247  13.45948       4.957327  8.240191       4.023965  197.1388 52.51470 155.6727 49.13960 41.46603       71.92005 
1 1 1 -35 9  14 o 78.66042 33.99232 0.6255119      2.302910  -2.489401      3.008342  5.034589       3.579135  69.23213 33.04936 124.0650 46.04942 -54.83290      56.68165 
1 1 1 -35 9  15 o 170.1781 35.40778 8.537888       2.742184  12.10167       3.879093  4.977995       3.876977  193.4927 43.65635 120.9038 47.18021 72.58891       64.27946 
1 1 1 -35 9  16 o 297.8906 31.01630 25.07505       4.282529  29.26576       4.816806  9.265756       9.355602  319.3404 32.51911 129.9414 60.88734 189.3989       69.02724 
1 1 1 -35 9  17 o 272.2973 29.07733 20.89343       3.666900  19.85732       5.203982  21.91518       5.167768  233.4328 48.95544 252.4819 45.16973 -19.04907      66.61036 
1 1 1 -35 9  18 f 511.8769 32.96040 78.86446       7.894275  78.86446       7.894275  0.000000       0.000000  511.8769 32.96040 ?        ?        0.000000       32.96040 
1 1 1 -35 9  19 o 217.7531 38.46408 15.93917       3.795855  24.67004       5.872696  9.674296       4.974676  239.3363 53.50634 132.7103 52.92785 106.6260       75.26145 
1 1 1 -35 9  20 o 97.06936 45.62672 4.209275       5.323887  4.209275       5.323887  0.000000       0.000000  97.06936 45.62672 ?        ?        0.000000       45.62672 
1 1 1 -35 9  21 o 82.57971 40.66031 0.6224733      5.582458  0.6224733      5.582458  0.000000       0.000000  82.57971 40.66031 ?        ?        0.000000       40.66031 
1 1 1 -35 9  22 o 95.70858 46.29893 8.457194       6.375548  8.457194       6.375548  0.000000       0.000000  95.70858 46.29893 ?        ?        0.000000       46.29893 
1 1 1 -35 11 1  o 377.7776 26.70549 35.72313       4.715184  35.10234       6.637577  36.35553       6.699407  361.8301 39.64651 368.7365 39.22573 -6.906342      55.77189 
1 1 1 -35 11 2  o 167.9212 43.68047 7.995155       3.483069  9.956553       5.504612  6.685494       4.498041  177.7069 57.62087 150.9765 52.12844 26.73041       77.70160 
1 1 1 -35 11 3  o 118.1045 40.95837 3.665473       2.778368  4.087137       5.056626  3.483124       3.325292  131.0445 52.97577 118.3278 44.29402 12.71676       69.05355 
1 1 1 -35 11 4  o 135.4429 36.53892 5.018537       2.381630  5.719959       4.974854  4.809983       2.712686  141.9384 53.94465 131.6740 40.15031 10.26447       67.24636 
1 1 1 -35 11 5  o 299.7823 20.65438 22.09987       2.894873  14.93662       5.500415  24.84419       3.404537  219.8514 53.65738 316.2731 23.04220 -96.42171      58.39569 
1 1 1 -35 11 6  o 161.2968 34.84995 7.066229       2.566989  3.223883       4.809402  8.596910       3.035535  122.1831 50.77110 176.4558 37.71424 -54.27267      63.24609 
1 1 1 -35 11 7  f 173.2084 32.55849 8.026875       2.555400  5.543575       4.310294  9.372771       3.173205  137.1972 50.61164 183.7236 37.97194 -46.52640      63.27248 
1 1 1 -35 11 8  o 79.39709 34.48149 0.2558578      2.393344  -3.316903      3.759759  2.689953       3.103322  77.84636 37.10207 107.3183 42.11732 -29.47193      56.12872 
1 1 1 -35 11 9  o 225.9285 24.79156 13.00174       2.591481  11.28874       3.657074  14.72949       3.672792  198.3402 40.56509 232.7334 34.60098 -34.39317      53.31748 
1 1 1 -35 11 10 o 236.9628 32.69333 15.16282       3.547202  15.16282       3.547202  0.000000       0.000000  236.9628 32.69333 ?        ?        0.000000       32.69333 
1 1 1 -35 11 11 o 85.41257 34.48287 1.383376       2.139389  -0.1566706     2.722354  3.870393       3.459530  79.40544 35.51805 116.9678 44.85756 -37.56233      57.21655 
1 1 1 -35 11 12 o 227.2569 23.81705 13.27174       2.508259  12.85837       3.156164  13.98038       4.132361  216.7630 31.90777 215.3557 42.30100 1.407288       52.98566 
1 1 1 -35 11 13 o 98.96318 39.95559 2.377197       2.872512  0.8225458      4.167567  3.784186       3.964711  96.83995 43.58181 114.4499 46.67188 -17.60993      63.85639 
1 1 1 -35 11 14 o 196.7954 26.15063 10.31778       2.360899  10.27510       2.791239  10.42509       4.425627  190.9182 32.22734 168.9825 51.22934 21.93564       60.52311 
1 1 1 -35 11 15 o 102.7816 38.39028 3.141803       2.495262  1.261872       2.978655  7.565399       4.569166  88.23782 38.39435 137.8083 51.85580 -49.57051      64.52248 
1 1 1 -35 11 16 o 134.9173 39.79616 6.022499       2.698406  5.642093       3.406124  6.663633       4.421925  124.3635 45.12521 127.7785 50.23415 -3.415016      67.52596 
1 1 1 -35 11 17 o 91.39383 39.04885 2.146755       2.974658  5.032700       4.243750  -0.6408303     4.170804  112.9146 47.36529 83.53752 39.60125 29.37704       61.73920 
1 1 1 -35 11 18 o 273.9580 29.73409 22.00851       3.770329  28.13912       5.525541  16.66726       5.157559  282.7444 42.89045 192.2253 54.52204 90.51917       69.37033 
1 1 1 -35 11 19 o 99.78393 42.92992 4.020397       3.640366  4.803805       5.162076  3.245322       5.134545  101.8218 46.84669 95.70148 44.92735 6.120293       64.90823 
1 1 1 -35 11 20 o 74.90968 37.28275 -3.112366      5.184381  -3.112366      5.184381  0.000000       0.000000  74.90968 37.28275 ?        ?        0.000000       37.28275 
1 1 1 -35 11 21 o 109.6172 50.13936 10.48157       5.795964  10.48157       5.795964  0.000000       0.000000  109.6172 50.13936 ?        ?        0.000000       50.13936 
1 1 1 -35 13 1  o 210.8657 32.13197 11.58420       3.086478  9.869205       5.923129  12.22346       3.616251  175.2884 59.84569 213.2057 37.42212 -37.91734      70.58273 
1 1 1 -35 13 2  o 312.5107 26.68401 24.58351       3.885103  19.94827       5.740203  28.50179       5.277628  263.0842 48.15817 329.6185 34.55119 -66.53430      59.27052 
1 1 1 -35 13 3  f 267.9105 22.66623 17.79559       2.829732  25.29046       5.743953  15.39363       3.251705  303.2016 41.35099 245.3007 28.72399 57.90091       50.34850 
1 1 1 -35 13 4  o 299.8401 21.04039 22.14426       2.948858  11.34483       5.630498  26.22607       3.461569  186.2506 58.02543 325.1840 22.77321 -138.9334      62.33434 
1 1 1 -35 13 5  o 301.0097 20.81016 22.33429       2.928538  26.58520       5.848385  20.91170       3.383263  309.3689 41.21262 288.1736 25.21183 21.19528       48.31269 
1 1 1 -35 13 6  o 166.0224 37.38829 7.657764       2.849689  3.926077       4.160965  10.95422       3.910796  123.5613 48.68050 194.2467 43.84023 -70.68547      65.51150 
1 1 1 -35 13 7  o 296.4015 22.72936 21.96014       3.144965  17.46564       4.499980  26.25149       4.397110  249.9737 39.58789 317.7388 29.76589 -67.76514      49.52988 
1 1 1 -35 13 8  o 496.8748 17.12263 60.08445       4.002089  54.11139       5.265917  68.25208       6.157770  463.2807 24.24783 519.5042 25.19794 -56.22348      34.96990 
1 1 1 -35 13 9  o 253.5021 23.39444 16.26533       2.758266  11.98940       3.598703  22.35434       4.294421  205.4012 38.66427 288.9286 32.14168 -83.52745      50.27935 
1 1 1 -35 13 10 f 195.4142 37.98177 10.92232       3.365638  10.92232       3.365638  0.000000       0.000000  195.4142 37.98177 ?        ?        0.000000       37.98177 
1 1 1 -35 13 11 o 113.8245 36.63597 3.727592       2.228375  4.224484       2.834937  2.924198       3.604764  119.1386 41.37004 108.4938 44.40251 10.64480       60.68825 
1 1 1 -35 13 12 o 283.0537 26.83458 21.11474       3.530310  19.97491       4.908197  22.33651       5.081538  256.7654 42.09573 273.5210 40.73746 -16.75565      58.57978 
1 1 1 -35 13 13 o 98.25904 40.90707 2.242764       3.130590  5.941409       4.400128  -1.548751      4.455028  129.3033 50.31669 87.41006 41.28473 41.89323       65.08608 
1 1 1 -35 13 14 o 188.7576 29.13444 9.846718       2.503633  11.83596       2.931339  4.482759       4.813549  204.8092 31.43000 116.3733 49.69617 88.43588       58.80097 
1 1 1 -35 13 15 o 193.4297 29.54590 10.52354       2.603088  11.26554       2.987454  8.183710       5.305061  195.6823 33.66916 135.1089 54.38678 60.57335       63.96510 
1 1 1 -35 13 16 o 79.21252 34.79406 0.8661332      2.497637  0.9058561      2.810663  0.7170036      5.445900  82.03741 36.43126 95.47271 45.25695 -13.43530      58.09843 
1 1 1 -35 13 17 o 109.5936 43.36848 4.579170       3.316015  1.681926       4.487970  8.062465       4.920991  92.83511 43.05408 126.9317 51.90601 -34.09664      67.43803 
1 1 1 -35 13 18 o 202.8316 41.32613 14.62711       3.809172  16.09394       5.487192  13.26275       5.292070  172.3797 57.60738 153.3179 56.15307 19.06180       80.44736 
1 1 1 -35 13 19 o 110.0943 47.97591 6.855174       4.665571  12.29786       5.802083  -3.103449      7.848323  130.2577 55.04990 84.54019 42.59928 45.71751       69.60739 
1 1 1 -35 13 20 o 117.2026 51.83987 11.09096       5.635969  11.09096       5.635969  0.000000       0.000000  117.2026 51.83987 ?        ?        0.000000       51.83987 
1 1 1 -35 15 1  o 124.9626 40.08429 4.279618       2.669329  -1.872473      5.888632  5.870708       2.994680  105.9587 49.20229 144.1211 41.75762 -38.16238      64.53344 
1 1 1 -35 15 2  o 136.3368 37.27486 5.128033       2.459111  5.152752       4.909780  5.119755       2.841166  136.8601 53.18040 134.9711 41.07557 1.889053       67.19640 
1 1 1 -35 15 3  o 128.4665 36.28905 4.536112       2.289659  8.222348       4.852578  3.480375       2.596922  161.4992 54.17279 114.5036 39.60467 46.99567       67.10605 
1 1 1 -35 15 4  o 466.5764 32.92418 57.13259       7.179776  57.13259       7.179776  0.000000       0.000000  466.5764 32.92418 ?        ?        0.000000       32.92418 
1 1 1 -35 15 5  o 397.0613 18.61145 38.47245       3.476218  27.14624       6.132189  43.83566       4.219735  308.4284 43.47190 420.9535 21.38012 -112.5250      48.44498 
1 1 1 -35 15 6  o 274.0758 23.89875 18.92856       3.050336  11.63417       4.353008  25.96611       4.275686  195.4013 47.76064 316.4589 29.04647 -121.0576      55.89970 
1 1 1 -35 15 7  o 154.0227 36.11326 6.650992       2.571081  2.942493       3.673762  10.21106       3.599491  111.8091 45.17043 187.0121 41.94994 -75.20306      61.64548 
1 1 1 -35 15 8  o 67.15080 30.91744 -1.084032      2.253930  -0.7830989     3.435136  -1.311534      2.986765  84.54980 38.64555 76.37253 35.31444 8.177277       52.35062 
1 1 1 -35 15 9  o 87.37894 39.40798 -0.1470586     3.428812  -0.1470586     3.428812  0.000000       0.000000  87.37894 39.40798 ?        ?        0.000000       39.40798 
1 1 1 -35 15 10 o 61.28187 29.09596 -2.054489      2.268461  -2.685990      2.907624  -1.072235      3.626294  67.86438 32.42276 83.85112 38.82156 -15.98674      50.58013 
1 1 1 -35 15 11 o 81.50600 35.01797 0.7691985      2.416187  -1.454991      2.908786  5.719382       4.339468  73.12572 34.16359 129.9279 50.13257 -56.80219      60.66651 
1 1 1 -35 15 12 o 155.0794 43.80525 7.851339       3.336406  8.188844       4.503034  7.440547       4.967931  147.6906 52.08337 138.9709 53.63496 8.719681       74.76220 
1 1 1 -35 15 13 o 222.3190 35.77425 14.55685       3.614343  11.94832       4.679882  18.41261       5.689730  177.6450 52.41158 220.4131 55.04193 -42.76810      76.00387 
1 1 1 -35 15 14 o 224.2452 26.06522 13.60836       2.698207  15.88351       3.131877  7.057076       5.314502  239.6727 28.32673 128.1761 53.32508 111.4967       60.38185 
1 1 1 -35 15 15 o 139.4792 39.61076 6.515642       2.720485  6.841429       3.104250  5.436980       5.648490  138.3528 43.08171 114.9411 51.30531 23.41174       66.99454 
1 1 1 -35 15 16 o 96.00815 39.39711 2.901941       2.847288  3.021574       3.240454  2.496730       5.963770  97.47797 41.16529 100.0436 47.40510 -2.565590      62.78395 
1 1 1 -35 15 17 o 122.1843 44.50544 6.233662       3.317804  7.792912       3.865016  1.866825       6.468102  130.7420 47.97267 95.42786 46.27931 35.31410       66.65697 
1 1 1 -35 15 18 o 187.1156 45.23835 13.97307       3.937973  18.66231       6.058650  10.54287       5.181848  170.3330 60.37640 129.2938 53.11295 41.03925       80.41328 
1 1 1 -35 17 1  o 128.0042 38.38951 4.562291       2.495071  9.325209       6.276075  3.668212       2.719189  165.7599 61.08429 116.7868 40.51877 48.97312       73.30117 
1 1 1 -35 17 2  o 133.7049 37.39802 4.990284       2.444255  10.90481       4.958679  3.091958       2.809256  184.5313 53.81041 110.3800 40.83144 74.15131       67.54826 
1 1 1 -35 17 3  o 346.8776 19.26301 29.52516       3.130813  20.54681       5.179137  34.69544       3.930212  269.0015 42.32772 373.3466 22.48356 -104.3451      47.92855 
1 1 1 -35 17 4  o 118.8517 37.51294 3.931831       2.345101  1.402720       4.471410  4.891459       2.754304  107.2946 46.85556 130.5233 40.57048 -23.22871      61.97908 
1 1 1 -35 17 5  o 113.3251 41.25389 3.467988       2.850107  1.216408       4.569277  4.901903       3.646409  106.2942 46.86282 129.1127 46.71405 -22.81852      66.16892 
1 1 1 -35 17 6  o 159.8668 35.93396 7.177425       2.636546  2.054444       3.527804  13.65934       3.968210  103.5717 43.29750 218.2654 40.12790 -114.6937      59.03322 
1 1 1 -35 17 7  o 79.07060 34.36649 0.3587971      2.381099  -0.9247491     3.402724  1.590369       3.333119  83.13574 38.16996 98.04369 41.59575 -14.90794      56.45487 
1 1 1 -35 17 8  o 76.12196 34.14500 -0.2573778     2.534782  5.715294       3.357658  -8.171820      3.865113  134.9367 45.06327 63.46235 31.68226 71.47433       55.08597 
1 1 1 -35 17 9  o 94.46563 40.56134 1.412379       3.238198  1.412379       3.238198  0.000000       0.000000  94.46563 40.56134 ?        ?        0.000000       40.56134 
1 1 1 -35 17 10 o 156.2018 36.22128 7.153573       2.609726  6.304298       3.122103  9.123069       4.754453  140.2074 43.13100 156.0873 53.61069 -15.87988      68.80691 
1 1 1 -35 17 11 o 114.7679 43.56203 4.135581       3.241497  0.9404595      4.274386  8.460167       4.972815  96.60838 43.74533 146.0168 54.26326 -49.40842      69.70047 
1 1 1 -35 17 12 o 130.9109 44.76522 5.933642       3.314162  10.26823       4.433827  0.4456005      4.989002  163.9400 51.55966 96.88094 45.08702 67.05904       68.49261 
1 1 1 -35 17 13 o 84.79411 38.64833 0.3581392      3.405311  -3.522380      4.422326  6.010702       5.337385  77.81326 37.85844 121.5620 52.13179 -43.74874      64.42814 
1 1 1 -35 17 14 o 106.0252 42.26258 3.796386       3.170259  2.889859       3.690962  6.346611       6.190683  99.67620 43.05413 118.1520 53.15028 -18.47581      68.40037 
1 1 1 -35 17 15 o 69.55500 33.02380 -1.329245      2.922204  -1.953742      3.335208  0.7342450      6.062600  71.02663 34.14249 95.01169 45.75938 -23.98505      57.09317 
1 1 1 -35 19 1  o 253.9521 29.58505 16.84691       3.467975  20.35077       6.973464  15.69560       3.997330  242.7161 61.11541 238.9191 36.74434 3.797012       71.31087 
1 1 1 -35 19 2  o 165.3172 34.24158 7.504188       2.575216  5.249391       4.636835  8.509886       3.096719  132.9917 51.68000 172.7528 39.02769 -39.76114      64.76096 
1 1 1 -35 19 3  o 176.9237 32.15390 8.460712       2.577447  7.796172       4.537642  8.777246       3.131700  153.8279 52.38150 175.0729 39.02348 -21.24496      65.31963 
1 1 1 -35 19 4  o 243.3180 24.57821 15.11565       2.774593  12.33809       4.818729  16.49325       3.393602  194.1662 51.80032 250.1822 29.39634 -56.01607      59.56021 
1 1 1 -35 19 5  o 159.3181 39.19674 7.423482       2.917421  8.282614       4.540210  6.819263       3.807531  156.0170 52.39988 145.6536 47.95785 10.36346       71.03311 
1 1 1 -35 19 6  o 121.7926 43.63934 4.446527       3.173331  -1.838426      4.521015  10.54994       4.455243  89.45808 42.04805 177.3395 50.80288 -87.88145      65.94672 
1 1 1 -35 19 7  o 80.26849 38.70472 -3.845200      4.369389  -3.845200      4.369389  0.000000       0.000000  80.26849 38.70472 ?        ?        0.000000       38.70472 
1 1 1 -35 19 9  o 158.1154 39.50988 7.677237       2.930350  7.310557       3.653773  8.338288       4.905870  146.0661 46.90142 146.6357 54.01080 -0.5695801     71.53258 
1 1 1 -35 19 10 o 93.00946 40.23198 1.581418       3.232224  -0.1478566     4.283719  3.867420       4.925239  90.86955 42.11438 113.7945 49.44249 -22.92492      64.94753 
1 1 1 -35 19 11 o 86.15710 39.39535 0.2219626      3.574039  -1.231242      4.488045  2.741082       5.909059  86.68214 41.08840 108.5443 50.00706 -21.86218      64.72220 
1 1 1 -35 19 12 o 166.8352 46.26624 10.01921       3.757765  13.63321       4.735440  3.873365       6.175283  186.6109 52.00398 110.6752 51.03618 75.93571       72.86361 
1 1 1 -35 21 1  o 75.42290 34.71495 -1.092449      2.838540  9.280619       6.657473  -3.397147      3.138071  155.6778 61.49899 68.67464 33.03761 87.00314       69.81123 
1 1 1 -35 21 2  o 109.7318 41.48456 3.252043       2.932259  4.393579       6.176367  2.919884       3.331665  127.4501 55.37148 108.2495 43.26723 19.20063       70.27129 
1 1 1 -35 21 3  o 101.7806 41.60933 2.314860       3.161156  2.295482       6.353549  2.321235       3.644236  117.6279 53.29216 104.6939 43.90335 12.93400       69.04751 
1 1 1 -35 21 4  o 280.1335 25.06726 20.27378       3.268332  10.50405       4.873008  28.26204       4.406379  171.3783 54.07353 326.2256 29.01701 -154.8473      61.36720 
1 1 1 -35 21 5  o 98.29401 41.79549 1.834186       3.378240  -0.2186786     4.648493  4.131986       4.917995  96.01473 44.27715 119.9459 50.68671 -23.93114      67.30237 
1 1 1 -35 21 6  o 132.4561 42.07128 5.538717       2.946073  4.591457       3.661821  7.277052       4.960543  120.5705 46.17155 139.9149 53.70105 -19.34435      70.82100 
1 1 1 -35 21 7  o 116.4435 43.53642 4.250361       3.210631  3.003764       3.686124  8.168847       6.535306  106.6426 44.39216 138.9508 58.55796 -32.30818      73.48264 
1 1 1 -35 21 8  o 98.12835 44.43066 1.212627       4.408525  1.212627       4.408525  0.000000       0.000000  98.12835 44.43066 ?        ?        0.000000       44.43066 
1 1 1 -34 0  1  o 117.5654 66.04843 4.785303       5.528020  4.785303       5.528020  4.785303       5.528020  117.5654 66.04843 117.5654 66.04843 0.000000       0.000000 
1 1 1 -34 0  2  o 98.11938 59.22455 2.534690       4.996590  2.534690       4.996590  2.534690       4.996590  98.11938 59.22455 98.11938 59.22455 0.000000       0.000000 
1 1 1 -34 0  3  o 99.43717 58.61307 2.948518       4.679105  2.948518       4.679105  2.948518       4.679105  99.43717 58.61307 99.43717 58.61307 0.000000       0.000000 
1 1 1 -34 0  4  o 142.0106 65.65485 7.283072       4.836847  7.283072       4.836847  7.283072       4.836847  142.0106 65.65485 142.0106 65.65485 0.000000       0.000000 
1 1 1 -34 0  5  o 52.15755 37.23320 -5.898374      4.098500  -5.898374      4.098500  -5.898374      4.098500  52.15755 37.23320 52.15755 37.23320 0.000000       0.000000 
1 1 1 -34 0  6  o 183.3976 58.36854 10.30916       4.434103  10.30916       4.434103  10.30916       4.434103  183.3976 58.36854 183.3976 58.36854 0.000000       0.000000 
1 1 1 -34 0  7  o 81.39550 50.33343 1.340963       3.807459  1.340963       3.807459  1.340963       3.807459  81.39550 50.33343 81.39550 50.33343 0.000000       0.000000 
1 1 1 -34 0  8  o 116.2012 52.69412 4.779963       3.109359  4.779963       3.109359  4.779963       3.109359  116.2012 52.69412 116.2012 52.69412 0.000000       0.000000 
1 1 1 -34 0  9  o 120.8127 51.68769 5.050310       2.999539  5.050310       2.999539  5.050310       2.999539  120.8127 51.68769 120.8127 51.68769 0.000000       0.000000 
1 1 1 -34 0  10 o 108.7716 48.67163 4.158038       2.651477  4.158038       2.651477  4.158038       2.651477  108.7716 48.67163 108.7716 48.67163 0.000000       0.000000 
1 1 1 -34 0  11 o 72.47404 43.84142 1.307786       2.750045  1.307786       2.750045  1.307786       2.750045  72.47404 43.84142 72.47404 43.84142 0.000000       0.000000 
1 1 1 -34 0  12 o 383.4332 24.99469 35.44560       4.464295  35.44560       4.464295  35.44560       4.464295  383.4332 24.99469 383.4332 24.99469 0.000000       0.000000 
1 1 1 -34 0  13 o 258.7371 30.49347 16.67715       3.576090  16.67715       3.576090  16.67715       3.576090  258.7371 30.49347 258.7371 30.49347 0.000000       0.000000 
1 1 1 -34 0  14 o 117.1213 78.04474 -0.6456600     11.64966  -0.6456600     11.64966  -0.6456600     11.64966  117.1213 78.04474 117.1213 78.04474 0.000000       0.000000 
1 1 1 -34 0  15 o 443.7361 26.53905 47.54521       5.494237  47.54521       5.494237  47.54521       5.494237  443.7361 26.53905 443.7361 26.53905 0.000000       0.000000 
1 1 1 -34 0  16 o 82.76148 50.66787 1.680167       3.770529  1.680167       3.770529  1.680167       3.770529  82.76148 50.66787 82.76148 50.66787 0.000000       0.000000 
1 1 1 -34 0  17 o 281.9365 39.88847 20.47072       4.984843  20.47072       4.984843  20.47072       4.984843  281.9365 39.88847 281.9365 39.88847 0.000000       0.000000 
1 1 1 -34 0  18 o 206.5819 51.77292 12.30064       4.351970  12.30064       4.351970  12.30064       4.351970  206.5819 51.77292 206.5819 51.77292 0.000000       0.000000 
1 1 1 -34 0  19 o 110.0964 56.25322 4.605334       3.679076  4.605334       3.679076  4.605334       3.679076  110.0964 56.25322 110.0964 56.25322 0.000000       0.000000 
1 1 1 -34 0  20 o 254.5030 60.75344 18.99524       6.310812  18.99524       6.310812  18.99524       6.310812  254.5030 60.75344 254.5030 60.75344 0.000000       0.000000 
1 1 1 -34 0  21 o 188.6018 71.51897 12.69620       5.957196  12.69620       5.957196  12.69620       5.957196  188.6018 71.51897 188.6018 71.51897 0.000000       0.000000 
1 1 1 -34 0  22 o 96.89473 59.85270 2.819858       5.368871  2.819858       5.368871  2.819858       5.368871  96.89473 59.85270 96.89473 59.85270 0.000000       0.000000 
1 1 1 -34 0  23 o 206.8095 79.74676 16.32283       7.355873  16.32283       7.355873  16.32283       7.355873  206.8095 79.74676 206.8095 79.74676 0.000000       0.000000 
1 1 1 -34 2  1  o 196.8550 42.11096 10.38533       3.781555  5.823017       5.426186  14.69361       5.272959  150.8618 56.56043 229.7755 50.18937 -78.91370      75.61783 
1 1 1 -34 2  2  o 119.2136 45.49554 3.100688       3.547740  8.153243       5.176369  -1.375118      4.871977  169.1127 55.92925 102.6780 46.57820 66.43472       72.78468 
1 1 1 -34 2  3  o 134.8165 46.04548 4.752779       3.506397  6.654613       4.997169  2.908264       4.921289  155.5087 54.86383 126.7858 51.88399 28.72286       75.51151 
1 1 1 -34 2  4  o 156.3920 44.71231 6.743910       3.454422  8.859587       5.346913  5.228194       4.525717  173.7483 56.81337 141.7691 51.92757 31.97922       76.96903 
1 1 1 -34 2  5  o 75.00213 34.71310 -1.848678      2.895832  -0.6899560     4.712451  -2.551711      3.670667  103.2962 46.42886 82.46139 38.47559 20.83481       60.29934 
1 1 1 -34 2  6  o 132.2769 44.02372 4.702574       3.205312  9.447086       6.054459  2.854935       3.778227  175.2427 60.48007 117.0520 46.30114 58.19077       76.16846 
1 1 1 -34 2  7  o 146.3295 39.70980 5.873409       2.803131  9.922712       4.289709  2.855827       3.703115  185.0578 48.63913 115.9420 45.84604 69.11579       66.84029 
1 1 1 -34 2  8  f 78.68217 34.33742 -0.1505239E-02 2.397766  3.605827       3.987530  -2.044590      3.000917  123.0404 47.89401 74.81557 34.86814 48.22485       59.24208 
1 1 1 -34 2  9  o 346.0260 17.12730 28.92775       2.787835  30.58544       3.821629  27.04221       4.075823  351.2489 23.26107 327.5640 26.68336 23.68484       35.39885 
1 1 1 -34 2  10 o 180.1152 27.52839 8.348234       2.258328  13.37837       3.285817  3.844815       3.109028  225.8255 31.81320 119.9817 43.17327 105.8438       53.62845 
1 1 1 -34 2  11 o 295.7590 19.84472 21.52945       2.744909  24.40878       4.077050  19.14225       3.712310  308.0172 28.46036 271.6682 29.52465 36.34891       41.00850 
1 1 1 -34 2  12 o 212.3246 23.86944 11.41525       2.342708  12.63288       3.408341  10.32482       3.225400  215.4623 34.81533 192.8242 36.90360 22.63815       50.73444 
1 1 1 -34 2  13 o 494.7307 16.47765 59.52057       3.834718  65.30031       5.516538  54.11645       5.334273  510.3438 22.97917 461.9624 24.63601 48.38144       33.68940 
1 1 1 -34 2  14 o 164.0947 66.31223 11.55784       7.919929  0.1292509      9.703518  34.36386       13.70748  124.1406 59.28736 228.9110 88.88372 -104.7704      106.8424 
1 1 1 -34 2  15 o 182.4044 73.20389 17.71700       9.579543  17.71700       9.579543  0.000000       0.000000  182.4044 73.20389 ?        ?        0.000000       73.20389 
1 1 1 -34 2  16 o 186.7047 31.49854 9.623700       2.667953  8.944322       3.579921  10.47240       4.001249  167.0168 44.68886 178.6362 46.98686 -11.61935      64.84489 
1 1 1 -34 2  17 o 176.4579 35.40707 9.078794       2.836809  7.335712       3.786497  11.30888       4.282917  144.7784 47.83271 180.4866 49.12875 -35.70822      68.56823 
1 1 1 -34 2  18 o 480.8818 17.79366 57.72372       4.025065  63.28643       5.610085  51.82253       5.778243  491.4630 24.26662 436.2532 28.31009 55.20978       37.28713 
1 1 1 -34 2  19 o 170.0472 40.20205 9.387912       3.165098  9.922712       4.898119  9.004510       4.147253  150.1538 54.16986 150.6534 50.07323 -0.4996185     73.76789 
1 1 1 -34 2  20 o 239.5291 38.05193 18.31086       4.144118  20.24079       5.784117  16.27527       5.940341  217.1819 56.18940 179.1072 59.93848 38.07471       82.15759 
1 1 1 -34 2  21 o 218.5792 44.32487 17.41390       4.401558  25.10999       6.191665  9.551130       6.258357  236.5916 56.42586 123.6852 54.67122 112.9064       78.56730 
1 1 1 -34 2  22 o 82.91381 40.85362 -1.293698      5.668853  0.000000       0.000000  -1.293698      5.668853  ?        ?        82.91381 40.85362 0.000000       40.85362 
1 1 1 -34 2  23 o 88.88009 43.59626 2.797860       6.223980  2.797860       6.223980  0.000000       0.000000  88.88009 43.59626 ?        ?        0.000000       43.59626 
1 1 1 -34 4  1  o 108.7883 49.38679 -1.372431      5.490299  -1.372431      5.490299  0.000000       0.000000  108.7883 49.38679 ?        ?        0.000000       49.38679 
1 1 1 -34 4  2  o 199.5024 42.02341 10.71447       3.819200  10.97384       5.948950  10.53262       4.981293  191.5560 59.63812 191.1577 53.36020 0.3983154      80.02510 
1 1 1 -34 4  3  o 90.85220 40.25293 -0.3993796     3.412151  3.907226       5.298768  -3.450393      4.459944  135.3402 54.39864 88.79052 41.74351 46.54966       68.56918 
1 1 1 -34 4  4  o 123.1453 43.30497 3.832450       3.111010  7.015893       5.263951  2.123675       3.856610  157.6570 56.23532 112.5953 45.98656 45.06168       72.64417 
1 1 1 -34 4  5  o 101.8020 41.16247 1.723865       3.053535  7.392985       8.398286  0.8602518      3.277876  164.4478 67.59261 97.22054 41.24824 67.22726       79.18445 
1 1 1 -34 4  6  o 140.5301 45.95691 5.460400       3.498636  9.836505       7.365847  4.185494       3.975739  175.9029 65.90849 129.1417 48.41494 46.76118       81.77980 
1 1 1 -34 4  7  o 330.6814 24.84319 27.15842       3.836196  32.84780       6.688875  24.36980       4.682900  348.1353 41.67295 307.1346 32.92624 41.00070       53.11094 
1 1 1 -34 4  8  o 207.3935 27.84625 10.95701       2.648006  7.623842       4.408114  12.83888       3.312220  159.6064 51.54397 221.6785 32.74939 -62.07211      61.06802 
1 1 1 -34 4  9  o 212.3624 25.16310 11.36765       2.464793  11.57216       3.482261  11.16231       3.489238  206.6355 37.19279 202.2357 38.07489 4.399811       53.22594 
1 1 1 -34 4  10 o 157.7731 29.95484 6.545926       2.141844  8.198978       2.968289  4.750298       3.093649  172.1818 37.69342 129.6540 43.25485 42.52785       57.37400 
1 1 1 -34 4  11 o 176.0326 27.07037 8.005574       2.169791  10.63085       3.169482  5.689981       2.976681  197.5993 35.39845 140.1224 41.91026 57.47693       54.85910 
1 1 1 -34 4  12 o 180.0382 27.93668 8.458342       2.289294  7.595671       3.268870  9.288724       3.207113  160.3821 42.60608 181.0357 38.82488 -20.65358      57.64242 
1 1 1 -34 4  13 o 139.4626 42.40113 5.813311       3.028577  7.094224       3.132703  -12.50000      11.84521  154.3302 42.02042 111.9669 55.82711 42.36326       69.87405 
1 1 1 -34 4  14 o 219.4196 33.90857 13.24032       3.387047  13.28752       3.485575  12.44055       14.34679  218.7729 35.05328 156.0070 73.80655 62.76595       81.70764 
1 1 1 -34 4  15 o 96.50220 41.71115 1.391376       3.468978  -1.024673      7.830768  1.981272       3.869361  111.9271 53.40038 103.1210 44.30980 8.806046       69.38991 
1 1 1 -34 4  16 o 87.93514 39.39752 0.3437124      3.364092  4.140904       7.072181  -0.7667468     3.824489  123.3541 56.01947 86.30466 39.92609 37.04944       68.79153 
1 1 1 -34 4  17 o 94.62661 37.74992 2.229748       2.531286  0.9541178      3.215193  4.309486       4.105339  89.26174 39.33424 116.5903 47.51262 -27.32859      61.68169 
1 1 1 -34 4  18 o 214.7440 27.79246 12.59940       2.741619  14.88026       3.540787  9.184725       4.332363  225.7179 34.43824 153.9783 51.17854 71.73956       61.68658 
1 1 1 -34 4  19 o 68.18736 32.46924 -1.837054      2.865827  -7.559453      4.141171  3.422132       3.970026  64.79105 32.41227 105.0106 44.99533 -40.21955      55.45390 
1 1 1 -34 4  20 o 102.1312 43.40832 3.498430       3.641121  10.26159       5.091827  -3.579073      5.208812  143.7295 54.58721 80.72723 39.65479 63.00230       67.47048 
1 1 1 -34 4  21 o 98.50665 43.79744 3.439766       4.073967  10.12188       5.776151  -3.174792      5.746879  128.8074 54.70811 81.90993 40.50283 46.89751       68.06950 
1 1 1 -34 4  22 o 76.18591 37.06868 -1.313908      4.241249  -7.285970      5.283587  9.506540       7.111961  69.26405 34.90796 110.7811 52.27423 -41.51706      62.85826 
1 1 1 -34 4  23 o 72.32011 36.56754 -6.076100      6.108207  -6.076100      6.108207  0.000000       0.000000  72.32011 36.56754 ?        ?        0.000000       36.56754 
1 1 1 -34 4  24 o 99.75452 48.55993 12.05708       7.303067  12.05708       7.303067  0.000000       0.000000  99.75452 48.55993 ?        ?        0.000000       48.55993 
1 1 1 -34 6  1  o 98.34806 44.09908 -0.7797292     4.224138  6.174198       11.01494  -1.978749      4.573833  169.1744 73.71885 96.39742 44.25686 72.77702       85.98336 
1 1 1 -34 6  2  o 124.0879 46.23468 3.658408       3.614807  2.127603       5.645308  4.722234       4.706119  126.4963 53.91387 138.2967 52.48977 -11.80044      75.24548 
1 1 1 -34 6  3  o 299.3673 27.59535 22.35770       3.842315  22.03848       6.384306  22.53899       4.811202  279.9812 50.32475 295.3820 35.32672 -15.40076      61.48624 
1 1 1 -34 6  4  o 258.7834 38.02390 17.65598       4.490710  29.67301       10.82423  15.15755       4.935508  290.7278 77.67176 233.3470 46.59488 57.38077       90.57585 
1 1 1 -34 6  5  o 230.4831 76.84679 19.53032       9.765102  19.53032       9.765102  0.000000       0.000000  230.4831 76.84679 ?        ?        0.000000       76.84679 
1 1 1 -34 6  6  o 555.1008 22.89560 75.55133       5.978513  68.51962       10.95029  78.53746       7.135917  495.1400 47.60076 561.4952 27.01683 -66.35519      54.73337 
1 1 1 -34 6  7  o 317.1126 23.88230 24.92769       3.536380  25.38942       7.356937  24.78894       4.032855  289.9518 55.96600 313.5591 27.62374 -23.60727      62.41206 
1 1 1 -34 6  8  o 202.8592 28.74427 10.56245       2.666189  13.03579       4.467706  9.194412       3.322715  213.1272 45.91838 182.2898 39.85997 30.83743       60.80555 
1 1 1 -34 6  9  o 306.2487 20.12845 23.01575       2.883554  29.87241       4.249447  17.16409       3.925689  344.0269 26.46150 255.0788 33.52925 88.94804       42.71325 
1 1 1 -34 6  10 o 90.31671 35.23131 1.657113       2.161272  1.660668       2.966710  1.653092       3.154969  97.91327 40.20102 99.51559 41.21754 -1.602318      57.57610 
1 1 1 -34 6  11 o 131.0561 32.79886 4.680077       2.017197  5.160668       2.685335  4.057670       3.055962  134.4200 39.71389 120.9145 42.87767 13.50547       58.44388 
1 1 1 -34 6  12 o 204.6301 25.23661 10.71222       2.377764  14.47708       3.281913  6.552583       3.449691  234.1795 30.51785 146.8780 45.36296 87.30150       54.67300 
1 1 1 -34 6  13 o 166.7722 39.85666 8.092978       3.084158  7.708966       3.167356  15.11593       13.54516  161.3025 41.50313 167.1201 76.51764 -5.817627      87.04860 
1 1 1 -34 6  14 o 264.8758 36.15364 19.61925       4.387026  0.000000       0.000000  19.61925       4.387026  ?        ?        264.8758 36.15364 0.000000       36.15364 
1 1 1 -34 6  15 o 218.9042 35.41474 13.52794       3.522218  11.40012       7.177231  14.20296       4.042481  161.2219 63.80203 218.6457 40.80493 -57.42377      75.73468 
1 1 1 -34 6  16 o 130.4852 38.17068 5.152364       2.491622  5.559064       3.173425  4.498667       4.023269  131.2477 43.80964 119.6916 47.64150 11.55608       64.72247 
1 1 1 -34 6  17 o 460.4319 21.53531 54.05056       4.664295  54.05056       4.664295  0.000000       0.000000  460.4319 21.53531 ?        ?        0.000000       21.53531 
1 1 1 -34 6  18 o 157.3927 39.90160 7.932870       2.958268  10.27051       4.213656  5.660708       4.154222  165.2599 49.96212 123.3208 48.62344 41.93906       69.71694 
1 1 1 -34 6  19 o 187.8974 39.66430 11.40750       3.395732  13.02913       5.025242  10.04480       4.606601  173.2791 54.93716 152.5683 52.74943 20.71075       76.16163 
1 1 1 -34 6  20 o 105.8525 43.02045 4.077925       3.354287  3.629608       5.177033  4.402297       4.403622  103.2726 47.29210 106.9459 46.60664 -3.673248      66.39821 
1 1 1 -34 6  21 f 152.1912 49.48911 10.41787       4.059244  12.41082       5.449614  7.934008       6.083891  144.9086 56.10556 114.7198 52.04430 30.18884       76.52740 
1 1 1 -34 6  22 o 102.4457 48.00505 6.209870       5.816348  6.209870       5.816348  0.000000       0.000000  102.4457 48.00505 ?        ?        0.000000       48.00505 
1 1 1 -34 6  23 o 88.85970 43.58289 3.656362       6.216354  3.656362       6.216354  0.000000       0.000000  88.85970 43.58289 ?        ?        0.000000       43.58289 
1 1 1 -34 6  24 o 71.49675 36.24753 -3.891201      6.281879  -3.891201      6.281879  0.000000       0.000000  71.49675 36.24753 ?        ?        0.000000       36.24753 
1 1 1 -34 8  1  o 80.10266 38.30629 -4.469057      4.078798  -10.25862      11.28944  -3.599872      4.374270  125.4124 60.89435 86.99187 41.03289 38.42058       73.42902 
1 1 1 -34 8  2  o 497.2447 23.58957 60.46650       5.517716  26.71522       14.38049  66.29323       5.975046  248.3651 92.28090 519.9311 24.43015 -271.5660      95.45992 
1 1 1 -34 8  3  o 137.7601 45.21633 5.162967       3.385640  0.000000       0.000000  5.162967       3.385640  ?        ?        137.7601 45.21633 0.000000       45.21633 
1 1 1 -34 8  4  o 301.6431 26.19666 22.67175       3.680224  12.75565       10.59289  24.03296       3.924701  190.1308 76.74053 309.9631 27.19180 -119.8324      81.41562 
1 1 1 -34 8  5  o 280.8633 33.06204 20.38405       4.284467  2.111475       9.265549  25.35375       4.832103  142.8409 64.56793 313.3320 33.29410 -170.4911      72.64651 
1 1 1 -34 8  6  o 161.3028 39.32579 7.153020       2.956951  12.55054       8.241423  6.355530       3.167875  188.7847 69.91578 150.4251 42.75245 38.35959       81.95113 
1 1 1 -34 8  7  o 204.7613 32.49098 10.97548       3.025023  11.50714       7.214469  10.86207       3.332082  182.9056 65.77165 201.0687 36.57656 -18.16307      75.25793 
1 1 1 -34 8  8  o 521.1876 16.83621 65.60303       4.127696  63.34177       5.591270  68.31154       6.119287  505.9040 23.49487 523.8551 24.83250 -17.95114      34.18570 
1 1 1 -34 8  9  o 399.3494 17.55511 38.66916       3.297812  36.00787       4.477295  41.82521       4.875762  378.6396 25.28276 407.9211 25.53824 -29.28156      35.93633 
1 1 1 -34 8  10 o 270.8513 21.15162 18.16766       2.673530  19.27892       3.815459  17.09572       3.747346  272.1224 30.32228 254.7819 31.97100 17.34053       44.06342 
1 1 1 -34 8  11 o 240.3516 22.54406 14.46961       2.519090  14.53274       3.439289  14.39655       3.700049  233.9195 32.10255 230.1816 35.29799 3.737961       47.71291 
1 1 1 -34 8  12 o 265.3322 27.05779 18.15567       3.329901  18.15567       3.329901  0.000000       0.000000  265.3322 27.05779 ?        ?        0.000000       27.05779 
1 1 1 -34 8  13 o 213.4605 85.05310 28.05886       12.83521  0.000000       0.000000  28.05886       12.83521  ?        ?        213.4605 85.05310 0.000000       85.05310 
1 1 1 -34 8  14 f 191.4232 27.13273 9.634747       2.374798  7.804244       2.985329  12.78932       3.919021  162.6186 39.43294 207.4982 41.59911 -44.87964      57.31878 
1 1 1 -34 8  15 o 252.3584 30.81406 17.30070       3.581961  18.48692       6.675950  16.82115       4.244681  215.9685 62.28157 239.7987 38.96738 -23.83023      73.46735 
1 1 1 -34 8  16 o 315.1139 26.68322 26.28690       3.918110  25.87693       6.183886  26.56186       5.064377  280.1066 48.69993 303.2843 36.21444 -23.17767      60.68911 
1 1 1 -34 8  17 o 379.2599 18.70135 36.05677       3.336409  37.04865       4.019156  33.85821       5.983791  378.5113 22.67734 334.6801 38.72336 43.83115       44.87494 
1 1 1 -34 8  18 o 304.2298 38.33790 28.55529       5.364719  28.55529       5.364719  0.000000       0.000000  304.2298 38.33790 ?        ?        0.000000       38.33790 
1 1 1 -34 8  19 o 111.0959 43.99252 4.465847       3.414258  5.582640       5.167475  3.600571       4.548513  115.4131 50.38661 104.9624 46.49117 10.45068       68.55829 
1 1 1 -34 8  20 o 289.6888 31.04428 24.94649       4.164512  35.04757       6.578040  18.18976       5.379980  306.5468 47.12626 201.7436 55.12396 104.8032       72.52266 
1 1 1 -34 8  21 o 107.4568 46.10863 5.418193       4.179495  7.550536       5.531991  2.582343       6.379617  113.1023 50.60798 94.98715 46.04116 18.11510       68.41751 
1 1 1 -34 8  22 o 100.1861 47.53279 6.304995       6.032942  6.304995       6.032942  0.000000       0.000000  100.1861 47.53279 ?        ?        0.000000       47.53279 
1 1 1 -34 8  23 o 99.25439 47.55545 8.662308       6.353096  8.662308       6.353096  0.000000       0.000000  99.25439 47.55545 ?        ?        0.000000       47.55545 
1 1 1 -34 10 1  o 197.2413 42.52204 10.64458       3.829137  2.328181       11.20018  11.74528       4.074665  153.7619 70.08639 206.9731 43.24516 -53.21118      82.35439 
1 1 1 -34 10 2  o 288.8713 28.79820 21.01452       3.861103  13.78419       12.55113  21.77030       4.057886  194.4710 81.51045 293.3765 29.81836 -98.90544      86.79337 
1 1 1 -34 10 3  o 281.9382 27.89017 19.98125       3.650406  2.339477       11.73017  21.87295       3.841138  153.7417 70.69139 294.9958 28.01679 -141.2541      76.04087 
1 1 1 -34 10 4  o 226.4308 33.14165 13.32298       3.425533  15.42212       12.02653  13.13764       3.573558  198.0701 81.08776 223.5580 35.14083 -25.48796      88.37479 
1 1 1 -34 10 5  o 59.05296 28.75622 -4.072913      2.567120  -18.15696      9.453037  -2.951546      2.667360  98.29024 49.14055 65.39774 31.19152 32.89249       58.20399 
1 1 1 -34 10 6  o 253.8548 29.62132 16.49112       3.470680  -12.15517      9.436752  20.97206       3.732270  106.9809 52.71170 287.8222 27.91743 -180.8413      59.64819 
1 1 1 -34 10 7  o 102.9088 39.52200 2.343856       2.687871  9.154708       6.043015  0.6640903      3.001078  167.9721 60.21719 91.21673 39.10389 76.75541       71.79990 
1 1 1 -34 10 8  o 97.30766 37.05322 2.096356       2.349954  4.257451       3.850167  0.8133175      2.966623  126.5365 47.60382 91.61904 39.06677 34.91747       61.58195 
1 1 1 -34 10 9  o 189.2327 28.56153 9.273010       2.463283  10.23127       3.555820  8.388824       3.415624  190.3744 40.92414 170.6330 42.66623 19.74144       59.12015 
1 1 1 -34 10 10 o 399.5152 17.35067 38.77046       3.260761  38.27338       4.336218  39.41736       4.946671  391.0501 23.68439 393.4931 26.88526 -2.442963      35.82970 
1 1 1 -34 10 11 o 168.9801 29.83487 7.560127       2.284823  10.10859       3.071436  4.402497       3.418871  191.9875 35.31059 124.4519 45.20157 67.53557       57.35869 
1 1 1 -34 10 12 o 105.1572 39.57786 2.818435       2.661898  2.818435       2.661898  0.000000       0.000000  105.1572 39.57786 ?        ?        0.000000       39.57786 
1 1 1 -34 10 13 o 78.84364 33.00502 0.8163186      2.053879  -0.6906422     2.414680  4.759216       3.905857  71.87196 32.67576 125.7720 47.79915 -53.90005      57.90047 
1 1 1 -34 10 14 o 114.6119 34.79834 3.749081       2.040875  4.751974       2.497769  1.734683       3.539954  126.6023 38.50994 99.34908 42.52671 27.25321       57.37191 
1 1 1 -34 10 15 o 291.8303 27.74599 22.63585       3.763071  15.36861       6.029534  27.27253       4.816181  196.9049 59.81890 313.0017 33.21817 -116.0968      68.42329 
1 1 1 -34 10 16 o 73.52582 34.56658 -1.564530      3.058012  1.350476       4.411081  -4.261833      4.243168  99.39352 44.77406 76.03780 37.01468 23.35573       58.09305 
1 1 1 -34 10 17 o 264.8615 27.19985 19.02617       3.340746  22.34840       4.484201  14.88220       5.008159  275.2111 35.46282 198.5217 52.73587 76.68936       63.55063 
1 1 1 -34 10 18 o 294.5983 27.75648 24.01314       3.801138  31.95601       5.484867  16.67302       5.272652  322.8715 36.76912 203.6198 54.12019 119.2517       65.42908 
1 1 1 -34 10 19 o 125.0189 48.03564 6.632502       3.971763  12.90131       4.568451  -12.77349      8.037932  175.1405 51.81536 80.47512 40.82052 94.66534       65.96323 
1 1 1 -34 10 20 o 86.95709 39.52382 1.587294       3.529947  -0.2586505E-01 4.849068  3.405890       5.148583  85.92168 41.26759 98.89839 45.95137 -12.97671      61.76198 
1 1 1 -34 10 21 o 81.16112 39.94061 -1.347206      5.362759  -1.347206      5.362759  0.000000       0.000000  81.16112 39.94061 ?        ?        0.000000       39.94061 
1 1 1 -34 10 22 o 77.49661 38.69508 -2.131391      5.776013  -2.131391      5.776013  0.000000       0.000000  77.49661 38.69508 ?        ?        0.000000       38.69508 
1 1 1 -34 10 23 o 84.48947 41.78292 3.478003       6.121805  3.478003       6.121805  0.000000       0.000000  84.48947 41.78292 ?        ?        0.000000       41.78292 
1 1 1 -34 12 1  o 390.6496 18.75091 36.84797       3.445712  37.42569       7.596642  36.69832       3.866314  370.6984 44.45085 387.8999 21.27002 -17.20154      49.27770 
1 1 1 -34 12 2  o 83.88533 36.33581 0.1617023      2.643874  7.499994       5.497309  -2.046410      3.015527  159.6865 57.41414 75.43523 35.08867 84.25128       67.28743 
1 1 1 -34 12 3  o 147.7318 42.34553 6.065116       3.094544  15.76100       11.93079  5.365776       3.204202  200.0062 81.19125 139.2190 43.83841 60.78720       92.27039 
1 1 1 -34 12 4  o 254.3584 29.64458 16.49550       3.480457  -3.552319      12.49874  18.18074       3.623791  140.4015 67.11808 267.3995 29.28840 -126.9980      73.23010 
1 1 1 -34 12 5  o 127.1962 41.87435 4.398269       2.902860  -7.824019      10.70359  5.368609       3.015890  122.6380 59.48871 138.7308 42.34200 -16.09279      73.01884 
1 1 1 -34 12 6  o 244.6893 25.90691 15.06955       2.936593  14.77626       5.347346  15.19620       3.513882  221.6866 52.15009 241.9969 31.62433 -20.31035      60.98959 
1 1 1 -34 12 7  o 390.2344 19.23942 37.07568       3.531725  29.79876       5.092876  43.81689       4.901826  338.4019 32.38908 418.7607 24.99819 -80.35880      40.91408 
1 1 1 -34 12 8  o 493.3064 16.99543 58.89101       3.943830  57.32243       5.498555  60.55292       5.659775  479.0005 24.48483 492.9138 24.40950 -13.91327      34.57355 
1 1 1 -34 12 9  o 116.7578 36.93400 3.730512       2.272301  2.725800       3.279595  4.658145       3.151284  109.3260 43.17178 128.1219 43.65213 -18.79588      61.39471 
1 1 1 -34 12 10 o 121.8386 36.32091 4.129675       2.238402  8.732268       3.332613  0.3466112      3.021380  173.8781 41.34889 87.75182 38.41338 86.12628       56.43863 
1 1 1 -34 12 11 o 240.1967 23.45517 14.58158       2.616358  17.23072       3.334152  10.33591       4.220903  257.6540 27.95789 181.7549 48.47668 75.89914       55.96099 
1 1 1 -34 12 12 o 91.77328 37.21694 1.645429       2.504139  1.645429       2.504139  0.000000       0.000000  91.77328 37.21694 ?        ?        0.000000       37.21694 
1 1 1 -34 12 13 o 99.04337 35.43073 2.606111       2.090995  2.257164       2.443282  3.561237       4.042259  96.72763 37.53484 115.4410 47.10677 -18.71339      60.23215 
1 1 1 -34 12 14 o 268.7726 19.34783 18.05469       2.429805  14.84144       2.751767  29.42628       5.176667  239.0846 24.82970 324.1712 34.47652 -85.08661      42.48699 
1 1 1 -34 12 15 o 239.5778 52.97847 20.18728       5.812039  0.000000       0.000000  20.18728       5.812039  ?        ?        239.5778 52.97847 0.000000       52.97847 
1 1 1 -34 12 16 o 151.5486 43.46611 7.669523       3.259593  11.09988       4.937894  5.020318       4.339401  165.9734 54.61299 119.9034 48.85388 46.07001       73.27538 
1 1 1 -34 12 17 o 118.6800 42.98951 4.869370       3.089434  2.136742       4.157703  8.238294       4.616456  98.75973 44.05466 139.7963 52.21730 -41.03657      68.31881 
1 1 1 -34 12 18 o 82.17983 37.50378 0.4617927      3.219327  4.033888       4.340252  -3.907179      4.800020  106.9888 46.44940 77.91579 38.23182 29.07304       60.15994 
1 1 1 -34 12 19 o 111.4218 45.23060 5.082631       3.702641  8.249109       5.194407  1.811841       5.279273  124.8930 52.39697 94.89455 44.85693 29.99841       68.97527 
1 1 1 -34 12 20 o 124.9295 49.03750 7.915658       4.207594  15.06243       6.390788  2.447445       5.590134  144.4609 59.12195 93.65230 44.80193 50.80864       74.17963 
1 1 1 -34 12 21 o 117.8550 50.13747 8.876239       4.865674  10.36266       6.007013  6.040429       8.297088  115.5776 52.13982 96.84622 48.02627 18.73140       70.88783 
1 1 1 -34 14 1  f 255.0369 23.50923 16.07744       2.788650  15.84721       6.360476  16.13223       3.102764  226.1593 59.12301 253.9242 26.36031 -27.76498      64.73327 
1 1 1 -34 14 2  o 173.6294 32.86278 7.900431       2.585794  -0.4241608     4.916688  11.08333       3.040205  105.3984 47.39425 206.6871 32.32872 -101.2887      57.37039 
1 1 1 -34 14 3  o 96.24609 36.77745 1.945105       2.320204  2.850995       5.061758  1.704137       2.610618  124.1221 51.87380 96.50311 38.38771 27.61895       64.53300 
1 1 1 -34 14 4  o 157.8849 36.83898 6.764516       2.685992  6.593926       5.449304  6.819263       3.087054  150.5317 56.63292 156.1904 41.36221 -5.658768      70.12931 
1 1 1 -34 14 5  o 112.6687 40.18747 3.226886       2.688268  2.291364       5.049567  3.596909       3.175715  119.5646 50.97541 118.7037 43.49562 0.8608704      67.01016 
1 1 1 -34 14 6  o 384.8732 21.05907 36.39472       3.798187  26.16488       5.785382  44.14388       5.035292  308.6508 40.85076 419.7465 25.62438 -111.0957      48.22233 
1 1 1 -34 14 7  o 84.30530 35.81499 0.6425807      2.476543  -2.531372      3.919691  2.751487       3.195069  83.72532 39.28880 109.6674 42.82082 -25.94207      58.11396 
1 1 1 -34 14 8  o 118.0481 39.34774 3.818146       2.560215  -0.3512665E-01 3.775413  7.098692       3.483555  93.96717 41.94398 154.8095 45.08999 -60.84234      61.58250 
1 1 1 -34 14 9  o 63.96568 30.04058 -1.838220      2.299399  -2.745477      3.043197  -0.6310940     3.510273  70.91051 33.67708 87.28352 39.57209 -16.37300      51.96245 
1 1 1 -34 14 10 o 227.5969 24.70622 13.19288       2.602620  11.33231       3.244343  16.55173       4.359119  203.1476 35.22738 241.8895 39.68681 -38.74187      53.06610 
1 1 1 -34 14 11 o 79.32318 35.61146 -0.3064940     2.763453  -0.3064940     2.763453  0.000000       0.000000  79.32318 35.61146 ?        ?        0.000000       35.61146 
1 1 1 -34 14 12 o 110.9387 35.23654 3.472007       2.066614  5.125817       2.462391  -0.4684899     3.800928  132.3997 37.71451 89.02917 40.67667 43.37050       55.47049 
1 1 1 -34 14 13 o 228.1134 23.41869 13.36679       2.477289  11.67856       2.810765  19.24198       5.243491  208.1320 29.53764 246.4728 46.93967 -38.34079      55.45994 
1 1 1 -34 14 14 o 132.1956 36.66296 5.225725       2.359599  4.090716       2.624354  10.01486       5.390780  115.8649 39.82821 157.4662 56.82563 -41.60123      69.39336 
1 1 1 -34 14 15 o 163.3311 41.74560 8.564318       3.219497  7.086016       4.021209  11.20393       5.373347  138.7311 49.18642 162.8087 56.93177 -24.07762      75.23650 
1 1 1 -34 14 16 o 102.7136 44.42506 2.848754       3.940273  0.6361475      5.594479  5.026754       5.550557  98.89242 46.57280 117.0116 51.61588 -18.11916      69.52140 
1 1 1 -34 14 17 o 109.7683 42.09216 4.166302       3.045931  3.980381       4.018810  4.417267       4.669173  107.4145 45.62784 110.1421 47.99566 -2.727547      66.22298 
1 1 1 -34 14 18 o 121.5803 45.69474 6.029222       3.545868  4.539239       4.867187  7.714474       5.176304  106.9266 47.68397 123.4782 52.08033 -16.55161      70.61248 
1 1 1 -34 14 19 o 95.47784 42.09683 3.141780       3.687720  2.859394       5.277007  3.411319       5.155562  95.93898 45.19707 97.86724 45.64191 -1.928261      64.23363 
1 1 1 -34 14 20 o 214.3177 52.18102 21.01695       5.211416  28.77230       6.663183  8.799049       8.363335  229.1404 60.80914 104.1267 50.96220 125.0137       79.34039 
1 1 1 -34 16 1  o 108.8582 36.25698 3.045065       2.173954  -0.9684899     5.525365  3.780171       2.364674  107.8761 49.19268 119.1780 37.67484 -11.30199      61.96220 
1 1 1 -34 16 2  o 100.2325 35.59741 2.430269       2.107074  5.309345       4.742894  1.722310       2.351912  139.5397 52.75866 93.93996 36.72254 45.59976       64.28080 
1 1 1 -34 16 3  o 181.0340 33.44154 8.668742       2.742935  1.718251       4.741786  12.16409       3.362633  114.2589 49.07224 214.4567 34.50278 -100.1977      59.98772 
1 1 1 -34 16 4  o 279.9664 23.92244 19.53063       3.120263  14.46248       5.140080  22.48811       3.926504  220.1295 50.68659 297.2148 28.43136 -77.08533      58.11602 
1 1 1 -34 16 5  o 244.0249 27.24928 15.15481       3.074530  10.57667       5.134443  17.71403       3.838868  182.3618 55.15586 260.4459 32.00770 -78.08409      63.77039 
1 1 1 -34 16 6  o 306.9969 21.48883 23.30496       3.083677  24.07650       4.606274  22.67836       4.151112  302.5186 32.89932 295.9321 30.24472 6.586487       44.68902 
1 1 1 -34 16 7  o 98.70042 37.41845 2.256727       2.389853  1.447054       3.620888  2.881689       3.181170  101.6603 43.24969 110.0079 42.79009 -8.347626      60.84018 
1 1 1 -34 16 8  o 100.1960 38.50242 2.334997       2.551897  7.670078       3.900614  -1.657253      3.374204  157.3804 48.17556 80.23825 37.25417 77.14211       60.89957 
1 1 1 -34 16 9  o 286.8944 22.87307 20.69694       3.061199  22.72143       4.100476  18.14804       4.601007  293.9959 30.07326 252.8201 40.02016 41.17581       50.06010 
1 1 1 -34 16 10 o 156.9471 36.83687 7.022698       2.672928  6.994130       3.237806  7.083829       4.736312  151.6330 43.26559 145.3011 53.13706 6.331909       68.52341 
1 1 1 -34 16 11 o 139.9525 43.00483 6.047223       3.104845  6.047223       3.104845  0.000000       0.000000  139.9525 43.00483 ?        ?        0.000000       43.00483 
1 1 1 -34 16 12 o 113.1201 37.47554 3.732083       2.323672  0.2725269      2.665073  14.69976       4.745219  80.76647 35.68963 212.1699 48.59031 -131.4034      60.28904 
1 1 1 -34 16 13 o 106.3834 37.54633 3.289931       2.340592  3.640003       2.647428  2.036861       5.008787  110.5312 39.83252 106.7949 47.94417 3.736305       62.33196 
1 1 1 -34 16 14 o 157.8413 33.76166 7.252886       2.430911  9.593367       2.759073  -0.8677170     5.139311  182.6002 33.35020 93.58520 44.24419 89.01498       55.40564 
1 1 1 -34 16 15 o 74.09901 34.69786 -1.103470      3.029614  -4.290821      3.566108  7.164091       5.743389  67.72047 33.17246 128.1500 54.49363 -60.42952      63.79630 
1 1 1 -34 16 16 o 196.8437 54.97282 16.18963       5.285645  7.841856       6.793720  28.99227       8.413412  124.0015 55.73991 225.0305 71.05661 -101.0290      90.31046 
1 1 1 -34 16 17 o 138.4533 44.85368 7.399868       3.336069  6.668886       3.844460  9.628419       6.712638  125.5602 47.49319 126.1355 56.14299 -0.5753098     73.53665 
1 1 1 -34 16 18 o 103.8128 42.71508 4.212577       3.358341  6.315416       4.013248  -0.7000595     6.134091  116.9849 47.22894 88.49143 43.38036 28.49344       64.12822 
1 1 1 -34 18 1  o 103.2432 38.27041 2.516151       2.470431  6.203925       6.395497  1.869398       2.678314  147.9883 59.66457 98.11730 38.92877 49.87104       71.24121 
1 1 1 -34 18 2  o 66.24578 30.69722 -1.466082      2.274558  5.154640       4.721226  -3.467269      2.595650  136.6547 52.40394 61.63743 29.74805 75.01728       60.25877 
1 1 1 -34 18 3  o 152.7485 53.74719 7.185906       4.792751  7.185906       4.792751  0.000000       0.000000  152.7485 53.74719 ?        ?        0.000000       53.74719 
1 1 1 -34 18 4  o 89.35861 37.02697 1.143131       2.547659  0.6356360      4.524658  1.378716       3.082783  104.8136 46.39992 96.81405 40.47371 7.999512       61.57169 
1 1 1 -34 18 5  o 246.7651 28.22241 15.68687       3.217105  10.88373       4.912933  19.29251       4.256660  184.2821 53.51113 268.4603 34.50571 -84.17813      63.67170 
1 1 1 -34 18 6  o 151.7532 35.51482 6.377969       2.490319  4.093925       3.490643  8.745542       3.553896  122.0206 45.43975 172.0834 43.79372 -50.06274      63.10832 
1 1 1 -34 18 7  f 111.2816 38.38347 3.377527       2.438421  1.283959       3.399004  5.597504       3.500115  97.56988 41.71582 136.2382 46.00677 -38.66834      62.10340 
1 1 1 -34 18 8  o 83.50771 36.15652 0.5200150      2.615569  -3.731106      3.394755  6.730084       4.103033  71.00436 34.20789 144.7712 49.79827 -73.76684      60.41562 
1 1 1 -34 18 9  f 79.26022 34.74057 0.2439678      2.478237  -0.8767893     3.218688  1.875743       3.883769  81.11063 37.19708 103.6524 44.46103 -22.54172      57.96901 
1 1 1 -34 18 10 o 136.1568 47.19884 6.016150       3.689309  6.016150       3.689309  0.000000       0.000000  136.1568 47.19884 ?        ?        0.000000       47.19884 
1 1 1 -34 18 11 o 117.4938 40.08821 4.161800       2.657762  4.856777       3.195823  2.603151       4.785991  124.1355 43.86628 110.0509 48.25630 14.08453       65.21442 
1 1 1 -34 18 12 o 72.54210 33.07170 -0.5143860     2.495330  0.4643383      2.865880  -3.582046      5.073777  83.16022 36.86539 85.57495 41.37320 -2.414726      55.41479 
1 1 1 -34 18 13 o 180.6507 32.07442 9.295148       2.625798  9.169122       2.973561  9.741380       5.595356  173.8994 37.45693 148.7194 57.04482 25.17998       68.24319 
1 1 1 -34 18 14 o 99.70248 37.71918 2.958292       2.425192  1.950573       2.683188  7.455411       5.668245  90.76759 37.83678 129.4807 54.54943 -38.71315      66.38721 
1 1 1 -34 18 15 o 83.45280 39.54005 -0.8382943     4.147172  -3.397741      5.715439  2.007729       6.026925  85.50351 41.90722 102.0278 48.13708 -16.52428      63.82314 
1 1 1 -34 18 16 o 136.8027 51.74115 8.825342       4.562687  10.29429       6.575583  7.461356       6.336297  129.7633 56.74000 118.2776 53.43609 11.48569       77.94128 
1 1 1 -34 20 1  o 276.4538 28.30212 19.62577       3.628647  27.60405       7.355052  17.05916       4.171681  298.3874 54.40515 250.9972 36.39388 47.39021       65.45559 
1 1 1 -34 20 2  o 140.9161 36.47895 5.524460       2.436959  -1.772592      6.260302  6.827681       2.645639  107.1306 50.07350 156.9449 36.52156 -49.81433      61.97725 
1 1 1 -34 20 3  o 192.7931 34.13794 10.05721       2.982669  4.205023       4.522272  14.56302       3.968111  126.1183 50.40903 229.3014 38.12697 -103.1831      63.20392 
1 1 1 -34 20 4  o 107.4903 40.17473 2.939250       2.733478  -4.723544      6.558594  4.550121       3.007099  99.18250 47.72578 125.8181 42.64289 -26.63564      64.00130 
1 1 1 -34 20 5  o 127.9267 40.43227 4.739813       2.723589  5.163415       3.916317  4.343044       3.790248  131.2763 48.27164 123.8090 47.07844 7.467232       67.42797 
1 1 1 -34 20 6  o 201.0023 31.65365 10.87383       2.893920  5.537345       3.584768  20.85910       4.903578  134.2288 46.52561 270.5834 39.70616 -136.3547      61.16544 
1 1 1 -34 20 7  o 88.18338 37.65820 0.9801882      2.764044  0.4499883      3.480101  1.886148       4.549109  91.47788 40.58501 107.8584 47.17706 -16.38055      62.23197 
1 1 1 -34 20 8  o 276.9121 25.23577 19.80778       3.251120  16.70486       3.919068  26.65577       5.822097  244.4858 35.08220 299.0007 42.59851 -54.51491      55.18509 
1 1 1 -34 20 9  o 214.8226 47.74401 14.91719       4.699528  14.91719       4.699528  0.000000       0.000000  214.8226 47.74401 ?        ?        0.000000       47.74401 
1 1 1 -34 20 10 o 197.2929 39.74471 11.73354       3.561074  11.73354       3.561074  0.000000       0.000000  197.2929 39.74471 ?        ?        0.000000       39.74471 
1 1 1 -34 20 11 o 83.54636 36.47757 0.8001163      2.708853  1.167047       3.131049  -0.2919144     5.401513  89.74271 39.19924 97.69361 45.93234 -7.950905      60.38510 
1 1 1 -34 20 12 o 77.91486 34.73381 0.3115971      2.580018  -1.140413      3.002615  4.408442       5.043589  74.05408 34.63418 115.1871 50.04025 -41.13300      60.85683 
1 1 1 -34 22 1  o 113.3405 39.28198 3.539147       2.555401  3.356124       6.259757  3.575747       2.799272  125.7654 55.16658 114.2271 40.98054 11.53826       68.72232 
1 1 1 -34 22 2  o 127.2531 44.20082 4.776780       3.236291  0.3724732      6.265533  6.379403       3.779506  112.4363 51.68625 142.8408 47.80983 -30.40444      70.40773 
1 1 1 -34 22 3  o 125.1665 44.20970 4.629927       3.245688  -1.555095      4.297201  12.84483       4.952406  89.66161 41.76633 197.4456 52.43745 -107.7840      67.03815 
1 1 1 -34 22 4  o 116.9429 40.98746 3.929307       2.785842  4.400711       4.517564  3.640038       3.538824  123.9845 50.08973 115.4864 45.07309 8.498085       67.38371 
1 1 1 -34 22 5  o 197.7174 34.42154 10.88167       3.085125  8.975864       3.657079  15.58561       5.745470  169.3563 45.10073 209.5345 56.84659 -40.17819      72.56452 
1 1 1 -34 22 6  o 76.71396 35.09344 -0.7361032     2.840517  -1.534700      3.436774  0.9854341      5.045980  79.57901 37.16386 104.6816 47.45383 -25.10255      60.27453 
1 1 1 -34 22 7  o 76.28233 35.03672 -0.8014109     2.870758  -0.4787851     3.544007  -1.417063      4.895677  85.33649 39.09696 92.77505 43.65413 -7.438553      58.60252 
1 1 1 -33 1  1  o 232.0608 37.47308 13.80028       3.951253  14.15814       5.707549  13.47093       5.475504  225.7171 54.39511 220.6627 53.34033 5.054428       76.18411 
1 1 1 -33 1  2  o 104.6241 43.54279 1.176537       3.545362  0.3758628      5.031392  1.966171       4.996586  114.6821 49.90048 123.6983 51.60422 -9.016228      71.78477 
1 1 1 -33 1  3  o 87.51807 39.45841 -1.191203      3.434471  0.7362349      4.812871  -3.191117      4.902522  114.3525 49.27909 96.27100 44.76693 18.08150       66.57707 
1 1 1 -33 1  4  o 242.0388 32.94893 14.81110       3.653927  15.55483       5.201581  14.08659       5.133949  239.5537 47.83448 226.6084 49.54377 12.94527       68.86743 
1 1 1 -33 1  5  o 323.7394 23.42371 25.55044       3.543052  28.86271       5.320085  22.91049       4.749573  337.9006 33.92858 300.5798 34.20011 37.32086       48.17464 
1 1 1 -33 1  6  o 175.1905 32.09941 7.870907       2.547826  11.00646       4.039693  5.799802       3.283161  201.6879 43.83143 146.6444 44.04984 55.04352       62.14163 
1 1 1 -33 1  7  o 204.9426 25.36044 10.43006       2.392691  9.945605       3.446759  10.88065       3.324124  193.3702 39.23359 204.3096 35.89750 -10.93939      53.17805 
1 1 1 -33 1  8  o 235.3819 23.23512 13.64367       2.539115  15.93319       3.525846  11.17717       3.659590  250.6602 30.53346 204.4661 39.47846 46.19415       49.90833 
1 1 1 -33 1  9  o 217.9956 22.81264 11.73263       2.304688  8.547799       3.310184  14.72896       3.210731  176.8739 40.63877 241.2800 28.86154 -64.40611      49.84475 
1 1 1 -33 1  10 o 137.2521 31.21949 4.953229       1.970168  5.716410       2.836636  4.241974       2.738435  143.8799 40.30372 125.4757 40.63675 18.40412       57.23404 
1 1 1 -33 1  11 o 310.7614 18.42933 23.49041       2.682025  22.55504       3.724722  24.49762       3.865083  299.1143 26.75453 311.9247 26.59551 -12.81036      37.72434 
1 1 1 -33 1  12 o 309.5517 18.49940 23.37814       2.681440  27.06131       3.888354  20.03827       3.702711  328.0477 25.39549 279.6770 28.54462 48.37070       38.20636 
1 1 1 -33 1  13 o 125.7151 34.32161 4.337059       2.086635  1.579787       2.851712  7.514564       3.061321  95.84612 39.39043 162.2161 40.29857 -66.37001      56.35229 
1 1 1 -33 1  14 o 252.4284 33.86741 17.18293       3.920093  0.000000       0.000000  17.18293       3.920093  ?        ?        252.4284 33.86741 0.000000       33.86741 
1 1 1 -33 1  15 o 90.36736 36.49321 1.578648       2.396822  4.333857       3.341932  -1.339629      3.439407  122.2897 44.64821 81.76859 37.83997 40.52112       58.52629 
1 1 1 -33 1  16 o 270.8554 53.41914 24.19056       6.564351  24.14388       8.948184  24.24495       9.659337  231.5971 73.29608 222.3878 76.41252 9.209259       105.8829 
1 1 1 -33 1  17 o 133.7003 40.41116 5.444472       2.756883  4.685839       3.630960  6.477150       4.236312  122.8805 46.22874 137.9223 50.28209 -15.04178      68.30363 
1 1 1 -33 1  18 o 87.06347 36.53393 1.343823       2.526193  2.535755       3.421162  -0.8524409E-01 3.746057  102.6452 42.75080 88.50365 40.41534 14.14153       58.83052 
1 1 1 -33 1  19 o 297.6837 20.96804 22.61950       2.917416  19.91657       3.866125  26.19421       4.446105  266.8290 31.40260 306.3720 31.28955 -39.54300      44.33012 
1 1 1 -33 1  20 o 274.5815 21.66813 19.54765       2.775994  19.52357       3.961648  19.57087       3.891001  259.1237 33.26964 260.6190 32.44058 -1.495300      46.46784 
1 1 1 -33 1  21 o 207.3434 45.29955 15.13804       4.294714  17.16409       6.185405  13.25208       5.967727  184.3882 61.14542 158.1510 59.31133 26.23715       85.18565 
1 1 1 -33 1  22 o 265.1859 39.45065 23.44977       4.771336  19.61950       6.471608  28.01130       7.062412  185.9952 62.55978 236.8577 62.48392 -50.86249      88.41927 
1 1 1 -33 1  23 o 87.74516 41.40440 1.481553       4.461836  -4.078478      6.299748  7.077884       6.320280  80.49985 40.22673 107.9986 50.42323 -27.49875      64.50343 
1 1 1 -33 1  24 o 108.3065 48.79889 7.879338       5.242836  4.848395       7.229033  11.24257       7.614996  94.19051 46.35641 107.8654 51.78248 -13.67488      69.50066 
1 1 1 -33 3  1  o 314.3029 28.21786 24.32906       4.127527  23.70194       6.072284  24.86766       5.627471  300.8093 44.23421 311.4805 39.28074 -10.67123      59.15777 
1 1 1 -33 3  2  o 384.1273 25.38225 35.99750       4.560575  37.68711       6.845255  34.64893       6.115515  384.4899 38.35938 370.5816 35.51669 13.90826       52.27693 
1 1 1 -33 3  3  o 104.3013 43.03270 1.353770       3.419941  4.021114       5.080857  -0.8558064     4.624363  137.5336 53.91657 103.6230 46.32534 33.91058       71.08469 
1 1 1 -33 3  4  o 190.8915 37.39507 9.494195       3.237803  6.373359       4.886715  11.93637       4.322847  154.8502 54.28453 210.5013 45.01905 -55.65111      70.52322 
1 1 1 -33 3  5  o 491.7410 17.93556 57.95576       4.148782  71.52373       7.114777  50.96524       5.106919  538.3047 28.19532 457.3276 23.82138 80.97705       36.91117 
1 1 1 -33 3  6  o 128.2423 39.78047 4.310120       2.649603  7.398721       4.480173  2.648768       3.285826  162.4943 51.90996 113.1300 43.63147 49.36435       67.81113 
1 1 1 -33 3  7  o 387.4247 17.29389 36.01263       3.151733  35.73993       4.632263  36.24767       4.300635  380.4732 26.03866 384.6113 23.88877 -4.138092      35.33674 
1 1 1 -33 3  8  o 327.1261 18.34394 25.85578       2.811393  27.33211       3.981453  24.38764       3.970390  332.2175 25.67640 312.7208 27.26295 19.49670       37.45058 
1 1 1 -33 3  9  o 78.95766 32.62570 0.6986964      1.970036  1.310743       3.075769  0.2729489      2.565295  98.15062 40.67821 83.64021 36.01084 14.51041       54.32768 
1 1 1 -33 3  10 o 140.0981 32.83143 5.211520       2.125901  7.815102       3.107161  2.920036       2.914987  168.4361 39.83994 111.0058 41.48744 57.43029       57.51894 
1 1 1 -33 3  11 o 87.73148 33.82590 1.544656       1.974440  2.056856       2.818570  1.051130       2.766713  101.1127 39.99265 91.61691 38.32548 9.495827       55.39182 
1 1 1 -33 3  12 o 213.5878 23.71064 11.44955       2.342057  13.53713       3.277799  9.272050       3.347644  227.3241 31.49908 181.6996 40.22880 45.62453       51.09353 
1 1 1 -33 3  13 o 156.5246 31.31409 6.545264       2.225127  7.185473       2.931296  5.674753       3.418110  159.0337 39.38873 138.5543 45.43050 20.47943       60.12822 
1 1 1 -33 3  14 o 540.7629 23.68851 73.36248       6.025788  0.000000       0.000000  73.36248       6.025788  ?        ?        540.7629 23.68851 0.000000       23.68851 
1 1 1 -33 3  15 o 205.4911 34.34954 11.60004       3.203141  11.66504       3.351160  10.91261       10.89807  204.5432 36.15126 157.7827 70.78533 46.76048       79.48256 
1 1 1 -33 3  16 o 208.9325 37.01504 12.38846       3.504757  7.065993       6.377704  14.69115       4.194942  141.1896 58.55056 223.1698 41.48666 -81.98015      71.75870 
1 1 1 -33 3  17 o 89.30438 38.92245 0.8812305      3.071939  1.857610       5.205440  0.3594856      3.805197  109.0707 48.92730 92.49309 41.63304 16.57761       64.24322 
1 1 1 -33 3  18 o 276.4337 23.53658 19.74111       3.031440  21.63996       3.678546  15.72236       5.351514  284.5669 27.83685 208.6202 54.08301 75.94672       60.82649 
1 1 1 -33 3  19 o 184.0675 37.55476 10.22141       3.141581  11.19798       4.479844  9.276437       4.406790  173.8750 51.27352 155.9517 51.60584 17.92322       72.74707 
1 1 1 -33 3  20 o 174.7566 39.78046 9.756680       3.196782  14.78003       5.356170  6.977145       3.984226  187.7713 56.23165 134.1397 48.78442 53.63162       74.44405 
1 1 1 -33 3  21 o 149.3821 48.94762 9.018485       3.968090  13.86445       5.678387  4.393579       5.547360  166.2805 58.50333 109.2820 49.62317 56.99857       76.71439 
1 1 1 -33 3  22 o 76.55494 36.89693 -1.634789      3.959358  -1.610286      5.390492  -1.663496      5.834595  84.83533 41.38964 86.61711 42.42937 -1.781776      59.27356 
1 1 1 -33 3  23 o 79.06712 38.14420 -0.6496108     4.256647  6.524971       5.863367  -8.644471      6.189480  106.5728 49.34948 72.71632 36.77153 33.85647       61.54280 
1 1 1 -33 3  24 o 121.8690 55.72431 15.10404       7.150750  15.10404       7.150750  0.000000       0.000000  121.8690 55.72431 ?        ?        0.000000       55.72431 
1 1 1 -33 5  1  o 424.2068 26.38189 44.01915       5.238373  44.64220       6.937313  43.19263       7.990096  420.8757 35.36824 408.3073 42.20949 12.56839       55.06862 
1 1 1 -33 5  2  o 213.9389 43.15377 12.16533       4.193042  8.006068       5.642473  17.29489       6.266160  170.1187 58.40464 247.9920 55.14198 -77.87328      80.32273 
1 1 1 -33 5  3  o 302.7541 26.84109 22.58234       3.782972  21.64998       6.043114  23.18315       4.851050  283.9728 46.87484 302.3065 34.74453 -18.33368      58.34752 
1 1 1 -33 5  4  o 153.1425 40.59345 6.262728       2.971552  13.31720       5.304907  3.037166       3.587141  217.3628 52.47823 119.3579 45.70041 98.00497       69.58802 
1 1 1 -33 5  5  o 162.8894 38.55740 7.049554       2.908549  6.197959       5.130558  7.452858       3.530727  152.6443 55.38303 165.1737 44.45910 -12.52942      71.02037 
1 1 1 -33 5  6  o 61.58951 29.60022 -3.318794      2.503723  -6.672141      4.592906  -1.900970      2.986479  79.56524 38.68088 76.37432 35.31439 3.190918       52.37668 
1 1 1 -33 5  7  o 433.3862 17.37261 45.11025       3.541682  40.70925       4.790380  50.41618       5.259864  406.4268 25.18037 452.7476 24.79148 -46.32080      35.33650 
1 1 1 -33 5  8  o 473.4436 15.68340 53.69579       3.492832  46.81672       4.577037  63.28776       5.404720  437.5234 22.31307 509.0641 22.56999 -71.54068      31.73764 
1 1 1 -33 5  9  o 199.4775 25.06590 9.963175       2.300113  14.29423       3.628650  7.054103       2.973893  234.0938 33.94226 160.3869 39.64378 73.70695       52.18914 
1 1 1 -33 5  10 o 87.96967 34.43673 1.454728       2.070435  1.300900       3.084618  1.580856       2.793112  97.38516 40.57967 96.83295 39.29280 0.5522079      56.48570 
1 1 1 -33 5  11 o 126.8210 34.02303 4.345692       2.071771  5.488374       2.734385  2.805589       3.174475  140.1061 39.68503 110.5011 42.81075 29.60504       58.37518 
1 1 1 -33 5  12 o 367.6841 27.38211 34.39358       4.702053  0.000000       0.000000  34.39358       4.702053  ?        ?        367.6841 27.38211 0.000000       27.38211 
1 1 1 -33 5  13 o 260.7529 22.36609 16.98380       2.716842  16.10347       3.708654  18.00341       3.991285  245.8927 32.88666 259.6234 33.46005 -13.73067      46.91595 
1 1 1 -33 5  14 o 154.4812 32.79005 6.507750       2.309084  4.179973       2.924042  10.36443       3.763742  121.2124 42.01941 187.0031 43.59082 -65.79072      60.54578 
1 1 1 -33 5  15 o 249.9514 31.15477 16.68961       3.583585  18.14482       3.718708  -2.250000      13.41576  260.9624 30.89277 130.7406 64.10434 130.2218       71.15989 
1 1 1 -33 5  16 o 161.1645 34.27475 7.291888       2.518492  7.226008       3.227176  7.394510       4.027789  153.1948 43.01546 149.2416 49.33448 3.953171       65.45396 
1 1 1 -33 5  17 o 207.1701 34.44457 12.08447       3.238872  14.11712       4.918716  10.52842       4.303582  203.8278 51.33015 176.2420 49.73977 27.58578       71.47607 
1 1 1 -33 5  18 o 107.2513 38.73256 3.370698       2.505132  6.260198       3.118270  -1.888578      4.206931  138.8360 43.17015 84.21851 39.87986 54.61749       58.77129 
1 1 1 -33 5  19 o 104.9899 38.35662 3.308121       2.467005  4.159495       3.038794  1.662220       4.225158  113.7731 42.39126 98.71020 44.19395 15.06295       61.23826 
1 1 1 -33 5  20 o 74.87782 34.68723 -0.5993725     2.901234  -5.083235      4.303306  3.136923       3.928228  72.30800 35.62143 103.6716 44.59877 -31.36360      57.07833 
1 1 1 -33 5  21 o 114.5252 43.59642 4.871594       3.252579  9.230084       5.646017  2.706643       3.979223  132.7967 55.08146 98.19332 43.48915 34.60339       70.18028 
1 1 1 -33 5  22 o 120.3372 48.16575 6.710645       4.135080  11.07610       5.544518  1.239299       6.207206  137.6587 55.53466 94.34992 45.65220 43.30875       71.89034 
1 1 1 -33 5  23 o 85.11626 40.49942 1.069233       4.440902  -1.374554      5.787295  4.568966       6.925663  82.86473 40.91359 98.23502 47.69748 -15.37029      62.84084 
1 1 1 -33 5  24 o 98.49767 48.04245 7.740786       7.248968  7.740786       7.248968  0.000000       0.000000  98.49767 48.04245 ?        ?        0.000000       48.04245 
1 1 1 -33 5  25 o 83.72755 41.78287 3.308562       6.695102  3.308562       6.695102  0.000000       0.000000  83.72755 41.78287 ?        ?        0.000000       41.78287 
1 1 1 -33 7  1  o 233.6353 35.37735 13.97468       3.766389  19.21403       5.952029  10.47561       4.864106  265.3859 49.49882 193.1708 52.26233 72.21509       71.98253 
1 1 1 -33 7  2  o 351.0099 25.29257 30.18505       4.148218  37.57433       6.790658  25.78612       5.239435  382.4388 38.26017 318.1262 35.62334 64.31265       52.27679 
1 1 1 -33 7  3  o 135.3159 43.48181 4.810977       3.139955  0.3646083      5.801345  6.653205       3.734200  119.9243 52.84166 156.0599 47.00087 -36.13554      70.72002 
1 1 1 -33 7  4  o 136.4817 41.35435 4.952462       2.884454  0.7680516      5.322586  6.692337       3.432136  117.5294 51.22858 156.6033 44.49699 -39.07394      67.85535 
1 1 1 -33 7  5  o 455.7722 21.50510 50.34503       4.610613  24.71760       10.88584  55.94725       5.089671  264.0244 80.41338 479.7552 22.55281 -215.7308      83.51611 
1 1 1 -33 7  6  o 123.1752 42.06988 3.895458       2.927047  3.014269       6.331676  4.134959       3.300942  135.1371 57.33136 127.0946 44.61214 8.042450       72.64384 
1 1 1 -33 7  7  o 310.1888 21.50596 23.50567       3.118634  25.64934       5.267015  22.34840       3.869946  313.7393 36.36248 298.7006 27.86392 15.03867       45.81079 
1 1 1 -33 7  8  o 384.3890 24.69001 36.55698       4.440766  36.55698       4.440766  0.000000       0.000000  384.3890 24.69001 ?        ?        0.000000       24.69001 
1 1 1 -33 7  9  o 236.8702 24.98376 14.02284       2.741802  20.15354       4.156783  9.301428       3.647861  279.3004 32.23016 181.9230 43.25935 97.37749       53.94585 
1 1 1 -33 7  10 o 315.2762 20.27265 24.34382       2.990628  30.11314       4.708674  20.44293       3.871845  343.5299 29.42224 282.5870 29.56473 60.94290       41.71021 
1 1 1 -33 7  11 o 302.9437 20.31322 22.54774       2.877983  23.10954       3.823465  21.81332       4.371538  301.6960 27.23491 288.4103 32.80586 13.28571       42.63760 
1 1 1 -33 7  12 o 161.0331 30.15758 6.842437       2.200492  11.71124       3.109119  1.955754       3.114822  210.0845 32.51117 101.5452 41.38410 108.5394       52.62717 
1 1 1 -33 7  13 o 178.3880 28.52328 8.316433       2.312869  7.867583       3.027446  8.945630       3.584426  166.2534 39.32682 173.9927 43.81930 -7.739304      58.87894 
1 1 1 -33 7  14 o 208.9025 32.66319 11.75811       3.104639  12.70534       3.195450  -4.200357      13.11595  217.6591 32.17956 129.2044 63.35776 88.45470       71.06145 
1 1 1 -33 7  15 o 161.0885 32.27318 7.102732       2.360318  8.169149       2.764966  4.238070       4.531718  170.5427 35.61510 123.1822 50.02694 47.36050       61.40953 
1 1 1 -33 7  16 o 100.6216 36.29360 2.709128       2.198588  2.550096       2.654998  3.056147       3.921923  100.8440 39.12867 111.1122 45.98252 -10.26818      60.37752 
1 1 1 -33 7  17 o 100.0439 40.18649 2.458859       2.889766  -0.3127230     3.845464  6.054531       4.380008  88.82887 40.70760 132.7091 50.57373 -43.88026      64.92158 
1 1 1 -33 7  18 o 322.7865 20.40667 26.38034       3.082588  30.45073       3.809891  18.66463       5.245446  342.5829 23.78912 235.3915 48.96704 107.1915       54.43981 
1 1 1 -33 7  19 o 271.7849 29.33857 20.43228       3.691391  27.35137       5.470027  14.64627       5.002126  296.6661 40.23504 196.6501 52.91277 100.0160       66.47270 
1 1 1 -33 7  20 o 138.4102 44.61146 6.954257       3.303322  1.639715       4.840508  11.58673       4.519228  97.96193 45.17764 169.3768 51.85645 -71.41486      68.77579 
1 1 1 -33 7  21 o 162.2618 46.09036 10.01373       3.682931  8.573128       5.822876  10.97433       4.754833  126.1303 54.27961 153.1050 53.55407 -26.97477      76.25165 
1 1 1 -33 7  22 o 120.4659 48.97955 7.171653       4.350142  8.587991       6.039935  5.645066       6.270606  118.1138 52.86325 106.0608 49.74540 12.05298       72.58876 
1 1 1 -33 7  23 o 92.42281 45.19438 2.787158       6.534534  2.787158       6.534534  0.000000       0.000000  92.42281 45.19438 ?        ?        0.000000       45.19438 
1 1 1 -33 7  24 o 102.1879 49.23703 9.881095       7.038125  9.881095       7.038125  0.000000       0.000000  102.1879 49.23703 ?        ?        0.000000       49.23703 
1 1 1 -33 7  25 o 84.33151 42.07664 4.577884       6.776782  4.577884       6.776782  0.000000       0.000000  84.33151 42.07664 ?        ?        0.000000       42.07664 
1 1 1 -33 9  1  f 203.9320 39.64803 10.98463       3.666458  12.85825       6.028283  9.884637       4.619006  208.7746 58.85048 187.2582 51.03992 21.51633       77.90028 
1 1 1 -33 9  2  o 330.7184 23.18942 26.70316       3.584775  28.10220       6.333627  26.04374       4.348283  326.1797 42.27299 323.3694 28.88994 2.810394       51.20190 
1 1 1 -33 9  3  o 478.5334 18.85066 55.09595       4.243342  44.61656       7.252057  60.55160       5.232589  415.8543 37.47498 499.4531 22.27166 -83.59875      43.59359 
1 1 1 -33 9  4  o 171.5813 37.03349 7.795837       2.901416  10.24618       5.657717  6.921476       3.379660  185.2328 58.24046 158.7280 43.82314 26.50481       72.88634 
1 1 1 -33 9  5  o 606.1310 19.36439 88.69916       5.521279  0.000000       0.000000  88.69916       5.521279  ?        ?        606.1310 19.36439 0.000000       19.36439 
1 1 1 -33 9  6  o 297.8493 20.93183 21.64017       2.914108  25.46158       4.926786  19.58383       3.614093  314.5608 33.82747 279.4556 27.86422 35.10519       43.82593 
1 1 1 -33 9  7  f 97.72768 36.96978 2.042446       2.329689  -1.796043      4.165082  3.790131       2.810445  91.43397 42.07217 120.6785 41.22338 -29.24450      58.90191 
1 1 1 -33 9  8  o 238.2504 25.86716 14.23124       2.852450  13.91239       4.471261  14.45006       3.704113  223.2538 44.13994 234.6637 34.59359 -11.40994      56.08075 
1 1 1 -33 9  9  o 239.5063 23.62374 14.27584       2.626882  12.47346       3.919127  15.74614       3.539722  212.9204 40.61142 246.8571 31.17805 -33.93668      51.19920 
1 1 1 -33 9  10 o 226.9393 27.52692 13.12706       2.878439  17.13587       4.451625  10.24673       3.773390  250.7235 39.01306 189.7743 43.23439 60.94928       58.23428 
1 1 1 -33 9  11 o 229.4861 24.59274 13.26269       2.613449  9.592457       3.634801  17.19085       3.760346  182.7490 42.99952 256.1501 31.89897 -73.40111      53.53973 
1 1 1 -33 9  12 o 273.2329 19.05987 18.32305       2.434407  17.93494       3.045335  19.01011       4.051849  266.7159 24.54816 267.8753 32.84321 -1.159393      41.00352 
1 1 1 -33 9  13 o 69.30387 31.23008 -0.5765100     2.148166  0.1946175E-01  2.694349  -1.616317      3.558913  81.40603 35.93307 82.57188 38.31034 -1.165848      52.52492 
1 1 1 -33 9  14 o 353.5732 22.31579 31.32741       3.692555  32.13368       3.864650  22.87456       12.51332  357.3136 23.11663 197.9422 82.04354 159.3714       85.23802 
1 1 1 -33 9  15 o 191.2239 81.77287 23.88526       13.06522  0.000000       0.000000  23.88526       13.06522  ?        ?        191.2239 81.77287 0.000000       81.77287 
1 1 1 -33 9  16 o 107.6874 36.85685 3.283786       2.246634  4.578692       2.626638  -0.2455563     4.336388  123.6105 39.77423 94.04174 43.14488 29.56876       58.68108 
1 1 1 -33 9  17 o 148.1814 42.27995 6.958980       3.091994  3.329370       4.061777  11.96079       4.768150  111.0326 46.44131 182.3583 52.64888 -71.32568      70.20470 
1 1 1 -33 9  18 o 223.6934 26.51078 13.39579       2.735337  14.25042       3.248593  11.31380       5.070439  225.4714 31.48840 167.7984 55.34727 57.67305       63.67762 
1 1 1 -33 9  19 o 88.19006 38.63551 1.279170       3.061737  3.124257       4.369405  -0.5007454     4.291544  105.5998 46.21128 87.63197 41.11824 17.96786       61.85622 
1 1 1 -33 9  20 o 88.90267 39.59723 1.418987       3.345175  9.247920       4.924257  -5.290043      4.558473  140.8773 53.63884 72.94867 36.07187 67.92863       64.63981 
1 1 1 -33 9  21 o 273.7740 32.30143 22.62701       4.079796  29.75624       6.489150  17.96700       5.246384  269.8982 53.00294 203.7114 53.90942 66.18680       75.60118 
1 1 1 -33 9  22 o 160.8038 53.17053 12.97016       4.678400  17.79132       6.348042  7.238407       6.921619  162.6956 61.14140 107.6126 51.01456 55.08303       79.62886 
1 1 1 -33 9  23 o 118.0892 53.76768 12.19679       6.569013  12.19679       6.569013  0.000000       0.000000  118.0892 53.76768 ?        ?        0.000000       53.76768 
1 1 1 -33 9  24 o 73.38161 36.98761 -3.525565      5.942126  -3.525565      5.942126  0.000000       0.000000  73.38161 36.98761 ?        ?        0.000000       36.98761 
1 1 1 -33 11 1  o 126.4001 39.96235 4.180944       2.660486  0.4399524      6.186649  5.029740       2.946890  122.4082 54.21938 137.1506 41.85374 -14.74242      68.49436 
1 1 1 -33 11 2  o 135.1986 40.77041 4.886319       2.808478  8.637143       5.673937  3.669139       3.232203  171.7084 58.57352 122.2927 44.01857 49.41569       73.26999 
1 1 1 -33 11 3  o 151.3330 38.94440 6.162843       2.788530  8.591017       5.321312  5.243622       3.274077  171.0528 56.71341 139.2258 44.36532 31.82706       72.00481 
1 1 1 -33 11 4  o 244.7799 24.05432 14.80017       2.733961  7.362131       5.279600  17.52551       3.195818  159.9810 56.39817 265.5561 25.91351 -105.5752      62.06660 
1 1 1 -33 11 5  o 244.4195 22.97699 14.71957       2.610780  11.32799       5.326531  15.79202       2.995250  194.1007 55.53135 251.8721 25.63782 -57.77138      61.16395 
1 1 1 -33 11 6  o 181.8674 32.21294 8.602166       2.654974  14.44905       4.558416  5.600476       3.266139  228.6187 43.98386 142.0752 44.18260 86.54349       62.34326 
1 1 1 -33 11 7  o 211.8631 26.81717 11.32644       2.612781  8.625176       4.164693  13.07967       3.355201  171.7723 49.08900 224.3596 32.75654 -52.58725      59.01458 
1 1 1 -33 11 8  o 215.1328 26.64989 11.69739       2.639218  10.73372       4.449205  12.22057       3.278274  190.9625 49.21920 215.9407 33.34733 -24.97823      59.45228 
1 1 1 -33 11 9  f 113.2452 36.92306 3.395286       2.258986  2.692520       3.203504  4.090369       3.185945  109.9607 42.89334 123.6702 43.78806 -13.70956      61.29627 
1 1 1 -33 11 10 o 189.8403 30.89924 9.430209       2.664432  7.330122       3.916499  11.23960       3.635341  156.6168 48.32889 201.3676 39.78928 -44.75084      62.60087 
1 1 1 -33 11 11 o 211.0261 26.15330 11.34533       2.540537  11.62257       3.486620  11.03151       3.709447  205.9202 37.37085 197.4670 41.26387 8.453232       55.67124 
1 1 1 -33 11 12 o 211.8682 24.47972 11.37459       2.394811  11.38329       2.828320  11.35256       4.501274  208.6053 29.65776 191.6706 49.55806 16.93468       57.75452 
1 1 1 -33 11 13 o 130.0283 38.12917 4.823278       2.483536  4.823278       2.483536  0.000000       0.000000  130.0283 38.12917 ?        ?        0.000000       38.12917 
1 1 1 -33 11 14 o 209.2532 24.69757 11.22660       2.384206  12.85432       2.809647  7.039239       4.506417  221.9590 27.49844 145.7952 52.02889 76.16388       58.84870 
1 1 1 -33 11 15 o 190.5623 25.47086 9.441342       2.226094  9.358985       2.550996  9.704295       4.558224  186.3493 30.12955 167.8150 52.19669 18.53421       60.26843 
1 1 1 -33 11 16 f 320.7917 18.56910 25.58121       2.790113  24.53749       3.287122  28.27125       5.277186  310.0981 22.69206 314.9092 36.28833 -4.811157      42.79921 
1 1 1 -33 11 17 o 128.1020 42.77005 5.317582       3.024610  7.993461       4.134859  2.237914       4.435877  148.5625 50.00551 104.6237 46.14758 43.93878       68.04520 
1 1 1 -33 11 18 o 86.20700 40.49167 -0.8749119     4.180156  0.000000       0.000000  -0.8749119     4.180156  ?        ?        86.20700 40.49167 0.000000       40.49167 
1 1 1 -33 11 19 o 219.8932 36.56748 14.79810       3.649640  20.27943       5.343437  10.00500       4.996729  235.9540 49.71111 149.0687 54.56870 86.88528       73.81691 
1 1 1 -33 11 20 o 206.5990 40.00438 14.13020       3.747332  13.75149       5.418254  14.47745       5.188279  166.6066 57.23052 177.3923 55.77140 -10.78574      79.91109 
1 1 1 -33 11 21 o 84.35090 39.10509 0.9252503      3.697502  -4.866231      5.305415  6.394916       5.155905  75.98289 37.80048 112.2775 49.62608 -36.29459      62.38288 
1 1 1 -33 11 22 o 142.2162 54.98038 12.63143       5.227142  20.46076       7.243910  4.126041       7.550189  154.5837 63.06781 96.53125 47.48264 58.05247       78.94397 
1 1 1 -33 11 23 o 143.7546 60.63036 20.44887       7.015006  20.44887       7.015006  0.000000       0.000000  143.7546 60.63036 ?        ?        0.000000       60.63036 
1 1 1 -33 13 1  o 82.62798 35.59183 0.1791549      2.508346  0.2990488      6.366835  0.1571268      2.729064  122.4914 54.58772 85.57014 36.99113 36.92128       65.94061 
1 1 1 -33 13 2  o 207.7086 29.55383 10.93996       2.806164  7.954319       5.299207  12.10345       3.308054  165.3332 56.60526 216.5016 33.56880 -51.16835      65.81049 
1 1 1 -33 13 3  o 171.1218 31.40414 7.562523       2.434752  11.67729       5.369671  6.497601       2.731706  197.8339 55.46423 155.5841 37.71676 42.24979       67.07335 
1 1 1 -33 13 4  o 198.4416 27.97646 9.959681       2.539060  5.781301       5.494769  11.09409       2.863059  147.3649 56.52869 208.5403 30.05351 -61.17543      64.02114 
1 1 1 -33 13 5  f 79.13225 35.20081 -0.4708500     2.634791  6.254435       5.017030  -3.032105      3.096120  149.3173 54.67644 71.92319 34.10257 77.39410       64.43988 
1 1 1 -33 13 6  o 174.4867 31.15256 7.902543       2.463160  12.11144       4.605057  6.215815       2.915233  204.9374 48.52002 150.1431 40.39224 54.79439       63.13261 
1 1 1 -33 13 7  o 269.0281 22.77864 17.88404       2.855598  15.90653       4.590870  19.13199       3.646977  240.4283 42.12745 274.5841 28.65728 -34.15582      50.95058 
1 1 1 -33 13 8  o 229.8832 27.27358 13.40274       2.891770  10.41803       4.516984  15.47563       3.764302  186.6737 50.30373 242.6978 33.89749 -56.02417      60.65892 
1 1 1 -33 13 9  o 318.5876 21.42228 25.00846       3.191775  23.38585       4.642797  26.46255       4.395086  298.4060 33.66355 321.4939 29.38698 -23.08786      44.68589 
1 1 1 -33 13 10 o 259.5256 24.70391 16.93814       2.979495  16.17098       4.170592  17.73781       4.258054  243.7685 37.57828 256.5785 36.29199 -12.80997      52.24209 
1 1 1 -33 13 11 o 316.9437 21.31447 24.87950       3.159323  23.93436       4.122383  26.22473       4.918119  304.3275 29.15312 313.9206 33.84000 -9.593018      44.66599 
1 1 1 -33 13 12 o 116.2001 35.02741 3.727086       2.073289  4.306262       2.493175  2.428657       3.732989  123.3857 38.64006 108.6363 44.90171 14.74942       59.23866 
1 1 1 -33 13 13 o 143.4349 35.88152 5.811831       2.414930  5.811831       2.414930  0.000000       0.000000  143.4349 35.88152 ?        ?        0.000000       35.88152 
1 1 1 -33 13 14 o 112.7756 35.81663 3.597679       2.135256  4.223317       2.393358  1.157253       4.726928  120.7320 37.86676 104.7825 46.84050 15.94948       60.23225 
1 1 1 -33 13 15 o 58.27805 27.39890 -1.500420      1.921509  -0.4937626     2.121019  -6.108799      4.538140  68.21417 30.85830 75.27652 36.98473 -7.062347      48.16747 
1 1 1 -33 13 16 o 175.7117 30.38619 8.516941       2.420692  10.03574       2.878523  4.848659       4.473536  187.8650 33.81633 121.9126 49.62999 65.95240       60.05564 
1 1 1 -33 13 17 o 77.08720 34.45131 0.1639464      2.555376  0.2504888      3.139592  -0.5906813E-02 4.398408  83.52574 37.68615 92.04736 42.66526 -8.521622      56.92601 
1 1 1 -33 13 18 o 154.2997 54.77424 10.37923       4.988251  0.000000       0.000000  10.37923       4.988251  ?        ?        154.2997 54.77424 0.000000       54.77424 
1 1 1 -33 13 19 o 177.1227 47.23526 11.71809       4.007813  18.18074       5.630403  5.080338       5.706166  204.4639 56.60857 112.2530 50.71231 92.21088       76.00177 
1 1 1 -33 13 20 o 148.6795 49.05165 9.533994       3.982463  9.714626       5.651792  9.355864       5.612520  130.0904 54.62031 128.3338 54.18486 1.756531       76.93749 
1 1 1 -33 13 21 o 100.5440 45.38081 4.388965       4.557256  2.090071       5.444671  9.768134       8.328560  92.09496 44.09855 110.5219 53.32784 -18.42692      69.19928 
1 1 1 -33 13 22 o 106.8237 47.46775 6.888293       4.778682  10.13972       5.916042  0.7841856      8.105982  114.5600 51.70633 88.21857 44.30285 26.34138       68.09028 
1 1 1 -33 15 1  o 72.32785 32.95851 -1.169329      2.474594  0.000000       0.000000  -1.169329      2.474594  ?        ?        72.32785 32.95851 0.000000       32.95851 
1 1 1 -33 15 2  o 157.7070 36.57591 6.634770       2.660748  -0.4988110     9.660413  7.220351       2.767802  138.6334 63.89531 164.6147 36.68171 -25.98123      73.67604 
1 1 1 -33 15 3  o 211.2503 25.90695 11.16257       2.520484  4.166629       5.351353  13.15699       2.857259  135.6294 54.61397 228.9748 27.04973 -93.34532      60.94566 
1 1 1 -33 15 4  o 364.2903 19.05646 32.17683       3.254222  17.07450       5.880685  38.84279       3.906946  241.0456 53.28054 399.1587 20.88018 -158.1131      57.22586 
1 1 1 -33 15 5  o 127.1440 37.79795 4.354640       2.426643  1.932816       4.221325  5.549941       2.965626  112.7464 47.26456 141.6635 41.70145 -28.91705      63.03133 
1 1 1 -33 15 6  o 174.2346 31.12105 7.902626       2.457099  7.570349       4.344832  8.058859       2.979265  159.9141 51.12349 172.2923 37.79886 -12.37822      63.57959 
1 1 1 -33 15 7  o 211.2568 29.30270 11.46142       2.833559  1.822203       4.487982  17.85077       3.653918  113.0052 48.11509 263.8181 29.97535 -150.8130      56.68848 
1 1 1 -33 15 8  o 213.4240 33.70445 12.05268       3.271429  -1.868173      5.503063  19.66112       4.068361  102.6365 47.62634 274.7462 32.08303 -172.1097      57.42464 
1 1 1 -33 15 9  o 228.8825 28.21012 13.45290       2.973012  12.74577       4.384603  14.05470       4.044866  209.1380 45.83395 225.4363 39.58696 -16.29823      60.56301 
1 1 1 -33 15 10 o 134.2764 38.63861 5.086867       2.571954  4.671804       3.481379  5.585613       3.816222  128.2837 45.73560 137.3918 47.98243 -9.108093      66.28770 
1 1 1 -33 15 11 o 149.9037 37.01012 6.322990       2.594127  9.134336       3.344569  2.077884       4.109864  178.0840 40.80044 108.6956 46.15606 69.38840       61.60404 
1 1 1 -33 15 12 o 363.6093 20.45520 32.81024       3.484497  32.81024       3.484497  0.000000       0.000000  363.6093 20.45520 ?        ?        0.000000       20.45520 
1 1 1 -33 15 13 o 133.5347 33.45961 4.996835       2.097484  4.096385       2.313725  9.149822       4.968925  119.3732 37.19743 160.7939 54.81403 -41.42068      66.24369 
1 1 1 -33 15 14 o 255.4427 21.95782 16.54633       2.612822  17.32992       2.952753  13.71879       5.609018  259.2017 24.50776 191.7559 57.57047 67.44580       62.56988 
1 1 1 -33 15 15 o 356.3984 17.70428 31.42290       2.968132  32.16432       3.312583  28.40369       6.684701  358.0018 19.74672 291.4157 50.59958 66.58609       54.31621 
1 1 1 -33 15 16 o 322.1761 20.63125 26.40484       3.110287  30.00638       3.552745  14.58680       6.435656  341.4522 22.24034 177.4708 62.29193 163.9814       66.14317 
1 1 1 -33 15 17 o 88.81242 38.86919 1.333446       3.092013  0.6783592      4.114902  2.183024       4.686103  91.72157 42.06132 101.7077 45.95166 -9.986168      62.29534 
1 1 1 -33 15 18 o 110.0411 49.33956 4.370761       5.286987  0.000000       0.000000  4.370761       5.286987  ?        ?        110.0411 49.33956 0.000000       49.33956 
1 1 1 -33 15 19 o 94.51146 41.73507 2.511748       3.638363  -4.744352      5.042060  10.39492       5.255414  76.11157 37.68940 140.0918 54.85818 -63.98019      66.55758 
1 1 1 -33 15 20 o 100.4778 46.00358 4.133972       4.895584  1.684899       6.511334  7.318668       7.425114  94.03992 45.79430 108.3830 51.78958 -14.34305      69.13232 
1 1 1 -33 17 1  o 238.2772 23.48255 14.02728       2.597852  0.000000       0.000000  14.02728       2.597852  ?        ?        238.2772 23.48255 0.000000       23.48255 
1 1 1 -33 17 2  o 121.4435 36.23857 3.915085       2.227458  0.000000       0.000000  3.915085       2.227458  ?        ?        121.4435 36.23857 0.000000       36.23857 
1 1 1 -33 17 3  o 331.4682 20.89421 26.84440       3.241223  14.56599       9.688823  28.39166       3.439386  198.8551 75.35295 340.4956 21.58500 -141.6405      78.38354 
1 1 1 -33 17 4  o 87.69885 35.97591 1.063228       2.373306  0.3733651      8.859671  1.116558       2.463334  134.3141 61.63919 89.28352 36.64194 45.03059       71.70789 
1 1 1 -33 17 5  o 322.8529 23.02092 25.76150       3.473296  13.06106       6.244588  31.45066       4.179445  200.0892 60.89641 355.2219 25.17514 -155.1327      65.89507 
1 1 1 -33 17 6  f 272.2189 31.22783 19.16171       3.926446  0.000000       0.000000  19.16171       3.926446  ?        ?        272.2189 31.22783 0.000000       31.22783 
1 1 1 -33 17 7  o 160.4214 40.06752 7.226685       3.014647  4.233056       7.042358  7.898336       3.335732  138.0361 59.54733 166.2929 42.48703 -28.25679      73.15075 
1 1 1 -33 17 8  o 144.0341 41.68626 5.948908       2.985933  2.141845       4.989025  8.073723       3.727187  116.4132 50.16994 164.7599 46.21555 -48.34667      68.21217 
1 1 1 -33 17 9  o 115.4967 41.07519 3.595545       2.806375  0.5793002      4.129919  6.183116       3.825202  100.3873 44.39056 143.0072 48.09683 -42.61990      65.45095 
1 1 1 -33 17 10 o 298.2603 23.72189 22.41767       3.300733  20.33660       4.344609  25.25862       5.076194  274.3127 34.42780 303.9474 36.21653 -29.63477      49.96909 
1 1 1 -33 17 11 f 151.3815 39.35909 6.670326       2.828881  5.994330       3.571106  7.809156       4.635111  139.1287 46.47350 152.7210 52.90614 -13.59232      70.41908 
1 1 1 -33 17 12 o 203.8997 32.39883 11.34452       3.003581  11.34452       3.003581  0.000000       0.000000  203.8997 32.39883 ?        ?        0.000000       32.39883 
1 1 1 -33 17 13 o 69.82381 31.41510 -0.3621709     2.163767  -0.2064253     2.420099  -0.9827588     4.830885  74.53175 33.40244 94.49644 44.10723 -19.96470      55.32785 
1 1 1 -33 17 14 o 82.47398 34.05579 1.232009       2.144447  -0.6199432     2.361907  9.922712       5.116528  70.33986 32.10944 159.3987 55.56498 -89.05884      64.17541 
1 1 1 -33 17 15 o 98.36301 37.03180 2.707274       2.330769  1.968715       2.466664  8.861475       7.120382  91.23202 36.95839 137.9162 59.68505 -46.68421      70.20134 
1 1 1 -33 17 16 o 136.7849 41.60548 6.266251       2.915510  7.560726       3.256171  1.032699       6.547245  148.3005 43.70823 103.9016 49.36038 44.39896       65.93069 
1 1 1 -33 17 17 o 102.9943 41.48994 3.409002       3.089848  3.107875       3.554561  4.340072       6.250322  101.2131 42.94869 110.7489 51.16642 -9.535728      66.80264 
1 1 1 -33 17 18 o 71.52480 35.18454 -4.041799      4.147902  -2.984542      5.632784  -5.294293      6.130854  83.81377 41.18437 81.53500 40.57423 2.278763       57.81367 
1 1 1 -33 19 1  o 160.8710 31.96787 6.787926       2.333895  10.05351       6.181131  6.244940       2.520473  177.1660 61.11144 152.3377 35.78164 24.82832       70.81619 
1 1 1 -33 19 2  o 355.7279 17.96037 30.66114       2.995686  27.85077       7.459810  31.20149       3.271023  306.5429 53.68947 357.9241 19.50133 -51.38126      57.12146 
1 1 1 -33 19 3  o 161.9856 35.86975 7.086843       2.661103  11.17123       7.433702  6.486504       2.849971  180.1503 66.46420 153.0272 39.36611 27.12309       77.24753 
1 1 1 -33 19 4  o 113.5706 42.95808 3.121183       3.145300  -8.409632      7.344991  5.710464       3.480574  99.02894 48.31435 141.1418 45.82264 -42.11286      66.58822 
1 1 1 -33 19 5  o 89.90636 38.36671 0.7368303      2.865344  -1.472949      7.881056  1.073425       3.075837  120.1911 56.17965 94.78387 40.07108 25.40726       69.00611 
1 1 1 -33 19 6  o 116.5389 54.65390 -1.754162      7.565590  -1.754162      7.565590  0.000000       0.000000  116.5389 54.65390 ?        ?        0.000000       54.65390 
1 1 1 -33 19 7  o 87.63636 38.42619 0.2581266      3.034453  2.194161       4.495417  -1.362366      4.112794  112.9172 48.11814 90.41376 41.67801 22.50347       63.65855 
1 1 1 -33 19 8  o 198.1898 41.06498 11.25469       3.702598  13.59394       6.125355  9.907848       4.647841  196.1598 60.42477 175.0615 52.37175 21.09827       79.96220 
1 1 1 -33 19 9  o 63.94305 30.87460 -3.482928      2.803534  -4.117117      3.857841  -2.773187      4.081170  75.50793 36.39928 82.95083 39.27948 -7.442894      53.55170 
1 1 1 -33 19 10 o 115.5923 41.81882 3.780881       2.922141  5.313764       3.858884  1.720274       4.474092  131.1006 47.96027 106.8832 46.76752 24.21745       66.98798 
1 1 1 -33 19 11 o 90.49193 39.19138 0.9585205      3.074791  0.9585205      3.074791  0.000000       0.000000  90.49193 39.19138 ?        ?        0.000000       39.19138 
1 1 1 -33 19 12 o 117.4058 39.08986 4.111627       2.527024  4.712420       2.932931  2.380500       4.978559  123.5227 42.11251 110.0573 48.69891 13.46543       64.38205 
1 1 1 -33 19 13 o 142.0948 37.32957 6.080999       2.527520  7.040099       2.798714  1.839180       5.885762  151.6992 39.00298 109.2447 50.17332 42.45451       63.54994 
1 1 1 -33 19 14 o 206.1626 28.29643 11.61194       2.671788  14.28855       2.970269  0.2661712      6.115341  229.0331 28.16284 102.1837 48.29515 126.8494       55.90677 
1 1 1 -33 19 15 o 159.2756 35.01811 7.644800       2.552222  8.818152       2.814570  2.216409       6.053876  170.0580 36.28975 105.8654 49.40104 64.19258       61.29771 
1 1 1 -33 19 16 o 131.6732 43.95293 6.348389       3.194219  6.094954       3.663328  7.152201       6.524082  125.1620 46.56188 121.2672 54.55612 3.894783       71.72433 
1 1 1 -33 21 1  o 102.0561 41.49633 1.904320       3.122617  4.247920       6.205015  1.109514       3.613529  135.3987 57.05991 100.4312 42.97752 34.96755       71.43459 
1 1 1 -33 21 2  o 248.8944 22.86317 15.42529       2.646905  15.37753       6.567312  15.43455       2.892219  213.0168 61.87201 247.5325 25.18975 -34.51570      66.80322 
1 1 1 -33 21 3  o 104.9033 39.09761 2.664587       2.585296  0.2212819      4.358642  3.990757       3.211159  101.2436 45.13876 121.5778 43.86057 -20.33418      62.93851 
1 1 1 -33 21 4  o 124.7029 42.16625 4.356924       2.940184  0.7814167      4.452096  7.122474       3.915493  104.5973 46.17896 152.9772 48.49242 -48.37995      66.96276 
1 1 1 -33 21 5  o 88.03676 38.43095 0.3930909      3.005486  -3.396874      4.359585  3.825803       4.149026  84.43031 40.15947 122.0567 48.44416 -37.62635      62.92551 
1 1 1 -33 21 6  o 108.6070 45.40880 2.299756       3.881004  -2.626338      6.719953  4.765161       4.753998  106.2018 50.32248 129.9408 51.76661 -23.73902      72.19511 
1 1 1 -33 21 7  o 135.6788 44.39561 5.544173       3.264784  3.826191       4.545309  7.375149       4.692406  121.6284 49.82833 149.4016 53.11555 -27.77313      72.82941 
1 1 1 -33 21 8  o 110.0574 42.77724 3.146277       3.177429  5.042849       4.370476  1.019917       4.627672  128.9697 50.15796 104.1805 46.47496 24.78915       68.37941 
1 1 1 -33 21 9  o 202.7743 37.84554 11.79504       3.477141  11.20604       4.483148  12.68431       5.508588  183.8466 50.35590 186.3075 57.28739 -2.460876      76.27294 
1 1 1 -33 21 10 o 143.0813 41.56582 6.320759       2.963734  7.306323       3.430692  3.421522       5.884117  150.8645 44.96352 119.1010 52.80978 31.76347       69.35843 
1 1 1 -33 21 11 o 88.89035 38.66011 1.013123       3.017218  1.013123       3.017218  0.000000       0.000000  88.89035 38.66011 ?        ?        0.000000       38.66011 
1 1 1 -33 21 12 o 89.35284 37.70885 1.523320       2.716213  1.906168       3.014264  -0.1304400     6.264762  94.47923 39.79008 102.7842 48.66963 -8.304962      62.86480 
1 1 1 -33 23 1  o 92.15134 37.46648 1.511206       2.545350  3.585018       5.769087  1.009936       2.836341  126.9107 54.30614 90.77687 38.43386 36.13379       66.53058 
1 1 1 -33 23 2  o 85.31191 36.15688 0.8031771      2.514315  0.9286565      5.832842  0.7745401      2.786493  113.7681 51.34588 88.17696 37.73708 25.59118       63.72195 
1 1 1 -33 23 3  o 136.4232 39.94238 5.384185       2.727235  -0.2690459E-01 4.159562  9.464280       3.611938  96.49828 43.47348 178.8313 43.38057 -82.33299      61.41513 
1 1 1 -33 23 4  o 93.48106 40.76043 0.7699470      3.372169  -1.818584      4.264016  5.092153       5.509915  88.67822 41.40734 132.4710 54.63413 -43.79279      68.55257 
1 1 1 -33 23 5  o 117.3367 44.03736 3.850204       3.291038  4.852572       4.270694  2.384661       5.163973  127.7771 49.61317 114.7978 50.23695 12.97935       70.60608 
1 1 1 -33 23 6  o 120.3839 41.99122 4.248059       2.922287  5.865712       3.559085  0.9010108      5.119490  136.6087 46.39144 106.2796 48.02226 30.32919       66.77052 
1 1 1 -33 23 7  o 89.88268 38.95121 0.9208984      3.040923  -2.389362      3.519171  10.67777       6.041774  76.97105 36.45573 164.5158 60.03757 -87.54472      70.23910 
1 1 1 -32 0  1  f 656.3482 27.55893 102.6357       8.474645  102.6357       8.474645  102.6357       8.474645  656.3482 27.55893 656.3482 27.55893 0.000000       0.000000 
1 1 1 -32 0  2  o 76.47173 50.65293 -1.015337      4.786280  -1.015337      4.786280  -1.015337      4.786280  76.47173 50.65293 76.47173 50.65293 0.000000       0.000000 
1 1 1 -32 0  3  o 84.35802 53.96338 0.4796858      4.802427  0.4796858      4.802427  0.4796858      4.802427  84.35802 53.96338 84.35802 53.96338 0.000000       0.000000 
1 1 1 -32 0  4  o 118.2289 61.84628 4.994341       4.518102  4.994341       4.518102  4.994341       4.518102  118.2289 61.84628 118.2289 61.84628 0.000000       0.000000 
1 1 1 -32 0  5  o 334.0432 32.00380 27.24152       4.922880  27.24152       4.922880  27.24152       4.922880  334.0432 32.00380 334.0432 32.00380 0.000000       0.000000 
1 1 1 -32 0  6  o 166.9425 51.29225 8.317177       3.522304  8.317177       3.522304  8.317177       3.522304  166.9425 51.29225 166.9425 51.29225 0.000000       0.000000 
1 1 1 -32 0  7  o 357.8326 26.22503 30.83759       4.359839  30.83759       4.359839  30.83759       4.359839  357.8326 26.22503 357.8326 26.22503 0.000000       0.000000 
1 1 1 -32 0  8  o 87.47375 52.10500 2.089774       3.766618  2.089774       3.766618  2.089774       3.766618  87.47375 52.10500 87.47375 52.10500 0.000000       0.000000 
1 1 1 -32 0  9  o 72.70065 43.97299 1.268537       2.765887  1.268537       2.765887  1.268537       2.765887  72.70065 43.97299 72.70065 43.97299 0.000000       0.000000 
1 1 1 -32 0  10 o 210.2832 33.84592 11.31805       3.087848  11.31805       3.087848  11.31805       3.087848  210.2832 33.84592 210.2832 33.84592 0.000000       0.000000 
1 1 1 -32 0  11 o 384.2979 23.75700 35.42091       4.257052  35.42091       4.257052  35.42091       4.257052  384.2979 23.75700 384.2979 23.75700 0.000000       0.000000 
1 1 1 -32 0  12 o 128.6180 53.03825 5.627230       3.180335  5.627230       3.180335  5.627230       3.180335  128.6180 53.03825 128.6180 53.03825 0.000000       0.000000 
1 1 1 -32 0  14 o 157.1757 52.77811 7.722973       3.484482  7.722973       3.484482  7.722973       3.484482  157.1757 52.77811 157.1757 52.77811 0.000000       0.000000 
1 1 1 -32 0  15 o 73.31242 45.85573 0.9100949      3.252345  0.9100949      3.252345  0.9100949      3.252345  73.31242 45.85573 73.31242 45.85573 0.000000       0.000000 
1 1 1 -32 0  16 o 173.4599 52.40672 9.075827       3.729823  9.075827       3.729823  9.075827       3.729823  173.4599 52.40672 173.4599 52.40672 0.000000       0.000000 
1 1 1 -32 0  17 o 554.7223 36.65293 75.41618       9.468502  75.41618       9.468502  75.41618       9.468502  554.7223 36.65293 554.7223 36.65293 0.000000       0.000000 
1 1 1 -32 0  18 o 515.9953 22.50835 63.71338       5.439693  63.71338       5.439693  63.71338       5.439693  515.9953 22.50835 515.9953 22.50835 0.000000       0.000000 
1 1 1 -32 0  19 o 99.07161 52.04491 3.610708       3.209717  3.610708       3.209717  3.610708       3.209717  99.07161 52.04491 99.07161 52.04491 0.000000       0.000000 
1 1 1 -32 0  20 o 80.03062 48.14486 1.784432       3.279915  1.784432       3.279915  1.784432       3.279915  80.03062 48.14486 80.03062 48.14486 0.000000       0.000000 
1 1 1 -32 0  21 o 68.85499 44.01905 0.4840590      3.189508  0.4840590      3.189508  0.4840590      3.189508  68.85499 44.01905 68.85499 44.01905 0.000000       0.000000 
1 1 1 -32 0  22 o 67.48151 46.63955 -3.186682      5.015909  -3.186682      5.015909  -3.186682      5.015909  67.48151 46.63955 67.48151 46.63955 0.000000       0.000000 
1 1 1 -32 0  23 o 85.26479 56.61108 -0.3329370     6.035399  -0.3329370     6.035399  -0.3329370     6.035399  85.26479 56.61108 85.26479 56.61108 0.000000       0.000000 
1 1 1 -32 0  24 o 128.3805 72.02711 7.039239       6.562154  7.039239       6.562154  7.039239       6.562154  128.3805 72.02711 128.3805 72.02711 0.000000       0.000000 
1 1 1 -32 0  25 o 231.2256 83.34505 20.05648       8.305181  20.05648       8.305181  20.05648       8.305181  231.2256 83.34505 231.2256 83.34505 0.000000       0.000000 
1 1 1 -32 2  1  o 328.2054 26.97762 26.23124       4.128168  29.48678       6.143713  23.55148       5.574001  342.1035 38.86710 304.8534 39.82073 37.25012       55.64478 
1 1 1 -32 2  2  o 343.3476 38.06253 29.66803       6.044095  29.66803       6.044095  0.000000       0.000000  343.3476 38.06253 ?        ?        0.000000       38.06253 
1 1 1 -32 2  3  o 443.7616 21.30179 47.21605       4.446672  43.22509       6.382493  50.98038       6.198624  418.1283 32.71042 456.5959 29.01040 -38.46753      43.72156 
1 1 1 -32 2  4  f 118.9885 43.54726 3.132749       3.181883  1.101408       4.991581  4.523145       4.129677  119.2793 50.76361 137.9832 49.74557 -18.70393      71.07438 
1 1 1 -32 2  5  o 106.3832 41.10412 2.114550       2.920310  3.623352       4.657028  1.136763       3.748995  133.1511 51.77839 106.8295 44.64465 26.32164       68.36773 
1 1 1 -32 2  6  o 182.2452 32.67862 8.440886       2.698570  2.678356       4.228366  12.40099       3.505250  122.3470 48.79591 220.7381 34.91945 -98.39101      60.00340 
1 1 1 -32 2  7  o 94.46748 36.06680 1.705689       2.230200  0.2513945      3.230605  3.029748       3.082559  93.84174 40.40731 116.2446 42.81379 -22.40284      58.87080 
1 1 1 -32 2  8  o 302.8543 19.69823 22.14791       2.791015  20.18985       3.879817  24.24792       4.017990  284.6058 29.40382 313.1654 27.55564 -28.55957      40.29762 
1 1 1 -32 2  9  o 598.6583 21.12967 86.68435       5.950328  0.000000       0.000000  86.68435       5.950328  ?        ?        598.6583 21.12967 0.000000       21.12967 
1 1 1 -32 2  10 o 217.5390 22.31730 11.62211       2.251405  14.61542       3.338459  9.125181       3.049113  240.2641 30.20614 186.2375 36.10800 54.02664       47.07652 
1 1 1 -32 2  11 o 420.0661 15.83424 42.29690       3.128845  45.76683       4.504544  39.06208       4.349251  432.5413 22.21374 398.7603 23.28765 33.78101       32.18330 
1 1 1 -32 2  12 o 251.2908 20.82107 15.48721       2.439041  13.07075       3.375514  18.12723       3.528200  223.9435 33.03500 267.4303 28.48456 -43.48676      43.61973 
1 1 1 -32 2  13 o 304.0082 19.06169 22.54988       2.712150  23.47555       3.681052  21.45065       4.011314  305.6958 25.84048 289.0397 29.93659 16.65607       39.54655 
1 1 1 -32 2  14 o 352.2498 18.27906 30.25356       3.018413  32.48719       4.369765  28.21529       4.174301  358.6242 26.08157 333.4392 26.84057 25.18500       37.42545 
1 1 1 -32 2  15 o 532.9024 24.02640 71.12289       6.022900  0.000000       0.000000  71.12289       6.022900  ?        ?        532.9024 24.02640 0.000000       24.02640 
1 1 1 -32 2  16 o 309.5490 20.04886 23.72882       2.903678  20.37598       3.738577  28.82635       4.609778  279.3997 28.86118 331.5245 29.88048 -52.12473      41.54288 
1 1 1 -32 2  17 o 134.0225 41.86132 5.390890       2.928345  4.776561       3.193323  8.638526       7.342194  126.2658 43.90367 150.4632 62.64420 -24.19743      76.49724 
1 1 1 -32 2  18 o 136.3983 41.63704 5.695043       2.916125  8.784186       4.678735  3.732702       3.729036  157.4353 53.19168 115.4353 45.89187 42.00004       70.25254 
1 1 1 -32 2  19 o 198.7769 27.87701 10.57242       2.534962  7.557073       3.398794  14.35268       3.805546  152.7611 44.55088 221.6472 37.85881 -68.88612      58.46427 
1 1 1 -32 2  20 o 278.4479 21.29892 19.80514       2.768628  28.17338       3.975768  11.92630       3.857760  326.0037 26.14561 192.7372 43.57318 133.2664       50.81550 
1 1 1 -32 2  21 f 147.1940 39.80864 6.981193       2.822765  7.524311       3.201827  5.086207       5.980720  148.9097 43.18711 118.1193 52.75328 30.79034       68.17650 
1 1 1 -32 2  22 o 208.5444 63.32026 21.48335       6.757390  0.000000       0.000000  21.48335       6.757390  ?        ?        208.5444 63.32026 0.000000       63.32026 
1 1 1 -32 2  23 o 169.1313 52.88670 12.82978       4.672534  15.52616       6.953099  10.60939       6.309593  151.2283 61.75414 131.2715 56.49733 19.95682       83.69899 
1 1 1 -32 2  24 o 146.0003 54.24134 11.92920       4.968086  14.33115       6.748593  9.087397       7.340544  135.9618 58.47207 111.9787 52.92086 23.98312       78.86444 
1 1 1 -32 2  25 o 123.4907 57.10212 16.92033       7.809284  16.92033       7.809284  0.000000       0.000000  123.4907 57.10212 ?        ?        0.000000       57.10212 
1 1 1 -32 4  1  o 405.5067 23.57691 39.69209       4.477911  48.34998       7.007559  33.71687       5.821539  441.8055 33.97889 368.5572 33.96071 73.24829       48.04055 
1 1 1 -32 4  2  o 325.7296 26.65294 25.86766       4.048103  31.60326       6.378594  21.99965       5.238168  353.5113 39.00728 294.4905 38.75401 59.02075       54.98583 
1 1 1 -32 4  3  o 139.8389 44.89405 5.001046       3.347816  5.316269       5.199774  4.777861       4.375309  149.7877 55.52272 141.5089 51.17484 8.278809       75.50918 
1 1 1 -32 4  4  o 144.4195 42.70776 5.448638       3.104201  7.553715       5.077052  4.191874       3.922874  167.6841 55.38690 133.6033 48.43512 34.08083       73.57764 
1 1 1 -32 4  5  o 286.6619 23.19030 19.95703       3.100339  16.11954       5.262718  21.99674       3.836816  245.6134 47.26572 299.1464 27.57623 -53.53297      54.72199 
1 1 1 -32 4  6  o 532.1517 16.55147 67.55973       4.143251  62.15657       6.444708  71.36614       5.409249  503.6937 27.30188 544.5283 21.11773 -40.83459      34.51596 
1 1 1 -32 4  7  o 255.3743 23.66427 15.94135       2.810452  18.46301       3.946717  13.34721       4.003041  271.2122 31.52357 226.3224 39.00893 44.88982       50.15408 
1 1 1 -32 4  8  o 365.7065 17.72100 32.05344       3.048528  26.63495       4.082607  38.88229       4.583230  328.5978 26.64148 398.7110 24.55624 -70.11319      36.23227 
1 1 1 -32 4  9  o 292.3957 19.37428 20.68742       2.649709  16.80184       3.607249  25.24079       3.904939  258.1768 30.27714 319.5307 26.21039 -61.35394      40.04609 
1 1 1 -32 4  11 o 71.95691 31.13231 0.2751187E-01  1.936293  -4.408442      2.728750  4.526324       2.748016  60.61029 29.54370 129.4839 40.56960 -68.87366      50.18688 
1 1 1 -32 4  12 o 173.0097 30.78190 7.787858       2.413345  7.660524       3.202609  7.955174       3.671138  165.7519 41.24168 166.3981 45.56427 -0.6462555     61.45713 
1 1 1 -32 4  13 o 346.7802 18.76471 29.30645       3.049627  32.93395       4.192850  25.23187       4.443722  363.1336 24.69227 312.8301 30.58877 50.30350       39.31134 
1 1 1 -32 4  15 o 302.8224 21.16737 22.75868       2.996291  25.30568       3.836984  18.77824       4.796679  315.1894 26.11432 257.6230 40.95150 57.56644       48.56936 
1 1 1 -32 4  16 o 249.9614 24.07029 15.85569       2.795254  18.52604       3.572134  11.63780       4.489430  266.1113 29.00593 191.9756 49.42019 74.13574       57.30357 
1 1 1 -32 4  17 o 294.2565 21.15591 21.67556       2.908834  25.80586       3.649426  14.48022       4.816811  317.8819 24.59704 213.7287 48.96142 104.1532       54.79265 
1 1 1 -32 4  18 o 131.0813 43.23935 5.334993       3.094630  1.165280       4.323925  9.713721       4.430972  101.1820 45.04618 168.0733 51.32880 -66.89123      68.29205 
1 1 1 -32 4  19 o 149.6617 35.19504 6.508068       2.436171  7.927045       3.048221  3.999213       4.053186  160.7940 40.36171 116.0547 47.24251 44.73936       62.13632 
1 1 1 -32 4  20 o 81.67329 34.53142 1.082224       2.284498  0.2943599      2.966232  2.230901       3.581614  82.48640 36.97272 99.71611 42.73246 -17.22971      56.50704 
1 1 1 -32 4  21 o 155.9308 40.63972 7.916561       3.011214  10.86207       5.524329  6.671472       3.591696  153.5476 57.16723 134.8537 46.58030 18.69385       73.74155 
1 1 1 -32 4  22 o 276.6970 27.59769 21.32955       3.544160  22.56243       6.400632  20.78440       4.256213  224.8402 59.56625 260.4384 35.67961 -35.59821      69.43466 
1 1 1 -32 4  23 o 133.5491 49.82397 8.227290       4.200498  10.47563       5.456072  4.955410       6.581854  136.7790 55.12149 106.6943 50.32832 30.08469       74.64127 
1 1 1 -32 4  24 o 104.7718 46.90181 5.405236       4.757164  12.77646       6.721801  -1.991677      6.733505  127.5633 56.50863 85.37630 42.49158 42.18697       70.70191 
1 1 1 -32 4  25 f 113.7381 53.68663 13.52259       7.512415  13.52259       7.512415  0.000000       0.000000  113.7381 53.68663 ?        ?        0.000000       53.68663 
1 1 1 -32 4  26 o 96.26779 47.13831 9.750299       7.180691  9.750299       7.180691  0.000000       0.000000  96.26779 47.13831 ?        ?        0.000000       47.13831 
1 1 1 -32 6  1  o 211.9516 39.21025 11.57241       3.765370  11.16922       5.737814  11.87737       4.990192  200.1766 57.74355 209.1889 51.14064 -9.012329      77.13419 
1 1 1 -32 6  2  o 330.5727 26.08794 26.64750       4.023762  20.82478       6.126354  31.06487       5.336068  280.2986 48.20130 353.7751 32.42531 -73.47656      58.09273 
1 1 1 -32 6  3  o 315.7424 25.54683 24.31382       3.761850  28.11168       6.410901  22.31942       4.645754  330.0652 42.26097 298.5674 33.66614 31.49774       54.03146 
1 1 1 -32 6  4  o 269.9793 26.89611 17.91246       3.370307  20.00082       5.652407  16.76041       4.198237  275.4717 45.18742 256.9853 35.69247 18.48645       57.58347 
1 1 1 -32 6  5  o 98.78866 42.88655 0.1096881      3.699490  2.289220       5.035321  -2.446790      5.453390  125.7303 52.07290 105.2569 48.32465 20.47338       71.04124 
1 1 1 -32 6  6  o 231.7612 28.03044 13.34705       2.993797  20.29108       5.163500  9.830560       3.674457  279.2018 40.49662 192.2631 41.81881 86.93872       58.21331 
1 1 1 -32 6  7  o 139.9214 35.20896 5.123813       2.315552  4.259700       3.992416  5.561831       2.842475  132.6190 48.74245 144.5214 40.29638 -11.90244      63.24259 
1 1 1 -32 6  8  o 327.9760 20.17284 26.04818       3.097188  25.03415       4.859299  26.74198       4.019424  313.8338 33.43044 329.1527 26.17578 -15.31888      42.45899 
1 1 1 -32 6  9  o 255.2830 25.61524 16.16000       3.034539  12.85562       5.821241  17.39299       3.555901  206.9642 57.65246 262.9360 29.24499 -55.97176      64.64577 
1 1 1 -32 6  10 o 375.8861 16.40872 33.90640       2.901351  39.16373       4.022863  28.20749       4.188402  400.6708 21.42172 336.5096 26.67815 64.16129       34.21423 
1 1 1 -32 6  11 o 232.9529 23.29728 13.44616       2.518719  9.450060       3.535921  17.56240       3.588679  184.8349 41.66408 262.6924 29.55465 -77.85747      51.08202 
1 1 1 -32 6  12 o 252.3017 21.10437 15.66494       2.481732  12.90772       3.337757  19.07382       3.711283  221.9890 32.96461 273.2102 29.33673 -51.22124      44.12833 
1 1 1 -32 6  13 o 154.6853 31.94882 6.362872       2.247771  5.886143       2.934902  7.039240       3.495821  144.0230 41.22602 155.1808 45.16103 -11.15773      61.14821 
1 1 1 -32 6  14 o 178.9144 29.50365 8.379200       2.396512  10.02778       3.044591  5.694136       3.885537  192.3940 34.92733 138.5439 48.41445 53.85010       59.69822 
1 1 1 -32 6  15 o 233.2640 22.85625 13.67214       2.475746  15.27448       3.131506  11.00115       4.043075  243.0082 27.90037 191.7452 45.50756 51.26302       53.37947 
1 1 1 -32 6  16 o 355.4084 21.11954 31.45258       3.514992  31.24836       3.668576  33.73960       12.27662  353.2402 22.19067 252.7215 86.15881 100.5187       88.97059 
1 1 1 -32 6  17 o 171.6062 30.88835 7.973828       2.401736  12.25094       2.987073  0.1521163      4.039443  213.7024 30.58685 94.72855 42.74331 118.9738       52.55993 
1 1 1 -32 6  18 o 139.2113 42.24465 6.013415       3.008342  11.04340       4.427470  1.699502       4.100227  180.9558 50.23358 102.4779 44.80722 78.47793       67.31345 
1 1 1 -32 6  19 o 220.0549 27.17854 12.90475       2.753588  14.53536       3.431449  9.955806       4.614612  227.7224 32.99455 164.4152 52.69988 63.30727       62.17651 
1 1 1 -32 6  20 o 70.07008 31.52585 -0.1772938     2.179042  -0.8642610     2.637505  1.299866       3.867577  71.66491 33.15448 95.10037 42.45111 -23.43546      53.86387 
1 1 1 -32 6  21 o 103.1978 41.70177 3.244872       3.132036  -3.052913      5.069849  7.131883       3.982988  83.98338 40.78503 135.2798 48.84128 -51.29641      63.63089 
1 1 1 -32 6  22 o 100.6866 41.95295 3.248390       3.296659  -1.112366      5.608275  5.550698       4.075023  89.84821 43.45389 117.1094 47.48159 -27.26116      64.36414 
1 1 1 -32 6  23 o 88.05689 41.32384 1.007301       4.337344  5.648038       5.701907  -5.365637      6.681847  108.5569 49.68243 82.30247 41.17235 26.25445       64.52524 
1 1 1 -32 6  24 o 90.62255 44.44238 1.459572       6.458032  1.459572       6.458032  0.000000       0.000000  90.62255 44.44238 ?        ?        0.000000       44.44238 
1 1 1 -32 6  25 o 81.17298 40.75718 -1.408442      6.844076  -1.408442      6.844076  0.000000       0.000000  81.17298 40.75718 ?        ?        0.000000       40.75718 
1 1 1 -32 6  26 o 90.78416 44.81200 7.556481       6.926692  7.556481       6.926692  0.000000       0.000000  90.78416 44.81200 ?        ?        0.000000       44.81200 
1 1 1 -32 8  1  o 426.5673 22.68781 43.97091       4.536126  45.87368       7.192008  42.71396       5.845429  427.1821 36.12923 416.2597 30.05472 10.92242       46.99582 
1 1 1 -32 8  2  o 81.36936 37.46205 -2.026395      3.308591  -0.1301427E-01 6.967671  -2.612539      3.759475  129.5382 57.45085 84.83154 39.36450 44.70663       69.64312 
1 1 1 -32 8  3  o 327.4744 21.87731 25.94949       3.350689  24.97378       6.371195  26.32253       3.939490  307.7349 45.37386 328.0916 25.73191 -20.35672      52.16242 
1 1 1 -32 8  4  o 147.7233 39.21861 5.752285       2.770862  8.685334       5.543470  4.775423       3.199180  175.8710 57.86477 135.7648 43.91767 40.10622       72.64360 
1 1 1 -32 8  5  o 172.9146 34.49448 7.724215       2.707397  10.16986       5.343204  6.879409       3.140385  188.5241 56.09713 160.4758 41.34519 28.04828       69.68726 
1 1 1 -32 8  6  o 453.1386 17.73927 49.20639       3.781256  48.10367       5.783380  50.02973       4.997332  441.2140 28.01046 453.1973 23.52217 -11.98331      36.57702 
1 1 1 -32 8  7  o 416.3181 18.00637 41.61106       3.526311  42.93988       5.469617  40.66588       4.613006  416.0803 28.11028 407.6267 24.16538 8.453644       37.06958 
1 1 1 -32 8  8  o 127.3067 36.40738 4.282189       2.290000  -2.418613      3.520411  9.197384       3.015090  81.24021 37.83005 187.3853 35.50513 -106.1451      51.88186 
1 1 1 -32 8  9  o 195.3645 26.89427 9.601669       2.406061  8.502133       3.373428  10.74019       3.432715  176.3089 41.38462 200.9940 37.69125 -24.68513      55.97604 
1 1 1 -32 8  10 o 240.6176 22.85047 14.29529       2.555342  18.57031       3.790614  10.73425       3.459624  269.8873 30.38640 199.9247 38.17931 69.96259       48.79542 
1 1 1 -32 8  11 o 274.0316 21.38502 18.45712       2.734811  18.66625       3.444544  18.10048       4.498212  271.9946 27.28967 260.0456 37.88548 11.94901       46.69085 
1 1 1 -32 8  12 o 455.3819 16.37960 49.99868       3.508717  50.23764       4.539468  49.64404       5.530027  452.6375 21.31990 444.3323 26.57954 8.305237       34.07359 
1 1 1 -32 8  13 o 241.4581 22.47229 14.51561       2.523154  12.89085       3.164477  17.35137       4.180629  221.9572 31.16743 253.9681 36.00195 -32.01091      47.61878 
1 1 1 -32 8  14 o 83.88644 34.00206 1.155761       2.089108  2.606418       2.588415  -1.555075      3.538370  103.7328 39.03049 83.06874 38.42010 20.66410       54.76754 
1 1 1 -32 8  15 o 159.9642 30.93394 6.851686       2.243510  10.23260       2.680264  -1.061572      4.100512  197.0262 29.85439 90.91750 41.80128 106.1087       51.36761 
1 1 1 -32 8  16 o 169.0014 35.02728 7.950415       2.693147  7.292027       2.755136  22.08978       12.76782  159.9958 37.29562 191.6339 81.36256 -31.63814      89.50324 
1 1 1 -32 8  17 o 355.3346 18.03057 31.11169       3.003938  34.28875       3.662673  24.58352       5.250265  369.9734 21.13312 292.6029 39.12433 77.37048       44.46709 
1 1 1 -32 8  18 o 225.6283 25.47488 13.28504       2.656457  11.62755       3.101254  17.85218       5.147954  204.0311 33.47375 235.3029 48.13188 -31.27180      58.62738 
1 1 1 -32 8  19 o 105.3637 40.17946 3.180026       2.765764  4.967301       3.524658  0.3161067      4.461713  122.8691 45.67939 95.28502 43.73320 27.58411       63.23922 
1 1 1 -32 8  20 o 214.2956 36.13314 13.65173       3.512844  15.35375       5.158352  12.17974       4.797118  201.1552 53.56141 177.0042 53.26348 24.15099       75.53690 
1 1 1 -32 8  21 o 119.4876 45.15041 5.224252       3.472289  7.993461       5.335295  3.189477       4.573395  131.6866 53.97120 104.7014 46.48498 26.98522       71.23022 
1 1 1 -32 8  22 o 103.2178 43.28474 3.712718       3.542316  10.07729       5.719029  -0.2488629     4.512031  135.4138 55.73249 86.18867 40.95462 49.22516       69.16207 
1 1 1 -32 8  23 o 200.6336 40.68573 14.11878       3.708479  11.28419       6.594064  15.43009       4.484973  126.4750 56.00065 193.3484 49.19252 -66.87334      74.53842 
1 1 1 -32 8  24 o 88.94747 43.88849 1.292509       6.621530  1.292509       6.621530  0.000000       0.000000  88.94747 43.88849 ?        ?        0.000000       43.88849 
1 1 1 -32 8  25 o 76.71963 38.51969 -2.324614      6.110385  -2.324614      6.110385  0.000000       0.000000  76.71963 38.51969 ?        ?        0.000000       38.51969 
1 1 1 -32 10 1  o 223.2283 29.60562 12.44388       3.032103  14.21522       6.881713  12.01717       3.377628  219.3222 63.22986 217.2847 34.17397 2.037506       71.87402 
1 1 1 -32 10 2  o 221.2011 29.78288 12.24526       3.020248  28.81800       6.282910  7.264715       3.444309  333.3528 40.92673 164.3767 43.76644 168.9761       59.92077 
1 1 1 -32 10 3  f 273.1986 25.88021 18.36119       3.286291  21.96015       6.140664  16.91672       3.890274  285.5767 47.37144 258.8285 32.68044 26.74820       57.55053 
1 1 1 -32 10 4  o 395.2167 19.26133 37.54132       3.580889  24.80802       6.326539  43.54361       4.343642  304.5497 45.56077 423.8228 21.86161 -119.2731      50.53428 
1 1 1 -32 10 5  o 329.8622 21.82810 26.45057       3.367875  25.95256       6.027872  26.67658       4.060820  313.7303 41.89142 328.7948 26.47991 -15.06458      49.55882 
1 1 1 -32 10 6  o 114.4345 36.50381 3.348649       2.216107  2.391233       4.355378  3.683116       2.574257  119.1000 48.78243 119.9071 39.43110 -0.8071136     62.72589 
1 1 1 -32 10 7  o 180.2182 30.05009 8.290743       2.457790  8.503563       4.288940  8.186684       2.999066  172.6269 49.96035 175.5122 37.46579 -2.885269      62.44775 
1 1 1 -32 10 8  o 464.9558 16.83263 51.91080       3.681570  46.05195       5.115799  58.20452       5.302258  431.7657 25.29856 487.9372 23.10083 -56.17145      34.25880 
1 1 1 -32 10 9  o 233.0257 23.05786 13.41865       2.494338  11.01528       3.455156  16.03448       3.604644  203.1142 37.54545 250.1178 31.32414 -47.00366      48.89645 
1 1 1 -32 10 10 o 94.19807 40.54591 0.6079073      3.250395  0.000000       0.000000  0.6079073      3.250395  ?        ?        94.19807 40.54591 0.000000       40.54591 
1 1 1 -32 10 11 o 367.3632 16.80581 32.55230       2.904186  28.32931       3.557267  40.99287       5.029123  338.7798 22.44903 404.0352 26.60979 -65.25540      34.81437 
1 1 1 -32 10 12 o 155.3565 30.43125 6.347290       2.144358  5.637934       2.573639  7.957789       3.877890  142.6624 37.76001 163.6032 47.55139 -20.94080      60.72029 
1 1 1 -32 10 13 o 190.4233 27.76610 9.348804       2.413991  11.83794       2.983647  4.631392       4.107478  212.6842 30.71221 129.5763 49.07197 83.10791       57.89040 
1 1 1 -32 10 14 o 101.3180 35.17488 2.650253       2.049397  2.323677       2.475222  3.362158       3.654544  99.77247 38.01931 116.2037 45.67287 -16.43122      59.42625 
1 1 1 -32 10 15 o 80.65844 33.99643 0.7402569      2.203206  0.9409443      2.235600  -6.034483      12.98914  82.91873 34.54867 126.3452 62.17321 -43.42648      71.12748 
1 1 1 -32 10 16 o 86.89362 34.14856 1.582343       2.042728  1.410954       2.337525  2.136181       4.202003  87.92052 35.84313 107.7495 46.23337 -19.82895      58.50004 
1 1 1 -32 10 17 o 140.1561 35.42385 5.643653       2.336592  9.192547       2.718744  -4.385669      4.570436  182.2085 32.93188 80.83605 39.12846 101.3724       51.14240 
1 1 1 -32 10 18 o 75.37727 34.67770 -0.8235167     2.827945  0.8489894      3.492811  -4.006295      4.818306  91.95869 40.73538 83.08117 40.20522 8.877518       57.23487 
1 1 1 -32 10 19 o 173.1751 37.71323 9.049376       2.985152  11.38526       3.664176  4.439168       5.147676  189.6411 42.16617 117.7970 50.86331 71.84409       66.06862 
1 1 1 -32 10 20 o 217.2143 37.28577 14.35944       3.672574  16.69441       5.468615  12.44120       4.956651  204.5241 55.44868 174.3538 54.46290 30.17038       77.72234 
1 1 1 -32 10 21 o 70.26973 33.86127 -2.433477      3.330761  0.9393580      4.749653  -5.697093      4.672119  93.52920 43.68229 72.89973 36.13135 20.62947       56.68877 
1 1 1 -32 10 22 o 138.9527 48.00811 8.265674       3.815376  6.783592       5.875850  9.346115       5.016897  114.5568 51.63371 133.7667 53.21399 -19.20996      74.14694 
1 1 1 -32 10 23 o 136.5842 51.88183 10.08998       4.600092  3.611772       6.012424  19.23603       7.143954  97.16432 46.47712 155.2003 62.88807 -58.03601      78.19867 
1 1 1 -32 10 24 o 115.9256 52.87150 11.54578       6.385780  11.54578       6.385780  0.000000       0.000000  115.9256 52.87150 ?        ?        0.000000       52.87150 
1 1 1 -32 12 1  o 177.0943 32.95159 8.047105       2.644025  6.846017       6.041039  8.331705       2.940642  160.7508 59.79445 178.8594 36.19365 -18.10864      69.89532 
1 1 1 -32 12 2  o 283.7785 24.26959 19.73344       3.208584  18.30146       5.979640  20.31245       3.802332  256.5148 51.34729 285.7216 28.67724 -29.20682      58.81265 
1 1 1 -32 12 3  o 181.3538 33.19343 8.468492       2.727352  6.172509       5.353850  9.273125       3.169428  153.0110 56.41331 188.0834 37.14085 -35.07246      67.54187 
1 1 1 -32 12 4  o 140.8469 35.78680 5.231733       2.375847  3.693912       5.294594  5.619460       2.658537  134.4080 54.25267 145.2099 38.35076 -10.80194      66.43894 
1 1 1 -32 12 5  o 363.9961 19.55932 32.04659       3.336759  29.11295       5.272019  34.00714       4.309843  337.9658 33.60727 371.9430 24.77466 -33.97720      41.75203 
1 1 1 -32 12 6  o 335.9474 20.98584 27.46327       3.299791  22.63583       5.036509  31.09394       4.367820  294.6022 37.17064 354.1688 26.40694 -59.56659      45.59587 
1 1 1 -32 12 7  o 308.1117 20.55837 23.11941       2.962550  19.76637       4.538223  25.60940       3.910799  275.4201 35.88044 321.0542 26.12160 -45.63409      44.38180 
1 1 1 -32 12 8  o 245.2503 23.03903 14.84598       2.626771  12.21808       4.028567  16.78954       3.464539  211.2369 42.02127 257.4651 29.11782 -46.22824      51.12372 
1 1 1 -32 12 9  o 326.0179 18.48833 25.78076       2.823692  21.96082       3.757420  30.73722       4.280035  295.5387 27.33721 350.9310 26.11420 -55.39224      37.80575 
1 1 1 -32 12 10 o 166.4718 30.91058 7.234606       2.331454  9.654637       3.417538  5.127824       3.188693  187.2875 40.00676 135.5911 43.84397 51.69637       59.35347 
1 1 1 -32 12 11 o 296.0525 19.40837 21.41738       2.687924  20.15848       3.305124  23.87634       4.619214  283.7073 25.02184 302.4200 33.00639 -18.71277      41.41877 
1 1 1 -32 12 12 o 90.23151 33.71374 1.814886       1.924675  1.701611       2.237075  2.137634       3.776109  91.81035 35.83556 108.6678 45.05741 -16.85744      57.57046 
1 1 1 -32 12 13 o 139.2138 33.43687 5.272870       2.162184  6.973493       2.590697  1.369203       3.925084  159.3829 35.46844 103.7191 44.59897 55.66379       56.98314 
1 1 1 -32 12 14 o 70.63373 31.29509 -0.2184584     2.062485  -1.232792      2.278557  4.381689       4.852385  67.04121 30.94520 127.6768 51.79654 -60.63557      60.33645 
1 1 1 -32 12 15 o 234.1769 21.51331 13.74413       2.343349  16.24878       2.686758  5.781929       4.790396  253.8669 22.73943 135.7853 52.59454 118.0815       57.29980 
1 1 1 -32 12 16 o 172.4722 28.80658 7.937037       2.254683  9.040195       2.603923  4.632021       4.507088  182.2695 31.50998 124.8494 50.17456 57.42014       59.24833 
1 1 1 -32 12 17 o 94.96617 35.19014 2.339128       2.088404  1.805092       2.347417  4.366361       4.573583  90.62709 36.28461 120.7540 49.78584 -30.12691      61.60522 
1 1 1 -32 12 18 o 268.6987 21.71669 18.44947       2.721449  20.02943       3.185975  14.18525       5.234057  276.8387 24.72525 194.8382 54.80697 82.00046       60.12605 
1 1 1 -32 12 19 o 124.7497 52.21215 5.990961       5.138577  0.000000       0.000000  5.990961       5.138577  ?        ?        124.7497 52.21215 0.000000       52.21215 
1 1 1 -32 12 20 o 97.77235 41.91926 2.538748       3.449515  2.420333       4.644271  2.684458       5.151813  101.0496 45.69180 103.6782 47.36460 -2.628677      65.81144 
1 1 1 -32 12 21 o 106.8376 44.47176 4.203304       3.699168  5.410226       5.133897  2.900119       5.334708  112.2660 49.57558 101.0786 46.89943 11.18739       68.24438 
1 1 1 -32 12 22 o 208.1129 43.01372 15.70431       4.071712  17.31867       6.388071  14.59966       5.284241  164.0031 61.39233 166.0000 56.52676 -1.996887      83.45234 
1 1 1 -32 12 23 o 122.6755 51.00613 9.196619       4.858180  18.01427       6.650126  -0.8950655     7.114350  150.0356 60.71743 86.27924 43.05866 63.75633       74.43557 
1 1 1 -32 14 1  o 93.19872 36.91207 1.450886       2.404071  -5.787753      6.452145  2.617843       2.590616  102.1531 48.66390 107.5656 39.30458 -5.412529      62.55418 
1 1 1 -32 14 2  o 236.1455 25.03673 13.77127       2.738743  13.90425       5.569507  13.72886       3.145295  219.6984 54.22152 233.8136 29.23620 -14.11516      61.60137 
1 1 1 -32 14 3  o 291.6219 20.65779 20.65628       2.815488  17.72568       6.049610  21.46654       3.180982  249.2233 53.22061 296.2006 23.01061 -46.97731      57.98207 
1 1 1 -32 14 4  o 185.4654 28.31328 8.690265       2.391848  10.91963       5.100440  8.061788       2.708085  193.3613 54.00142 175.9709 33.94545 17.39038       63.78437 
1 1 1 -32 14 5  o 118.4455 36.86966 3.658760       2.273802  3.015211       4.478365  3.882283       2.639302  123.6432 49.89997 122.0960 39.91530 1.547272       63.90023 
1 1 1 -32 14 6  o 157.7720 34.93401 6.584989       2.524243  3.360117       4.294112  8.287753       3.120285  124.5997 49.33749 175.4404 38.83533 -50.84066      62.78830 
1 1 1 -32 14 7  o 192.9038 31.33103 9.595240       2.745500  9.413883       4.265240  9.723544       3.587553  180.6270 48.96910 188.3121 41.60836 -7.685104      64.25907 
1 1 1 -32 14 8  o 289.5678 22.01771 20.59801       2.976638  17.52197       4.312212  23.39774       4.113984  257.6097 36.61565 304.0387 29.12126 -46.42902      46.78412 
1 1 1 -32 14 9  o 270.9221 22.72608 18.13372       2.869507  15.54420       3.932690  21.08205       4.196317  242.6128 35.51059 286.0431 31.72069 -43.43031      47.61517 
1 1 1 -32 14 10 o 349.8513 18.70080 29.77719       3.066460  27.67863       3.778049  33.82878       5.249515  333.5212 24.24691 362.7081 31.06735 -29.18686      39.40931 
1 1 1 -32 14 11 o 191.1755 27.81128 9.384205       2.427728  8.608769       3.005085  10.84126       4.119287  177.3565 37.20705 192.7636 46.05798 -15.40706      59.20897 
1 1 1 -32 14 12 o 159.8884 29.30835 6.702960       2.123101  7.595465       2.511000  4.464923       3.976263  168.3329 32.89027 127.6833 48.29944 40.64954       58.43463 
1 1 1 -32 14 13 o 238.4108 22.19333 14.21092       2.460368  14.06835       2.857565  14.61950       4.837512  234.4204 26.37169 219.8261 48.11679 14.59431       54.86977 
1 1 1 -32 14 14 o 291.4325 21.73330 21.23228       2.958002  21.23228       2.958002  0.000000       0.000000  291.4325 21.73330 ?        ?        0.000000       21.73330 
1 1 1 -32 14 15 o 192.7818 33.42579 10.22014       2.921351  5.554738       3.369678  24.33710       5.861575  133.9822 45.14188 283.6571 45.46464 -149.6749      64.06889 
1 1 1 -32 14 16 o 167.4565 28.85543 7.547234       2.190941  7.794830       2.467391  6.624326       4.763711  167.5121 32.48522 137.9358 52.70009 29.57634       61.90791 
1 1 1 -32 14 17 o 203.1573 28.29584 11.12151       2.630696  12.92634       3.101513  6.493384       4.966577  216.1732 31.42007 133.3272 52.97567 82.84596       61.59255 
1 1 1 -32 14 18 o 258.3932 29.40538 18.36098       3.510526  16.42985       4.663517  20.88617       5.332788  222.7102 46.03610 250.3372 47.01191 -27.62698      65.79850 
1 1 1 -32 14 19 o 233.9568 37.49571 16.78223       3.987177  16.42985       5.598260  17.14499       5.680069  197.5344 57.05315 202.2932 57.16129 -4.758789      80.76184 
1 1 1 -32 14 20 o 112.7167 50.53087 5.246769       5.542940  0.000000       0.000000  5.246769       5.542940  ?        ?        112.7167 50.53087 0.000000       50.53087 
1 1 1 -32 14 21 o 222.5019 43.33310 17.67012       4.372374  30.38050       6.808065  8.747095       5.704274  261.7813 56.90963 123.6073 53.45703 138.1740       78.07919 
1 1 1 -32 14 22 o 69.92997 34.79816 -4.614255      4.508114  -3.495839      5.664877  -6.545779      7.444557  78.55070 39.07504 80.51944 40.68365 -1.968735      56.40938 
1 1 1 -32 16 1  o 177.0852 28.51168 7.923509       2.294437  4.120095       6.084228  8.554083       2.477345  141.2764 57.73737 183.6261 29.69378 -42.34964      64.92554 
1 1 1 -32 16 2  o 115.7308 35.15963 3.465030       2.083006  3.712842       5.726506  3.427242       2.236192  136.5275 55.93040 115.5081 36.65010 21.01945       66.86882 
1 1 1 -32 16 3  o 464.4524 16.68993 51.70192       3.646407  37.83148       6.222624  58.95568       4.499976  384.2945 34.79982 494.3788 19.35000 -110.0844      39.81771 
1 1 1 -32 16 4  o 190.5630 31.40223 9.322446       2.716866  6.202674       4.991049  10.63615       3.238760  150.4283 54.61786 201.6551 35.43614 -51.22681      65.10630 
1 1 1 -32 16 5  o 246.9614 23.83080 15.06316       2.734076  14.21812       4.576632  15.53211       3.409310  227.3550 44.38571 247.5462 29.88248 -20.19116      53.50751 
1 1 1 -32 16 6  o 293.4073 22.31439 21.12951       3.056736  12.45771       4.395511  29.25089       4.253730  210.9900 45.61627 342.5852 26.60430 -131.5952      52.80751 
1 1 1 -32 16 7  o 124.3806 38.57975 4.146708       2.492120  3.956039       4.154717  4.253865       3.114652  127.5082 49.09436 126.5182 43.39524 0.9900436      65.52406 
1 1 1 -32 16 8  o 165.6110 35.68505 7.361393       2.697988  7.813377       3.970953  6.973841       3.677038  163.5926 48.28263 155.6257 46.58791 7.966858       67.09431 
1 1 1 -32 16 9  o 82.34423 35.41685 0.3466810      2.476378  -1.661522      3.620548  2.112069       3.394615  84.74321 39.07816 106.4706 43.27573 -21.72739      58.30859 
1 1 1 -32 16 10 o 250.5352 22.94788 15.62289       2.674412  15.69308       3.260615  15.47860       4.675117  247.5026 28.52822 233.3207 44.21450 14.18188       52.61921 
1 1 1 -32 16 11 o 101.2121 36.78663 2.521923       2.264988  3.503855       2.685139  0.9982164E-01  4.217180  114.6252 40.23620 99.08614 44.27215 15.53909       59.82453 
1 1 1 -32 16 12 o 90.98208 34.74522 1.827739       2.070096  3.323809       2.372284  -2.947978      4.238480  110.9944 37.87406 84.68922 40.08134 26.30515       55.14488 
1 1 1 -32 16 13 o 222.3143 28.18007 12.89093       2.880836  12.89093       2.880836  0.000000       0.000000  222.3143 28.18007 ?        ?        0.000000       28.18007 
1 1 1 -32 16 14 o 154.8386 33.24137 6.643443       2.348807  7.640147       2.659478  3.109394       5.007827  164.7630 35.37109 117.2533 50.39617 47.50974       61.57019 
1 1 1 -32 16 15 o 206.6946 24.71611 11.06539       2.355473  9.284798       2.551521  21.33472       6.127572  184.9823 30.37716 251.3271 53.47309 -66.34471      61.49913 
1 1 1 -32 16 16 o 357.9912 17.69947 31.69710       2.980588  34.39434       3.298064  19.67598       6.962610  371.1907 18.95144 216.6483 63.93146 154.5424       66.68124 
1 1 1 -32 16 17 o 100.2048 38.50488 2.821252       2.552185  2.957294       2.776689  2.080559       6.479016  102.1948 39.91452 110.1208 51.29268 -7.926003      64.99313 
1 1 1 -32 16 18 o 99.08174 41.80437 2.611297       3.336942  3.359097       4.606729  1.785771       4.840220  107.3523 47.20175 100.2763 45.84914 7.075966       65.80386 
1 1 1 -32 16 19 o 72.98329 35.25182 -2.567914      3.662427  1.598989       5.172960  -6.755808      5.185973  97.69170 45.61325 74.50062 37.11304 23.19109       58.80431 
1 1 1 -32 16 20 o 149.9019 56.50016 12.18529       5.428663  0.000000       0.000000  12.18529       5.428663  ?        ?        149.9019 56.50016 0.000000       56.50016 
1 1 1 -32 18 1  o 168.8778 29.15788 7.265984       2.232586  8.629608       6.262177  7.067420       2.389612  170.8582 61.29437 165.3337 31.88093 5.524551       69.08975 
1 1 1 -32 18 2  o 110.7572 50.24584 -1.012188      5.670403  -1.012188      5.670403  0.000000       0.000000  110.7572 50.24584 ?        ?        0.000000       50.24584 
1 1 1 -32 18 3  o 187.8204 27.56000 8.909031       2.362529  11.54043       4.907124  8.115053       2.695491  199.0690 51.87751 176.2071 33.74849 22.86195       61.88891 
1 1 1 -32 18 4  o 295.4798 22.82813 21.45922       3.148374  23.97183       5.447731  20.19917       3.857872  300.2615 39.53070 282.6594 29.44681 17.60211       49.29291 
1 1 1 -32 18 5  o 138.7601 37.54469 5.209601       2.510157  3.435246       4.200772  6.195006       3.130518  123.7943 48.86807 149.3071 42.52221 -25.51285      64.77829 
1 1 1 -32 18 6  o 105.8591 37.90119 2.724956       2.393239  3.276254       3.881202  2.386742       3.039967  120.1628 47.11884 106.7891 41.74876 13.37363       62.95351 
1 1 1 -32 18 7  o 146.1124 37.53997 5.839759       2.593977  6.692319       3.924562  5.178360       3.456692  151.5593 48.60236 136.1154 45.72170 15.44395       66.72828 
1 1 1 -32 18 8  o 206.2633 31.31465 11.09094       2.942869  8.866511       4.397360  12.89536       3.960523  171.0103 50.89145 216.1164 40.44452 -45.10609      65.00538 
1 1 1 -32 18 9  o 205.2204 28.08587 10.82547       2.640146  4.481085       3.424078  20.12782       4.146150  127.3443 45.36223 277.1661 32.41278 -149.8218      55.75231 
1 1 1 -32 18 10 o 124.0782 38.30779 4.289024       2.460340  3.638040       3.116640  5.365637       4.008032  117.1787 43.06609 135.4578 48.98090 -18.27912      65.22129 
1 1 1 -32 18 11 f 293.5440 21.98926 21.48928       3.014299  20.90118       3.580932  22.91915       5.583629  285.4562 26.98794 281.7857 43.52638 3.670532       51.21420 
1 1 1 -32 18 12 o 89.43824 36.06417 1.523419       2.337019  3.357484       2.725063  -3.576100      4.543952  111.2581 40.36357 84.66581 40.47262 26.59225       57.15987 
1 1 1 -32 18 13 o 187.9113 34.21966 9.795060       2.913367  9.795060       2.913367  0.000000       0.000000  187.9113 34.21966 ?        ?        0.000000       34.21966 
1 1 1 -32 18 14 o 86.88685 35.67785 1.409931       2.337002  0.7588561      2.533228  5.130797       6.055931  83.16655 35.79604 128.1580 55.25300 -44.99149      65.83502 
1 1 1 -32 18 15 o 274.6981 21.72645 19.22802       2.784550  19.30299       3.021235  18.80500       7.176691  273.2287 23.74259 205.7261 65.69782 67.50253       69.85638 
1 1 1 -32 18 16 o 88.76297 35.77763 1.831152       2.299037  2.389997       2.442354  -2.515755      6.811660  95.26373 37.37108 97.96110 47.50433 -2.697365      60.44219 
1 1 1 -32 18 17 o 111.4579 42.71914 4.102883       3.136388  5.313546       3.601726  0.3046968      6.379506  121.5382 45.97001 100.9323 48.16693 20.60599       66.58299 
1 1 1 -32 18 18 o 339.2185 26.31198 31.52849       4.165727  37.18692       4.993425  18.57610       7.554848  361.8784 29.59259 171.5312 66.15816 190.3472       72.47498 
1 1 1 -32 20 1  f 226.6123 25.23756 12.79833       2.644597  0.000000       0.000000  12.79833       2.644597  ?        ?        226.6123 25.23756 0.000000       25.23756 
1 1 1 -32 20 2  o 134.0218 34.85351 4.793823       2.217956  -4.551130      6.052166  6.243579       2.383800  100.1171 47.53172 153.5883 33.90203 -53.47121      58.38332 
1 1 1 -32 20 3  o 65.50623 30.63062 -1.881743      2.346636  5.659438       4.607030  -4.523742      2.726891  143.0331 52.39177 60.07612 29.33830 82.95699       60.04692 
1 1 1 -32 20 4  o 134.6019 43.01958 5.007622       3.076715  1.891796       7.367100  5.665874       3.386149  132.0396 58.79020 141.8797 45.10843 -9.840088      74.10167 
1 1 1 -32 20 5  o 214.5385 28.90908 11.78252       2.843207  11.20190       4.378902  12.20571       3.738429  195.9958 47.90037 211.8398 38.95095 -15.84407      61.73833 
1 1 1 -32 20 6  o 175.3444 35.60192 8.290886       2.836266  6.146664       3.564449  11.99168       4.682791  145.7045 46.27617 200.4348 49.86881 -54.73026      68.03221 
1 1 1 -32 20 7  o 68.79153 32.13807 -1.860190      2.573894  -2.394170      3.453142  -1.192628      3.860981  78.69364 36.91130 89.30292 40.87511 -10.60928      55.07466 
1 1 1 -32 20 8  o 248.7552 28.13223 15.90288       3.234037  13.00141       4.354790  19.47087       4.829141  211.1873 45.20108 264.9220 39.99646 -53.73470      60.35606 
1 1 1 -32 20 9  o 111.1004 43.66541 2.956113       3.340226  2.956113       3.340226  0.000000       0.000000  111.1004 43.66541 ?        ?        0.000000       43.66541 
1 1 1 -32 20 10 o 129.8458 39.78393 4.867186       2.659374  4.095223       3.161267  6.736029       4.918692  120.4794 43.51016 144.2676 53.89714 -23.78823      69.26785 
1 1 1 -32 20 11 o 159.7835 37.28271 7.295655       2.751044  9.105341       3.220620  2.411415       5.290983  177.0801 39.65025 115.3328 50.65123 61.74735       64.32487 
1 1 1 -32 20 12 o 76.22052 34.65141 -0.6032946     2.715157  -0.6032946     2.715157  0.000000       0.000000  76.22052 34.65141 ?        ?        0.000000       34.65141 
1 1 1 -32 20 13 o 258.6416 25.70795 17.46115       3.086329  17.42657       3.496229  17.58323       6.569098  254.2245 29.80106 209.6278 62.16015 44.59671       68.93466 
1 1 1 -32 20 14 o 84.91653 36.20967 1.097631       2.548684  -0.8465074     2.790971  10.85910       6.253876  74.36430 34.29845 156.6500 60.25562 -82.28574      69.33342 
1 1 1 -32 20 15 o 62.92970 29.84854 -1.816353      2.375822  -0.1403212     2.592730  -10.59453      5.933600  75.40509 34.11387 75.73418 38.01575 -0.3290939     51.07792 
1 1 1 -32 20 16 o 145.9604 37.91529 6.741961       2.626701  5.612995       2.846418  13.21938       6.818035  128.9191 41.39670 155.5996 61.99234 -26.68051      74.54352 
1 1 1 -32 22 1  o 123.7527 38.88599 4.147173       2.522627  0.000000       0.000000  4.147173       2.522627  ?        ?        123.7527 38.88599 0.000000       38.88599 
1 1 1 -32 22 2  o 159.3074 37.13679 6.928467       2.731622  0.000000       0.000000  6.928467       2.731622  ?        ?        159.3074 37.13679 0.000000       37.13679 
1 1 1 -32 22 3  o 106.5523 39.82207 2.701172       2.685630  -4.176576      6.185473  4.298935       2.981302  100.6038 47.84750 125.3753 42.45975 -24.77149      63.97041 
1 1 1 -32 22 4  o 293.1137 23.16659 21.37297       3.168208  16.73871       3.807300  31.80737       5.712957  252.4099 32.84376 345.8295 35.62803 -93.41956      48.45687 
1 1 1 -32 22 5  o 136.5881 39.54041 5.255928       2.686158  4.502995       3.376158  6.554698       4.434152  127.1517 45.07032 146.8978 51.69643 -19.74607      68.58466 
1 1 1 -32 22 6  o 238.4766 28.02013 14.64392       3.083385  9.412526       3.732954  25.87693       5.470058  178.8913 44.53389 306.6314 38.79095 -127.7401      59.05934 
1 1 1 -32 22 7  o 104.4121 42.34468 2.267462       3.241905  2.790671       4.434942  1.667063       4.750834  115.6058 48.45356 110.7213 48.32616 4.884521       68.43365 
1 1 1 -32 22 8  o 111.7558 40.44353 3.369034       2.733410  0.9723993      3.284414  8.769323       4.930212  94.22549 40.65694 161.2727 54.60191 -67.04723      68.07610 
1 1 1 -32 22 9  o 167.7443 37.93672 8.056389       2.923357  10.06198       3.461772  3.070749       5.458047  185.5540 40.77367 119.6772 52.02338 65.87680       66.09784 
1 1 1 -32 22 10 o 85.24756 36.33601 0.8971062      2.564605  1.106011       2.978271  0.2978597      5.044203  90.97659 38.97673 102.6561 46.88586 -11.67953      60.97105 
1 1 1 -32 22 11 o 297.5584 23.88546 22.71645       3.315122  26.68482       3.747463  8.433414       7.109542  321.3786 24.98493 144.7401 61.04131 176.6385       65.95672 
1 1 1 -32 22 12 o 236.8369 44.87362 17.66860       4.816303  17.66860       4.816303  0.000000       0.000000  236.8369 44.87362 ?        ?        0.000000       44.87362 
1 1 1 -32 24 1  o 190.2710 31.08772 9.527663       2.686363  4.955410       5.771135  10.79238       3.035243  136.3965 56.04364 201.2962 33.21294 -64.89972      65.14590 
1 1 1 -32 24 2  o 143.9453 41.75751 5.975649       2.993033  0.000000       0.000000  5.975649       2.993033  ?        ?        143.9453 41.75751 0.000000       41.75751 
1 1 1 -32 24 3  o 147.6129 42.86167 6.379099       3.152086  0.9506541      5.913568  8.533516       3.725434  115.0865 51.84263 168.7510 45.77231 -53.66444      69.15752 
1 1 1 -32 24 4  o 143.6049 47.87840 6.302857       3.790585  9.016053       6.073802  4.571939       4.851302  160.6703 59.91845 129.2765 52.01947 31.39375       79.34888 
1 1 1 -32 24 5  o 155.4447 43.38565 7.217622       3.293278  7.328971       4.319390  7.063021       5.089615  151.0722 51.10789 146.8446 54.83235 4.227661       74.95734 
1 1 1 -32 24 6  o 88.44870 38.27184 0.7073420      2.926885  4.378372       3.485754  -8.067777      5.389261  123.1280 45.49560 80.29968 39.61654 42.82827       60.32677 
1 1 1 -31 1  1  o 366.8180 27.35894 32.56681       4.686880  30.11296       7.140957  34.42385       6.212173  344.4685 45.15713 373.5313 35.79297 -29.06277      57.62207 
1 1 1 -31 1  2  o 335.8700 30.29468 27.53043       4.734859  21.35553       6.467826  34.66112       6.950390  286.7333 49.75678 372.2621 40.33613 -85.52887      64.05264 
1 1 1 -31 1  3  o 560.9545 23.49278 75.40310       6.199138  80.05351       9.153219  71.46255       8.425709  571.2116 34.22259 540.1729 33.32191 31.03870       47.76542 
1 1 1 -31 1  4  o 240.5824 38.94792 14.65177       4.257097  12.30083       5.936640  17.14031       6.107903  212.4848 57.84203 253.8236 52.87206 -41.33879      78.36552 
1 1 1 -31 1  5  o 105.8337 45.35710 0.3675280      4.035568  4.839477       5.630959  -4.354936      5.786530  149.9612 57.29622 103.2834 48.23027 46.67786       74.89336 
1 1 1 -31 1  6  o 400.4242 17.22982 38.16398       3.245417  36.15727       4.887080  39.74711       4.340762  385.5334 27.12019 406.2424 22.80718 -20.70908      35.43547 
1 1 1 -31 1  7  o 185.3897 28.85130 8.549808       2.434233  8.189444       3.410212  8.924162       3.475774  176.8382 41.67759 184.9813 41.01954 -8.143143      58.47755 
1 1 1 -31 1  8  o 608.8654 16.90989 88.36731       4.843187  83.46630       6.517414  94.41142       7.237671  588.0742 23.55992 624.7061 24.62940 -36.63196      34.08339 
1 1 1 -31 1  9  o 139.8194 34.08392 5.052507       2.221411  3.180283       3.265723  6.664785       3.030541  119.3104 44.04598 158.8378 40.45053 -39.52743      59.80213 
1 1 1 -31 1  10 o 497.7536 15.31621 59.04457       3.586203  60.53057       5.117928  57.61113       5.026618  500.6758 21.73043 488.3646 21.88076 12.31122       30.83795 
1 1 1 -31 1  11 o 306.5824 18.54208 22.65786       2.661504  18.35556       3.617971  27.73199       3.929121  271.1472 28.80671 336.0495 25.03510 -64.90228      38.16520 
1 1 1 -31 1  12 o 256.3299 20.23853 15.98224       2.420474  14.21111       3.447473  17.70410       3.399171  235.9696 31.87378 266.2537 27.53784 -30.28409      42.12209 
1 1 1 -31 1  14 o 473.7662 17.81421 54.23886       3.970087  53.29965       5.623056  55.17242       5.606084  462.1639 25.96993 470.8096 25.40714 -8.645721      36.33126 
1 1 1 -31 1  15 o 244.7497 23.24638 14.93180       2.644247  10.89557       3.534160  20.06461       3.985439  198.7509 39.19416 278.2773 30.97134 -79.52638      49.95405 
1 1 1 -31 1  16 o 410.3859 17.12374 40.85102       3.305677  37.74327       4.447851  44.68575       4.940773  387.7265 24.51302 421.4156 25.03633 -33.68909      35.03863 
1 1 1 -31 1  17 o 596.6923 14.96846 85.94640       4.201427  92.48794       5.968151  79.51949       5.915628  611.8104 20.73737 565.2484 22.24806 46.56201       30.41405 
1 1 1 -31 1  18 o 183.2186 31.55244 9.057299       2.621263  9.920113       3.276723  7.523782       4.368430  186.1697 38.67987 151.0144 51.39569 35.15529       64.32456 
1 1 1 -31 1  19 o 251.8511 25.71853 16.42195       3.004155  11.48335       4.848938  19.49849       3.827154  182.5031 53.20955 269.5493 30.73287 -87.04625      61.44725 
1 1 1 -31 1  20 o 134.0840 35.76812 5.247735       2.297658  6.025290       3.155911  4.370721       3.351676  137.6793 43.52400 119.4160 44.51495 18.26328       62.25688 
1 1 1 -31 1  21 o 259.2555 21.24405 17.13607       2.568053  23.05108       3.705168  11.66757       3.562577  294.0441 27.09183 195.4590 40.09216 98.58511       48.38749 
1 1 1 -31 1  22 o 476.6167 15.37174 55.92220       3.446368  53.77527       4.764325  58.27867       4.991401  456.4846 22.18738 474.9190 22.34259 -18.43448      31.48763 
1 1 1 -31 1  23 o 113.1913 47.35247 4.744601       4.223763  -1.993460      5.551777  14.00416       6.508183  88.65203 42.96534 159.2196 61.40596 -70.56753      74.94473 
1 1 1 -31 1  24 o 164.7477 56.08407 13.38561       5.201783  3.549346       7.199945  24.12604       7.523587  104.2606 50.12933 197.4573 67.44794 -93.19678      84.03675 
1 1 1 -31 1  25 o 142.9634 62.48960 18.79013       7.969433  0.000000       0.000000  18.79013       7.969433  ?        ?        142.9634 62.48960 0.000000       62.48960 
1 1 1 -31 1  26 o 92.22999 45.24767 3.632581       6.714107  3.632581       6.714107  0.000000       0.000000  92.22999 45.24767 ?        ?        0.000000       45.24767 
1 1 1 -31 3  1  o 705.9023 32.95645 121.3734       10.94345  121.3734       10.94345  0.000000       0.000000  705.9023 32.95645 ?        ?        0.000000       32.95645 
1 1 1 -31 3  2  o 77.49432 36.76608 -4.032062      3.609079  0.2694412      5.730055  -6.860657      4.646586  123.4560 53.48444 81.82244 39.56752 41.63356       66.52950 
1 1 1 -31 3  3  o 508.8353 23.59918 62.08729       5.648635  56.12367       7.961155  68.13318       8.015878  476.7421 35.76013 527.6674 32.45129 -50.92535      48.28947 
1 1 1 -31 3  4  o 225.6880 43.20649 13.14820       4.419913  10.93936       6.421482  15.13674       6.092859  199.7886 61.92210 236.4743 55.69242 -36.68571      83.28261 
1 1 1 -31 3  5  o 316.2052 28.50360 24.43603       4.194153  21.67987       5.402325  28.61772       6.654335  292.2644 40.37283 334.6817 43.28111 -42.41724      59.18800 
1 1 1 -31 3  6  o 345.6272 19.44894 28.62327       3.149229  28.91943       5.183598  28.45000       3.964830  341.8347 32.63274 342.6371 24.76600 -0.8023987     40.96645 
1 1 1 -31 3  7  o 277.5195 22.18415 18.62189       2.871839  17.00714       3.782176  20.82045       4.413253  261.6087 31.35905 288.9623 33.06256 -27.35367      45.56888 
1 1 1 -31 3  8  o 263.5778 20.52575 16.76671       2.524871  18.31311       3.602351  15.27349       3.539881  272.4227 28.53423 247.4560 31.09713 24.96672       42.20467 
1 1 1 -31 3  9  o 470.8778 16.10514 52.86333       3.567320  54.50967       5.363085  51.55692       4.777452  473.6238 24.15222 462.3477 21.96637 11.27612       32.64737 
1 1 1 -31 3  10 o 379.4618 16.49441 34.40000       2.944246  32.65002       4.114929  36.23565       4.214439  365.8016 24.04775 385.8403 23.32974 -20.03870      33.50479 
1 1 1 -31 3  11 o 321.5104 17.42428 24.85200       2.625395  23.77823       3.621689  26.04115       3.811303  310.9442 24.97113 325.4141 25.09187 -14.46991      35.39999 
1 1 1 -31 3  12 o 381.0450 16.09499 34.77706       2.884938  33.57743       3.905758  36.21737       4.279668  370.6317 22.50891 384.1235 23.80205 -13.49176      32.75956 
1 1 1 -31 3  13 f 436.6424 16.90137 45.85296       3.471501  42.18193       4.870160  49.64488       4.949694  412.6165 25.21252 449.2085 23.50570 -36.59201      34.47012 
1 1 1 -31 3  14 o 415.6033 17.07888 41.66671       3.338933  44.34229       4.435782  38.16885       5.071802  424.5204 22.29073 388.9552 27.90548 35.56522       35.71544 
1 1 1 -31 3  15 o 93.37747 35.54521 1.892717       2.162128  3.304249       2.836639  -0.6433198E-01 3.340101  113.4998 41.18089 89.75389 39.79309 23.74589       57.26566 
1 1 1 -31 3  16 o 158.4367 31.38216 6.696164       2.256161  7.465763       2.838811  5.376525       3.717336  163.5160 37.68094 135.3259 47.35130 28.19012       60.51445 
1 1 1 -31 3  17 o 153.3272 42.15900 6.934514       3.135329  6.934514       3.135329  0.000000       0.000000  153.3272 42.15900 ?        ?        0.000000       42.15900 
1 1 1 -31 3  18 o 117.3810 42.10449 3.911170       2.954800  3.911170       2.954800  0.000000       0.000000  117.3810 42.10449 ?        ?        0.000000       42.10449 
1 1 1 -31 3  19 o 100.0983 38.78099 2.486134       2.605004  2.975625       4.015194  2.130328       3.423265  111.2151 46.31644 101.9093 42.63103 9.305801       62.94932 
1 1 1 -31 3  20 o 232.2445 21.98868 13.73816       2.373621  15.26957       3.179523  11.81024       3.567489  238.5932 28.92007 199.4989 39.41268 39.09431       48.88486 
1 1 1 -31 3  21 o 263.9259 21.41367 17.79029       2.635614  15.59631       3.401996  21.08399       4.168314  236.9198 31.29119 273.3769 33.08739 -36.45708      45.54025 
1 1 1 -31 3  22 o 372.8073 43.35232 44.94650       7.460706  44.94650       7.460706  0.000000       0.000000  372.8073 43.35232 ?        ?        0.000000       43.35232 
1 1 1 -31 3  23 o 71.19212 32.97178 -0.6011981     2.619022  -1.218787      5.149639  -0.3857189     3.041793  88.49390 42.50948 76.72096 35.53278 11.77294       55.40429 
1 1 1 -31 3  24 f 111.4926 48.65599 5.471674       4.814399  -0.3052914     6.271605  13.76041       7.512298  92.30000 44.94622 137.1315 60.28639 -44.83147      75.19715 
1 1 1 -31 3  25 o 115.4637 49.69012 7.350892       4.879989  -0.1043401E-03 6.636509  16.00476       7.200649  89.47352 44.10852 138.6131 60.00354 -49.13955      74.47138 
1 1 1 -31 3  26 o 95.05346 46.98304 5.472652       7.705586  5.472652       7.705586  0.000000       0.000000  95.05346 46.98304 ?        ?        0.000000       46.98304 
1 1 1 -31 5  1  o 198.3958 47.18534 10.32703       4.339371  5.505352       6.185425  15.00000       6.089297  158.3936 60.16243 236.0159 55.73775 -77.62231      82.01350 
1 1 1 -31 5  2  o 134.0731 47.24135 4.198703       3.703935  6.162307       6.169165  3.091901       4.631635  162.6347 60.43904 130.9523 51.43398 31.68243       79.36204 
1 1 1 -31 5  3  o 225.6931 41.64139 13.07830       4.258049  15.76992       6.360069  10.89180       5.732319  240.6710 57.04822 199.9532 57.72655 40.71783       81.15944 
1 1 1 -31 5  4  o 211.8086 42.01375 11.59950       4.038240  8.816885       5.789506  14.23603       5.635476  181.3546 59.10915 229.8139 53.18323 -48.45934      79.51318 
1 1 1 -31 5  5  o 340.2087 20.57208 27.79199       3.276767  29.13022       5.757086  27.15071       3.985274  341.1165 36.44215 334.4092 25.52724 6.707275       44.49349 
1 1 1 -31 5  6  o 236.5623 28.51146 13.80340       3.108808  13.14755       4.748241  14.29548       4.112918  222.6109 46.82774 236.6385 38.25354 -14.02760      60.46627 
1 1 1 -31 5  7  o 351.6259 18.64777 29.63475       3.073421  23.72540       4.318181  35.70155       4.375329  309.8489 30.00233 383.5697 24.37572 -73.72083      38.65638 
1 1 1 -31 5  8  o 335.4145 17.80692 26.95899       2.799505  26.00340       3.869667  28.00833       4.055031  326.3002 25.41120 338.5948 25.64962 -12.29453      36.10585 
1 1 1 -31 5  9  o 312.4964 18.30636 23.46959       2.679274  21.64881       3.647436  25.60345       3.948586  296.6766 26.41201 322.9055 26.22191 -26.22891      37.21804 
1 1 1 -31 5  10 o 412.9168 16.26176 40.74488       3.158635  40.78773       4.494065  40.70306       4.440387  409.0611 23.45301 408.7967 23.18653 0.2644653      32.97967 
1 1 1 -31 5  12 o 238.1734 30.25258 14.41895       3.312958  -0.5621285     8.101934  17.42683       3.630341  129.5534 59.26635 262.2884 29.96144 -132.7350      66.40925 
1 1 1 -31 5  13 o 176.1591 28.55249 7.940988       2.285034  5.576695       3.048784  10.97137       3.451632  141.7392 42.41956 202.2648 37.66321 -60.52551      56.72686 
1 1 1 -31 5  14 o 228.0997 22.63966 12.91183       2.397113  16.15914       3.138480  8.365068       3.713720  252.8817 26.79156 170.0640 45.52145 82.81770       52.82035 
1 1 1 -31 5  15 o 87.02319 35.17458 1.259247       2.228918  2.171351       2.697847  -0.7021404     3.956188  100.6560 39.33540 92.67883 42.01500 7.977173       57.55462 
1 1 1 -31 5  16 o 113.7470 36.19991 3.530452       2.180335  4.940866       2.698185  0.8764547      3.701252  131.7068 40.01675 98.35711 42.79815 33.34971       58.59200 
1 1 1 -31 5  17 o 135.8130 37.21090 5.234007       2.447622  5.542023       2.924122  4.513093       4.473535  137.3855 41.63986 127.0011 50.33573 10.38438       65.32659 
1 1 1 -31 5  18 o 180.7568 31.23731 8.811949       2.559988  12.60007       3.150877  1.455091       4.391021  216.1497 31.95204 105.0926 46.14869 111.0571       56.13052 
1 1 1 -31 5  19 o 260.0465 21.67785 17.06698       2.627610  21.72691       3.370838  9.850265       4.194868  290.5161 24.90682 172.6021 49.24589 117.9140       55.18611 
1 1 1 -31 5  20 o 500.4597 17.20533 61.69046       4.050433  54.51844       5.980908  67.76651       5.504995  453.0008 28.20712 516.0162 22.67902 -63.01538      36.19364 
1 1 1 -31 5  21 o 178.8538 27.92202 8.689915       2.272410  8.850101       3.014695  8.479144       3.458087  170.5538 38.49002 159.9976 44.38772 10.55629       58.75161 
1 1 1 -31 5  22 o 268.3194 27.76517 19.70490       3.453763  21.15636       6.377312  19.10251       4.108418  224.9366 59.39361 253.7487 35.38192 -28.81212      69.13380 
1 1 1 -31 5  23 o 116.2622 42.26686 4.807988       2.990358  3.989299       5.908835  5.089864       3.467141  108.4616 49.98275 116.7230 44.87282 -8.261398      67.17027 
1 1 1 -31 5  24 o 76.73380 37.52567 -2.845160      4.507911  -1.207194      6.063524  -4.869204      6.740353  88.73245 43.42051 84.05788 41.94386 4.674576       60.37076 
1 1 1 -31 5  25 o 81.25220 40.80975 -4.667063      6.890719  -4.667063      6.890719  0.000000       0.000000  81.25220 40.80975 ?        ?        0.000000       40.80975 
1 1 1 -31 5  26 o 109.9146 52.17978 12.05113       7.291377  12.05113       7.291377  0.000000       0.000000  109.9146 52.17978 ?        ?        0.000000       52.17978 
1 1 1 -31 5  27 o 76.84590 38.81112 -1.271106      6.733028  -1.271106      6.733028  0.000000       0.000000  76.84590 38.81112 ?        ?        0.000000       38.81112 
1 1 1 -31 7  1  o 392.2542 23.51718 37.06531       4.319300  35.80340       6.503523  38.06121       5.777544  379.0289 36.94571 393.8979 31.44304 -14.86905      48.51443 
1 1 1 -31 7  2  o 164.5182 43.41282 7.072971       3.408573  4.962966       5.544126  8.355196       4.321888  150.1578 56.97653 177.2292 49.78485 -27.07147      75.66278 
1 1 1 -31 7  3  o 275.9174 32.58265 18.89153       4.147366  13.50851       5.654237  25.16052       6.101825  222.7753 54.42174 313.6959 42.44017 -90.92056      69.01372 
1 1 1 -31 7  4  o 313.8807 30.86985 24.30356       4.498984  18.91030       6.056148  30.94530       6.720660  266.5905 50.13302 348.1522 41.87682 -81.56174      65.32218 
1 1 1 -31 7  5  o 274.2229 27.13015 18.42420       3.453747  16.18906       10.41687  18.70025       3.660815  229.0920 79.31587 275.6638 28.64968 -46.57182      84.33156 
1 1 1 -31 7  6  o 174.5276 33.23924 7.751763       2.629220  12.38821       5.189197  6.150417       3.049649  212.4038 52.28697 152.9392 41.38390 59.46463       66.68250 
1 1 1 -31 7  7  o 328.1695 20.28140 25.94970       3.115527  22.56233       5.076505  27.99644       3.946065  297.7486 37.04580 338.8867 24.92872 -41.13812      44.65235 
1 1 1 -31 7  8  f 185.5671 41.00197 9.123656       3.483737  9.123656       3.483737  0.000000       0.000000  185.5671 41.00197 ?        ?        0.000000       41.00197 
1 1 1 -31 7  9  f 377.4289 16.85815 34.07004       2.993054  37.83412       4.212342  30.23187       4.253594  394.4356 22.79997 350.7253 25.96671 43.71036       34.55587 
1 1 1 -31 7  10 o 195.9353 25.88976 9.560263       2.327775  10.34496       3.171975  8.644471       3.426705  199.6492 35.05364 178.9492 41.51175 20.69998       54.33216 
1 1 1 -31 7  11 o 219.7100 24.10915 11.94417       2.450783  11.26221       3.359840  12.71963       3.582752  207.4362 35.72115 220.6989 35.73159 -13.26270      50.52472 
1 1 1 -31 7  12 o 298.0891 19.67195 21.61526       2.742927  23.94174       3.839531  19.19038       3.919887  309.6425 26.61895 274.2419 30.92577 35.40057       40.80407 
1 1 1 -31 7  13 o 297.7341 19.38610 21.60354       2.700310  20.83020       3.484438  22.76631       4.272596  288.4040 25.96224 297.9139 30.93946 -9.509857      40.38921 
1 1 1 -31 7  14 o 205.5031 26.27410 10.71149       2.481749  12.28138       3.109861  7.958457       4.118241  217.0807 31.36392 162.8818 49.42683 54.19887       58.53808 
1 1 1 -31 7  15 f 73.30350 31.98883 0.1508514E-01  2.080795  1.622864       2.546737  -3.213437      3.608883  93.77116 37.70512 76.93113 36.57664 16.84003       52.53119 
1 1 1 -31 7  16 o 58.48805 27.76816 -2.095478      2.065668  -1.881164      2.435401  -2.644976      3.899683  65.99657 30.96931 82.21779 38.76949 -16.22122      49.62027 
1 1 1 -31 7  17 o 150.5914 38.34148 6.494003       2.723209  5.481919       2.841749  17.87158       9.528014  136.8251 40.95509 195.9322 74.60954 -59.10709      85.11112 
1 1 1 -31 7  18 o 167.2681 31.84328 7.622408       2.414013  8.710266       2.861864  4.939396       4.494426  176.0483 35.77770 128.1190 50.55616 47.92935       61.93520 
1 1 1 -31 7  19 f 128.1446 35.94466 4.759900       2.254627  5.863371       2.698349  2.207591       4.103781  139.9265 39.34884 105.9073 45.57241 34.01913       60.20943 
1 1 1 -31 7  20 o 305.7186 23.06959 24.00020       3.293218  29.08740       4.489874  18.07644       4.845000  328.4109 29.37357 239.9650 44.56219 88.44594       53.37223 
1 1 1 -31 7  21 o 448.0693 21.26451 51.18161       4.481979  56.45066       7.814578  48.59872       5.471320  432.7862 38.79700 425.1732 27.50361 7.613007       47.55687 
1 1 1 -31 7  22 o 164.9909 40.69091 8.874043       3.138338  12.92509       5.802928  7.199342       3.731060  164.6057 59.00902 138.1672 47.48959 26.43852       75.74514 
1 1 1 -31 7  23 o 114.1963 44.34338 4.897959       3.411830  9.565993       6.032008  2.701973       4.137230  132.4067 56.05349 98.65961 43.98270 33.74709       71.24937 
1 1 1 -31 7  24 o 99.25807 45.09716 3.489915       4.589926  -2.993460      6.033995  12.39299       7.070892  83.69642 41.40695 130.1531 57.79189 -46.45666      71.09457 
1 1 1 -31 7  25 o 89.97800 44.32936 1.249406       6.668273  1.249406       6.668273  0.000000       0.000000  89.97800 44.32936 ?        ?        0.000000       44.32936 
1 1 1 -31 7  26 o 111.8341 53.12272 14.27765       7.579143  14.27765       7.579143  0.000000       0.000000  111.8341 53.12272 ?        ?        0.000000       53.12272 
1 1 1 -31 9  1  o 213.1159 30.31601 11.28365       2.953511  18.96552       6.996813  9.618048       3.258008  262.1043 58.25917 193.9819 37.05563 68.12245       69.04527 
1 1 1 -31 9  2  o 510.3111 18.23180 62.12307       4.376571  74.74534       7.931466  56.59734       5.247828  551.9645 30.66819 485.0769 22.99851 66.88766       38.33366 
1 1 1 -31 9  3  o 174.7442 46.75612 8.155165       3.918808  12.49735       5.822828  4.560048       5.298296  211.7202 57.13965 144.5651 55.49599 67.15503       79.65391 
1 1 1 -31 9  4  o 385.3981 26.11348 36.18948       4.706228  35.30176       6.671172  37.06897       6.640161  373.1707 38.55965 383.3445 37.29530 -10.17374      53.64500 
1 1 1 -31 9  5  o 474.9478 19.36342 54.02942       4.326107  49.13668       6.864299  57.25327       5.571963  444.2912 33.08125 485.7520 24.46352 -41.46082      41.14405 
1 1 1 -31 9  6  o 443.0094 17.48904 46.89393       3.644586  41.76875       5.577340  50.71344       4.814778  411.6282 28.98915 458.4441 22.32650 -46.81586      36.59021 
1 1 1 -31 9  7  o 221.7391 25.31544 12.11229       2.593235  10.98128       4.514015  12.66944       3.168219  199.9145 48.49679 224.5012 30.81314 -24.58664      57.45771 
1 1 1 -31 9  8  o 243.5085 23.50521 14.52506       2.658989  11.37384       3.931405  17.18193       3.609890  206.4796 41.90815 262.0048 29.82105 -55.52516      51.43528 
1 1 1 -31 9  9  o 213.6750 24.02718 11.26077       2.373163  11.60109       3.447389  10.95422       3.271808  211.1997 35.99022 205.5762 35.09306 5.623505       50.26747 
1 1 1 -31 9  10 o 494.0640 15.41588 58.36787       3.582786  55.56018       4.536859  63.02022       5.840053  479.2810 20.12314 507.0979 24.48249 -27.81686      31.69122 
1 1 1 -31 9  11 f 99.81717 34.89357 2.396611       2.018413  0.5531438      2.505409  5.805589       3.407007  85.24339 36.10836 144.5958 45.15143 -59.35245      57.81406 
1 1 1 -31 9  12 o 190.0383 28.11109 9.201723       2.437146  9.444115       3.288832  8.906499       3.629598  186.5530 38.74424 177.9566 43.68213 8.596436       58.38874 
1 1 1 -31 9  13 o 214.4536 23.58403 11.47173       2.339836  12.24839       2.878723  9.959706       4.016622  218.8266 28.65449 185.5313 46.19948 33.29530       54.36425 
1 1 1 -31 9  14 o 83.92607 34.37549 1.017727       2.162703  0.5487515      2.712033  1.836868       3.584260  86.59814 37.14986 105.1673 43.77597 -18.56918      57.41470 
1 1 1 -31 9  15 o 232.1032 25.74699 13.68058       2.763738  13.68058       2.763738  0.000000       0.000000  232.1032 25.74699 ?        ?        0.000000       25.74699 
1 1 1 -31 9  16 o 265.9796 21.04648 17.56817       2.611773  18.76910       3.067009  14.39936       4.982007  272.7288 24.15637 215.8338 50.04364 56.89500       55.56884 
1 1 1 -31 9  17 o 90.06192 34.87944 1.775439       2.106605  2.483310       2.427447  -0.3840087     4.239786  100.3178 37.78727 94.86277 43.19376 5.454994       57.38971 
1 1 1 -31 9  18 o 180.7974 28.38919 8.667994       2.334884  8.238735       2.689337  9.982077       4.705404  171.7354 34.48799 170.3197 53.04203 1.415619       63.26830 
1 1 1 -31 9  19 o 144.3054 37.64484 6.158305       2.582185  6.158305       2.582185  0.000000       0.000000  144.3054 37.64484 ?        ?        0.000000       37.64484 
1 1 1 -31 9  20 o 146.2893 38.86291 6.557484       2.719698  10.08621       3.385217  0.1332818      4.567591  180.8406 40.76861 95.28399 43.92266 85.55659       59.92729 
1 1 1 -31 9  21 o 100.9367 42.09159 2.708711       3.322345  2.102854       5.262850  3.110127       4.283841  104.8167 47.87990 106.7352 46.24277 -1.918480      66.56484 
1 1 1 -31 9  22 o 178.3529 42.38812 10.68943       3.503881  9.170631       5.459647  11.75310       4.568945  138.3357 55.35380 170.2527 52.14363 -31.91698      76.04605 
1 1 1 -31 9  23 o 93.07240 39.91383 2.440383       3.128711  2.098692       5.662598  2.590532       3.753711  98.33773 46.47610 95.78567 42.33986 2.552063       62.87044 
1 1 1 -31 9  24 o 228.1654 44.70137 19.49076       4.626170  25.21403       7.889915  16.49227       5.710861  179.8483 68.03530 169.9337 58.73366 9.914612       89.88017 
1 1 1 -31 9  25 o 127.9659 58.28215 17.22355       7.725760  17.22355       7.725760  0.000000       0.000000  127.9659 58.28215 ?        ?        0.000000       58.28215 
1 1 1 -31 9  26 o 84.41595 42.03415 2.186088       6.622669  2.186088       6.622669  0.000000       0.000000  84.41595 42.03415 ?        ?        0.000000       42.03415 
1 1 1 -31 11 1  o 379.7498 18.63228 34.46747       3.328381  34.36386       7.828280  34.49034       3.677315  361.9033 47.09983 378.6321 20.72504 -16.72885      51.45795 
1 1 1 -31 11 2  o 151.6263 41.19532 6.046386       3.014705  0.8490586      5.478556  8.303643       3.610494  121.7193 52.51487 176.7319 43.67977 -55.01264      68.30618 
1 1 1 -31 11 3  o 212.8626 42.82864 11.94761       4.139951  14.49057       5.908230  9.494650       5.802746  227.3624 55.68459 183.8138 59.11488 43.54868       81.21172 
1 1 1 -31 11 4  o 116.3154 46.60549 2.300584       3.876027  -3.282635      5.578472  7.511891       5.389472  103.2680 47.93077 166.3489 57.08196 -63.08085      74.53663 
1 1 1 -31 11 5  o 560.7172 16.82041 75.08884       4.436594  69.25835       6.531606  80.08324       6.045174  532.8719 26.05720 575.7465 22.32072 -42.87451      34.31024 
1 1 1 -31 11 6  o 106.9308 37.31738 2.705188       2.308097  2.792303       4.429146  2.672711       2.704317  123.6631 49.72436 109.3806 40.12897 14.28247       63.89715 
1 1 1 -31 11 7  o 125.9623 36.91059 4.145533       2.328063  4.427032       4.147666  4.016053       2.812975  134.5203 49.64298 125.0887 41.22290 9.431633       64.52715 
1 1 1 -31 11 8  o 291.8032 21.37182 20.72539       2.913193  16.49018       4.088731  25.09215       4.151746  252.8199 35.34671 317.4781 28.09011 -64.65820      45.14913 
1 1 1 -31 11 9  o 383.2699 16.84293 35.23767       3.036629  32.51621       3.942042  39.20928       4.762154  364.3986 23.11692 398.5759 25.53365 -34.17725      34.44357 
1 1 1 -31 11 10 o 159.9610 30.75243 6.620646       2.229945  6.576703       2.946574  6.679549       3.411501  155.2374 40.07607 154.6800 44.49750 0.5574799      59.88421 
1 1 1 -31 11 11 o 238.6647 22.84524 14.07240       2.533463  14.21891       3.244895  13.84364       4.054581  236.0316 29.89561 226.6014 39.47215 9.430115       49.51564 
1 1 1 -31 11 12 o 292.3461 18.13691 20.74838       2.481883  21.14431       2.965022  19.82164       4.536263  293.2156 21.64981 273.6544 36.12210 19.56125       42.11318 
1 1 1 -31 11 13 o 156.7237 28.49948 6.363009       2.023674  6.567235       2.355661  5.787753       3.953563  157.0185 32.94382 141.5664 48.87212 15.45207       58.93877 
1 1 1 -31 11 14 o 142.9284 31.11834 5.431566       2.032869  4.087111       2.333751  9.660418       4.138974  122.0684 37.24486 179.5322 48.05767 -57.46386      60.80066 
1 1 1 -31 11 15 o 111.9418 34.57510 3.394357       2.003996  3.975431       2.251208  1.175981       4.398629  120.0142 36.57186 106.1406 46.40887 13.87366       59.08709 
1 1 1 -31 11 16 o 60.06530 28.42205 -1.986282      2.129330  -1.986282      2.129330  0.000000       0.000000  60.06530 28.42205 ?        ?        0.000000       28.42205 
1 1 1 -31 11 17 o 313.8076 18.53786 24.26298       2.724335  27.61028       3.211649  15.67455       5.144437  333.0694 20.59971 221.8030 50.44526 111.2663       54.48920 
1 1 1 -31 11 18 o 190.1601 26.78245 9.501280       2.329366  9.634722       2.625672  9.008130       5.047598  188.6016 30.64772 157.4298 55.17189 31.17177       63.11276 
1 1 1 -31 11 19 o 79.35997 33.34356 0.9214886      2.108585  0.6213742      2.358087  2.118807       4.710003  79.56730 34.39066 106.8486 47.31880 -27.28131      58.49604 
1 1 1 -31 11 20 o 211.9485 37.47269 13.38269       3.599399  16.23365       5.038465  10.41127       5.143808  215.1935 50.62074 159.6523 55.70956 55.54121       75.27293 
1 1 1 -31 11 21 o 166.2304 54.52510 11.54222       4.923449  0.000000       0.000000  11.54222       4.923449  ?        ?        166.2304 54.52510 0.000000       54.52510 
1 1 1 -31 11 22 f 121.7092 48.18914 6.077247       4.096246  9.997028       5.231988  -0.1307967     6.584354  142.7504 55.05639 96.67561 46.83801 46.07475       72.28419 
1 1 1 -31 11 23 o 114.8191 45.43517 5.519556       3.639505  8.073723       6.312793  4.247914       4.454298  117.7774 53.26188 103.9881 46.03596 13.78924       70.39984 
1 1 1 -31 11 24 o 78.54408 37.87073 -0.6214773     4.181409  -0.1712545E-01 6.456959  -1.057967      5.487443  88.02515 43.41613 82.93696 40.73241 5.088196       59.53225 
1 1 1 -31 11 25 o 136.2768 59.51361 19.15577       7.214062  19.15577       7.214062  0.000000       0.000000  136.2768 59.51361 ?        ?        0.000000       59.51361 
1 1 1 -31 13 1  o 269.9377 22.36587 17.69494       2.814418  11.98276       6.964861  18.80969       3.076808  201.6575 64.75504 277.8067 23.77343 -76.14928      68.98109 
1 1 1 -31 13 2  o 243.0128 39.07849 15.30221       4.315809  23.73960       7.049423  10.24376       5.458309  293.6620 52.98059 189.7548 56.75161 103.9072       77.63819 
1 1 1 -31 13 3  o 403.5478 36.65975 41.40904       6.883187  0.000000       0.000000  41.40904       6.883187  ?        ?        403.5478 36.65975 0.000000       36.65975 
1 1 1 -31 13 4  o 289.7010 24.00268 20.51899       3.241525  13.89830       5.554275  23.93876       3.991854  221.5475 53.82660 311.2394 27.54996 -89.69189      60.46737 
1 1 1 -31 13 5  o 184.9158 31.99381 8.734793       2.682240  3.253877       4.507769  11.73900       3.337337  127.2175 50.49427 213.8306 34.34113 -86.61314      61.06541 
1 1 1 -31 13 6  o 455.0217 17.57356 49.64825       3.761500  46.97456       5.581629  51.87278       5.091255  435.9667 27.35550 461.0661 23.55287 -25.09940      36.09794 
1 1 1 -31 13 7  o 422.8441 17.62339 42.92406       3.505411  40.35181       5.024869  45.36267       4.892578  404.0388 26.58674 430.1915 24.27641 -26.15277      36.00276 
1 1 1 -31 13 8  o 105.9692 37.06663 2.715959       2.277806  2.378388       3.510791  2.961356       2.993341  111.7069 44.49114 113.2991 42.10097 -1.592110      61.25319 
1 1 1 -31 13 9  o 213.5525 24.24106 11.31925       2.392004  9.731478       3.264539  13.15993       3.514929  191.0302 37.66743 224.9792 34.29761 -33.94893      50.94273 
1 1 1 -31 13 10 o 71.95846 31.89082 -0.3891391     2.143191  -4.655195      2.785315  5.802617       3.355583  60.61098 29.61058 144.2071 44.77330 -83.59611      53.67900 
1 1 1 -31 13 11 o 171.5975 31.73493 7.691163       2.467284  8.251868       3.134313  6.777646       4.000677  173.6302 39.29182 152.9314 49.07446 20.69890       62.86613 
1 1 1 -31 13 12 o 263.2837 18.92686 16.90418       2.328435  17.85587       2.806189  14.80083       4.171808  268.7534 22.40104 233.1868 39.43842 35.56660       45.35632 
1 1 1 -31 13 13 o 187.4792 23.38784 8.811752       2.017729  10.71431       2.354916  3.558264       3.913185  206.2301 24.77025 120.9390 47.34303 85.29102       53.43152 
1 1 1 -31 13 14 o 160.2720 27.39680 6.649679       1.991302  7.269254       2.236585  4.280619       4.373475  166.5036 29.64222 127.4066 49.99960 39.09705       58.12590 
1 1 1 -31 13 15 f 92.39791 35.71955 1.852400       2.206223  1.852400       2.206223  0.000000       0.000000  92.39791 35.71955 ?        ?        0.000000       35.71955 
1 1 1 -31 13 16 o 284.3911 20.23777 20.07402       2.689705  21.85447       3.052180  13.88526       5.690475  295.2940 22.13386 199.9763 57.45241 95.31778       61.56855 
1 1 1 -31 13 17 o 124.1969 34.61345 4.374187       2.097775  3.319309       2.313177  9.260000       4.978244  108.9863 37.39653 161.4423 54.86623 -52.45596      66.39883 
1 1 1 -31 13 18 o 85.43372 34.04267 1.536957       2.056315  1.787242       2.263911  0.3569429      4.915707  89.83723 35.74417 100.3970 46.01485 -10.55976      58.26673 
1 1 1 -31 13 19 o 143.2565 36.46936 6.128285       2.463985  5.779105       2.809721  7.290977       5.127092  135.2536 40.77773 137.3702 54.06391 -2.116608      67.71802 
1 1 1 -31 13 20 o 199.2696 41.06870 12.57404       3.721637  14.13496       5.294875  11.04994       5.232067  186.8673 55.89721 160.5718 56.17673 26.29553       79.24849 
1 1 1 -31 13 21 o 162.2535 57.57656 12.56021       5.511232  0.000000       0.000000  12.56021       5.511232  ?        ?        162.2535 57.57656 0.000000       57.57656 
1 1 1 -31 13 22 o 141.7747 47.20924 8.184862       3.685787  9.714626       5.482059  6.922902       4.979139  134.2806 54.83371 120.2964 50.92690 13.98421       74.83505 
1 1 1 -31 13 23 o 135.6042 52.63777 10.00677       4.806259  17.54459       6.630107  1.658740       6.977332  158.5856 61.74989 94.75915 46.41370 63.82641       77.24818 
1 1 1 -31 13 24 f 98.02533 44.74793 4.674828       4.587270  7.372177       6.472796  1.953032       6.502062  103.5476 49.15903 89.67207 44.10003 13.87553       66.04107 
1 1 1 -31 15 1  o 331.4386 18.83881 26.43379       2.925020  40.04162       7.906736  24.27620       3.148381  390.3702 43.81416 316.5995 21.26353 73.77069       48.70131 
1 1 1 -31 15 2  o 140.6890 43.56580 5.249509       3.179403  10.52319       6.264740  3.419978       3.689913  189.1764 61.47895 123.5791 46.58065 65.59737       77.13248 
1 1 1 -31 15 3  o 188.9720 42.53440 9.599204       3.689768  8.735720       5.124063  10.52913       5.317555  175.0483 55.47221 191.0342 55.72847 -15.98592      78.63097 
1 1 1 -31 15 4  o 173.3764 34.32035 7.798793       2.699992  9.232586       5.112916  7.244352       3.179457  179.0908 55.21210 164.0766 41.24109 15.01414       68.91447 
1 1 1 -31 15 5  o 121.3513 36.59414 3.833946       2.262591  15.93817       4.604624  -0.1884661E-01 2.597847  244.8348 41.46063 82.60631 35.89989 162.2285       54.84328 
1 1 1 -31 15 6  o 316.0501 21.21128 24.29868       3.135212  18.69661       4.757306  28.59988       4.168524  266.7101 39.07773 340.0776 26.26106 -73.36749      47.08197 
1 1 1 -31 15 7  o 202.3786 28.85074 10.35745       2.668820  11.80239       4.383774  9.506540       3.364083  205.9393 46.36882 188.4407 39.22663 17.49857       60.73545 
1 1 1 -31 15 8  o 140.4965 36.73296 5.283507       2.455030  2.093140       3.589179  8.088586       3.365482  109.7016 44.53223 171.6146 42.02477 -61.91294      61.23072 
1 1 1 -31 15 9  o 358.6429 18.68171 31.14718       3.140822  29.48520       3.980710  33.88823       5.112185  345.2615 24.67252 366.1095 29.94637 -20.84805      38.80101 
1 1 1 -31 15 10 o 380.9087 29.03338 36.65280       5.163030  0.000000       0.000000  36.65280       5.163030  ?        ?        380.9087 29.03338 0.000000       29.03338 
1 1 1 -31 15 11 o 359.8691 17.41608 31.26923       2.948251  31.93905       3.587280  29.87515       5.175220  360.8996 21.22392 339.6177 32.80264 21.28189       39.07004 
1 1 1 -31 15 12 o 129.0011 34.99160 4.515708       2.177162  2.635994       2.416691  12.61296       5.015845  104.1563 37.97693 203.3691 52.17501 -99.21283      64.53278 
1 1 1 -31 15 13 o 283.1574 17.13789 19.48496       2.271977  20.77331       2.523761  13.97741       5.218080  291.6380 18.49216 212.4194 52.51802 79.21855       55.67857 
1 1 1 -31 15 14 o 96.63685 33.29124 2.378608       1.834069  1.727890       1.994114  5.951249       4.672488  89.21124 34.09381 139.9865 52.48504 -50.77523      62.58648 
1 1 1 -31 15 15 o 206.7034 24.51475 10.89599       2.337202  10.89599       2.337202  0.000000       0.000000  206.7034 24.51475 ?        ?        0.000000       24.51475 
1 1 1 -31 15 16 o 94.12857 34.85907 2.198090       2.048690  2.691431       2.227715  -0.5065399     5.216027  101.1199 36.52399 101.0109 46.69347 0.1090088      59.28138 
1 1 1 -31 15 17 o 167.8896 31.75290 7.776560       2.415841  9.327667       2.786989  3.088516       4.845184  182.6167 33.68433 114.2598 49.34109 68.35696       59.74260 
1 1 1 -31 15 18 o 177.8338 30.50502 8.727798       2.459977  9.297668       2.819425  6.910543       5.034785  180.0285 34.54922 135.9509 53.55281 44.07768       63.73030 
1 1 1 -31 15 19 o 185.4662 43.13561 11.16600       3.692247  15.02973       4.974746  6.427268       5.509331  202.7690 51.92834 127.6137 53.77197 75.15533       74.75277 
1 1 1 -31 15 20 o 92.43625 42.12207 1.084951       4.042083  5.758027       5.250633  -5.713437      6.333055  119.6180 51.51004 85.24798 42.21830 34.37001       66.60082 
1 1 1 -31 15 21 o 85.45367 41.55892 -2.052185      5.314833  0.000000       0.000000  -2.052185      5.314833  ?        ?        85.45367 41.55892 0.000000       41.55892 
1 1 1 -31 15 22 o 87.03543 40.17900 1.304954       3.842933  3.926873       5.812006  -0.7317780     5.122516  101.5263 47.70587 85.18606 41.28185 16.34019       63.08757 
1 1 1 -31 17 1  o 61.94200 28.71156 -1.501183      1.992007  -0.2902497     5.817719  -1.662008      2.120165  117.1442 52.19450 63.39957 29.46749 53.74466       59.93829 
1 1 1 -31 17 2  o 320.9985 24.85213 25.27096       3.723388  24.33413       6.839267  25.66558       4.438855  296.9837 50.78088 320.7137 29.76200 -23.72992      58.85979 
1 1 1 -31 17 3  o 149.5115 46.95449 6.082022       3.678637  6.652437       5.033483  5.428062       5.389503  156.1034 55.06398 147.3932 56.11658 8.710175       78.62005 
1 1 1 -31 17 4  o 162.7461 33.75097 6.890488       2.499081  2.235692       4.252579  9.346018       3.088693  117.3124 48.14443 189.0914 36.04002 -71.77901      60.13958 
1 1 1 -31 17 5  o 297.1036 21.48243 21.50338       2.982107  23.93256       4.763342  19.93758       3.824293  306.1843 33.62563 281.9216 29.26356 24.26270       44.57621 
1 1 1 -31 17 6  o 249.4642 24.40390 15.37200       2.827085  13.06217       4.535132  16.84007       3.615551  217.3380 45.80390 257.9557 30.37850 -40.61769      54.96226 
1 1 1 -31 17 7  o 142.8204 37.96576 5.491668       2.594504  3.568593       4.065229  6.813319       3.370119  124.9637 48.43719 156.6352 43.94945 -31.67151      65.40424 
1 1 1 -31 17 8  o 121.1361 37.95160 3.885362       2.404839  2.198480       3.546601  5.321047       3.271895  109.7591 44.36793 139.0331 44.35547 -29.27402      62.73692 
1 1 1 -31 17 9  o 257.1285 23.18525 16.34985       2.774179  17.87622       3.748124  14.50060       4.125539  264.2667 30.72450 232.0240 39.19513 32.24274       49.80214 
1 1 1 -31 17 10 o 87.18025 35.56051 1.122252       2.302370  0.3014568      2.971628  2.354935       3.641687  88.54008 38.43711 110.6161 44.87309 -22.07604      59.08472 
1 1 1 -31 17 11 f 60.82929 28.67922 -1.970878      2.132375  -0.6078616     2.512745  -5.478597      4.030977  75.59894 33.94733 74.66785 36.28554 0.9310837      49.68966 
1 1 1 -31 17 12 o 104.0816 35.29650 2.808535       2.060252  3.121993       2.290017  1.477408       4.719095  108.9939 37.21146 110.9809 48.30859 -1.987061      60.97879 
1 1 1 -31 17 13 f 198.2498 23.59289 9.922877       2.156998  10.43559       2.387792  7.648633       5.028951  202.1285 25.69367 153.5417 54.94464 48.58682       60.65540 
1 1 1 -31 17 14 f 116.5946 38.09392 3.809935       2.404063  3.809935       2.404063  0.000000       0.000000  116.5946 38.09392 ?        ?        0.000000       38.09392 
1 1 1 -31 17 15 o 289.1198 19.39890 20.72683       2.623010  21.26523       2.883853  18.14804       6.311486  291.4433 21.18013 226.2482 58.77330 65.19507       62.47318 
1 1 1 -31 17 16 o 219.4837 24.95486 12.48799       2.530675  13.28506       2.755342  8.189656       6.398505  225.1333 26.52670 145.2340 59.26567 79.89931       64.93140 
1 1 1 -31 17 17 o 240.2200 24.17914 14.99293       2.695112  15.34428       2.929014  13.05291       6.882620  241.0524 26.25560 167.9366 63.54050 73.11580       68.75137 
1 1 1 -31 17 18 o 102.1557 41.38886 2.875335       3.093927  5.338883       4.132061  -0.2682896     4.667684  123.0114 48.49607 92.76069 43.31676 30.25074       65.02470 
1 1 1 -31 17 19 o 293.8683 50.68217 31.15339       6.753044  31.15339       6.753044  0.000000       0.000000  293.8683 50.68217 ?        ?        0.000000       50.68217 
1 1 1 -31 17 20 o 210.9138 41.45847 14.85857       3.966624  22.33056       6.213387  9.718451       5.153433  225.7862 58.14816 140.9115 54.55915 84.87477       79.73650 
1 1 1 -31 19 1  o 156.1422 41.74200 6.588624       3.125009  8.391796       6.162793  5.964502       3.625718  170.8315 60.85669 148.1005 46.63247 22.73093       76.66891 
1 1 1 -31 19 2  o 266.7810 27.63631 17.72639       3.417898  19.82462       6.720892  16.99445       3.969530  261.4949 56.30345 257.8910 33.51362 3.603912       65.52283 
1 1 1 -31 19 3  o 162.6674 31.60773 6.825732       2.331450  5.066483       4.947120  7.328017       2.643407  142.0229 53.83791 167.3095 34.72433 -25.28661      64.06481 
1 1 1 -31 19 4  o 71.21840 32.44846 -1.151293      2.397545  -1.254036      4.512413  -1.110880      2.830064  98.68352 44.78934 78.31683 35.51670 20.36669       57.16224 
1 1 1 -31 19 5  o 104.3668 44.34477 1.095894       3.797768  1.095894       3.797768  0.000000       0.000000  104.3668 44.34477 ?        ?        0.000000       44.34477 
1 1 1 -31 19 6  o 260.7477 24.80988 16.86679       3.006402  20.24540       4.570262  14.28954       3.991629  278.6122 35.69216 232.1130 37.86350 46.49919       52.03436 
1 1 1 -31 19 7  o 212.2322 32.82118 11.70028       3.170944  13.25403       5.771666  11.02854       3.794991  207.3701 57.27531 200.4325 41.61234 6.937683       70.79581 
1 1 1 -31 19 8  o 252.1993 25.26770 15.89898       2.957312  18.96689       4.210930  12.91320       4.154190  269.6056 33.95643 215.9911 42.40027 53.61444       54.32147 
1 1 1 -31 19 9  o 91.18089 37.58196 1.192477       2.605222  -2.401679      3.793892  4.399525       3.583762  83.41518 38.98616 128.0049 46.31137 -44.58972      60.53646 
1 1 1 -31 19 10 o 169.6451 33.31951 7.683473       2.564070  9.987538       3.170345  3.326398       4.359701  191.9094 36.45181 121.2438 49.12810 70.66568       61.17438 
1 1 1 -31 19 11 o 257.8081 22.88198 16.59418       2.746136  18.68823       3.260267  11.48038       5.094845  271.5977 25.82968 189.1362 54.36962 82.46143       60.19325 
1 1 1 -31 19 12 o 180.8683 29.05423 8.576742       2.388272  8.810354       2.726369  7.806184       4.951535  180.5668 33.32569 154.4484 54.59952 26.11838       63.96647 
1 1 1 -31 19 13 o 208.9960 24.18091 11.12888       2.333374  11.77928       2.581033  8.219382       5.459021  213.6818 26.22842 153.8755 56.91934 59.80627       62.67170 
1 1 1 -31 19 14 o 170.4199 32.83085 7.996586       2.536451  7.996586       2.536451  0.000000       0.000000  170.4199 32.83085 ?        ?        0.000000       32.83085 
1 1 1 -31 19 15 o 127.0626 36.06419 4.707320       2.255792  4.604103       2.436431  5.326992       5.969788  124.5688 38.06528 128.9009 55.20247 -4.332130      67.05429 
1 1 1 -31 19 16 o 214.0254 27.66112 12.27445       2.719701  13.09418       2.969854  8.014270       6.770398  219.3302 29.53604 138.6438 59.06562 80.68643       66.03882 
1 1 1 -31 19 17 f 383.0226 20.46502 37.30090       3.673930  43.05408       4.212204  19.00714       7.511154  409.2646 21.95960 192.8616 67.31824 216.4030       70.80939 
1 1 1 -31 19 18 o 156.8054 43.27008 8.399809       3.295879  11.16406       3.958880  2.156956       5.949427  177.0966 46.81219 104.9433 48.97148 72.15334       67.74649 
1 1 1 -31 21 1  o 133.7213 43.12230 4.790639       3.086168  -0.7274079     6.274376  6.551709       3.544591  116.9874 52.98438 153.5525 45.68999 -36.56512      69.96370 
1 1 1 -31 21 2  o 414.3038 21.24718 41.79316       4.126920  39.59572       7.725693  42.67056       4.881791  383.2029 43.63696 415.8932 25.07050 -32.69034      50.32608 
1 1 1 -31 21 3  o 71.23043 32.03332 -0.7420361     2.246758  7.110975       4.735417  -3.023391      2.552328  157.0928 53.51078 63.46380 30.33617 93.62905       61.51168 
1 1 1 -31 21 4  o 127.2077 37.87883 4.339128       2.435560  5.659534       3.483720  3.076695       3.406385  142.6631 45.79574 116.2516 44.52862 26.41157       63.87526 
1 1 1 -31 21 5  o 257.7675 25.32137 16.57383       3.030696  12.09554       3.732228  25.24376       5.193016  211.8367 38.88699 309.9732 36.30196 -98.13651      53.19802 
1 1 1 -31 21 6  o 158.5291 38.46754 6.882174       2.839467  3.681165       3.638701  11.86683       4.540673  122.1018 46.20002 202.0700 48.40592 -79.96820      66.91468 
1 1 1 -31 21 7  o 310.1495 23.50189 23.86760       3.403332  22.14473       4.369457  26.52497       5.426584  292.0682 32.34657 315.1988 37.32420 -23.13062      49.39024 
1 1 1 -31 21 8  o 270.6754 23.53237 18.26118       2.966473  15.64440       3.520377  24.67004       5.509287  245.2763 31.21915 300.1887 40.01132 -54.91235      50.74979 
1 1 1 -31 21 9  o 153.9843 40.31448 6.733993       2.954473  5.423316       3.811543  8.706898       4.676342  136.5193 47.93750 165.9774 53.03547 -29.45813      71.48962 
1 1 1 -31 21 10 o 267.3357 24.03907 17.99599       2.990717  20.08633       3.548358  12.86861       5.557343  279.9426 27.29283 196.3247 56.88494 83.61787       63.09355 
1 1 1 -31 21 11 o 231.2727 27.51108 13.85215       2.934242  12.78729       3.253324  18.49584       6.793783  218.1550 32.71083 228.0469 61.79317 -9.891891      69.91705 
1 1 1 -31 21 12 o 166.5751 37.28210 7.907269       2.848438  7.394610       3.208823  9.812724       6.186298  156.7862 42.46077 161.4052 60.41594 -4.619034      73.84445 
1 1 1 -31 21 13 o 120.3852 39.31199 4.260117       2.560386  4.260117       2.560386  0.000000       0.000000  120.3852 39.31199 ?        ?        0.000000       39.31199 
1 1 1 -31 21 14 o 281.4574 24.24607 20.45105       3.178808  24.60781       3.646573  7.294888       6.487422  307.5284 25.43586 138.1250 58.28359 169.4034       63.59214 
1 1 1 -31 21 15 o 241.3366 24.70524 15.24941       2.765134  17.07920       3.062495  7.175982       6.432860  254.1700 25.97943 133.7214 57.28616 120.4485       62.90179 
1 1 1 -31 23 1  o 106.0461 41.58028 2.308734       3.022230  -0.3956600     5.676542  3.378564       3.570314  111.8794 50.55864 119.5009 45.63171 -7.621445      68.10602 
1 1 1 -31 23 2  o 306.6508 25.50405 23.45787       3.645564  26.57253       6.905881  22.25459       4.292378  303.9963 50.03382 294.3253 31.49144 9.670929       59.11932 
1 1 1 -31 23 3  o 93.36941 37.72743 1.453000       2.563293  -0.3602219     4.093136  2.622929       3.287839  97.09678 43.48293 110.4017 43.34369 -13.30489      61.39577 
1 1 1 -31 23 4  o 178.6698 33.08598 8.438519       2.678356  5.085104       3.172458  16.75981       4.997441  134.7710 43.74710 243.1812 45.35503 -108.4102      63.01498 
1 1 1 -31 23 5  o 90.24598 37.50943 1.088886       2.625986  -1.682139      3.244704  6.349585       4.470710  79.61800 36.81255 146.4479 51.86909 -66.82990      63.60477 
1 1 1 -31 23 6  o 84.87025 36.60805 0.4216855      2.661024  0.3735901      3.218621  0.5255648      4.730238  91.09372 39.76772 106.2503 47.21910 -15.15660      61.73423 
1 1 1 -31 23 7  o 87.59789 37.44108 0.6978021      2.736605  -1.573558      3.290446  5.793698       4.928583  80.15531 37.06454 140.0059 53.57726 -59.85062      65.14832 
1 1 1 -31 23 8  o 252.7406 30.52084 16.74353       3.555142  16.65533       4.496511  16.89061       5.806445  242.8823 40.80279 229.4944 54.58211 13.38794       68.14745 
1 1 1 -31 23 9  o 120.0648 41.59945 4.076250       2.865701  4.629555       3.349234  2.564209       5.536623  126.2658 44.87591 119.0246 52.05410 7.241234       68.72755 
1 1 1 -31 23 10 o 246.9767 25.23641 15.63756       2.890737  15.71750       3.305387  15.37753       5.961156  244.1757 29.36625 208.6960 58.41442 35.47961       65.38059 
1 1 1 -31 23 11 o 238.0269 26.90971 14.79037       2.960121  15.69424       3.366795  11.71225       6.213081  242.2754 30.19739 172.4654 61.14009 69.81000       68.19086 
1 1 1 -31 25 1  o 225.4943 38.05063 13.84257       3.892488  0.000000       0.000000  13.84257       3.892488  ?        ?        225.4943 38.05063 0.000000       38.05063 
1 1 1 -31 25 2  o 125.8767 40.28425 4.396961       2.697216  12.03032       6.096922  2.539530       3.007524  188.4908 60.59225 106.5451 41.56071 81.94569       73.47594 
1 1 1 -31 25 3  f 287.6113 23.82396 20.70051       3.194194  10.24627       4.478694  31.52288       4.556866  182.4555 50.47814 351.6257 27.77580 -169.1702      57.61543 
1 1 1 -31 25 4  o 130.7362 40.20470 4.842789       2.713071  6.148000       3.208553  1.568371       5.082014  144.9973 43.54451 113.3091 49.70461 31.68822       66.08081 
1 1 1 -30 0  1  o 96.82583 59.45343 1.931042       5.225966  1.931042       5.225966  1.931042       5.225966  96.82583 59.45343 96.82583 59.45343 0.000000       0.000000 
1 1 1 -30 0  2  o 376.2034 32.93670 34.29336       5.725933  34.29336       5.725933  34.29336       5.725933  376.2034 32.93670 376.2034 32.93670 0.000000       0.000000 
1 1 1 -30 0  3  o 141.7476 65.10447 7.052545       4.752835  7.052545       4.752835  7.052545       4.752835  141.7476 65.10447 141.7476 65.10447 0.000000       0.000000 
1 1 1 -30 0  4  o 313.7065 36.56120 24.28711       5.203887  24.28711       5.203887  24.28711       5.203887  313.7065 36.56120 313.7065 36.56120 0.000000       0.000000 
1 1 1 -30 0  5  o 91.85541 54.60104 2.262039       4.121104  2.262039       4.121104  2.262039       4.121104  91.85541 54.60104 91.85541 54.60104 0.000000       0.000000 
1 1 1 -30 0  6  o 331.9353 26.13499 26.53090       4.022607  26.53090       4.022607  26.53090       4.022607  331.9353 26.13499 331.9353 26.13499 0.000000       0.000000 
1 1 1 -30 0  7  o 574.0673 33.72709 79.04282       9.035786  79.04282       9.035786  79.04282       9.035786  574.0673 33.72709 574.0673 33.72709 0.000000       0.000000 
1 1 1 -30 0  8  o 115.3616 77.59569 -3.831748      12.00836  -3.831748      12.00836  -3.831748      12.00836  115.3616 77.59569 115.3616 77.59569 0.000000       0.000000 
1 1 1 -30 0  9  o 98.83166 51.75458 3.429061       3.166466  3.429061       3.166466  3.429061       3.166466  98.83166 51.75458 98.83166 51.75458 0.000000       0.000000 
1 1 1 -30 0  10 o 571.2000 21.59894 77.43284       5.784663  77.43284       5.784663  77.43284       5.784663  571.2000 21.59894 571.2000 21.59894 0.000000       0.000000 
1 1 1 -30 0  11 o 301.3994 26.25928 22.00662       3.658004  22.00662       3.658004  22.00662       3.658004  301.3994 26.25928 301.3994 26.25928 0.000000       0.000000 
1 1 1 -30 0  12 o 386.2328 23.08308 35.68261       4.159543  35.68261       4.159543  35.68261       4.159543  386.2328 23.08308 386.2328 23.08308 0.000000       0.000000 
1 1 1 -30 0  14 o 101.4036 52.30145 3.686105       3.197422  3.686105       3.197422  3.686105       3.197422  101.4036 52.30145 101.4036 52.30145 0.000000       0.000000 
1 1 1 -30 0  15 o 105.7931 55.57386 4.030916       3.659647  4.030916       3.659647  4.030916       3.659647  105.7931 55.57386 105.7931 55.57386 0.000000       0.000000 
1 1 1 -30 0  16 o 311.7281 26.87811 23.63755       3.873930  23.63755       3.873930  23.63755       3.873930  311.7281 26.87811 311.7281 26.87811 0.000000       0.000000 
1 1 1 -30 0  17 o 371.0103 23.59941 33.09955       4.080457  33.09955       4.080457  33.09955       4.080457  371.0103 23.59941 371.0103 23.59941 0.000000       0.000000 
1 1 1 -30 0  18 o 368.4214 23.23057 32.64716       3.989309  32.64716       3.989309  32.64716       3.989309  368.4214 23.23057 368.4214 23.23057 0.000000       0.000000 
1 1 1 -30 0  19 o 127.9422 53.37409 5.659142       3.211928  5.659142       3.211928  5.659142       3.211928  127.9422 53.37409 127.9422 53.37409 0.000000       0.000000 
1 1 1 -30 0  20 o 318.5540 32.49949 25.15755       4.753828  25.15755       4.753828  25.15755       4.753828  318.5540 32.49949 318.5540 32.49949 0.000000       0.000000 
1 1 1 -30 0  21 o 73.14965 43.60207 1.508388       2.640693  1.508388       2.640693  1.508388       2.640693  73.14965 43.60207 73.14965 43.60207 0.000000       0.000000 
1 1 1 -30 0  22 o 357.7414 23.03485 30.89729       3.839501  30.89729       3.839501  30.89729       3.839501  357.7414 23.03485 357.7414 23.03485 0.000000       0.000000 
1 1 1 -30 0  23 o 107.3642 49.30016 4.182447       2.725315  4.182447       2.725315  4.182447       2.725315  107.3642 49.30016 107.3642 49.30016 0.000000       0.000000 
1 1 1 -30 0  24 o 98.82796 62.58401 2.166469       6.267848  2.166469       6.267848  2.166469       6.267848  98.82796 62.58401 98.82796 62.58401 0.000000       0.000000 
1 1 1 -30 0  25 o 97.36971 64.07343 0.7461356      7.458420  0.7461356      7.458420  0.7461356      7.458420  97.36971 64.07343 97.36971 64.07343 0.000000       0.000000 
1 1 1 -30 0  26 o 130.8270 75.15900 7.514864       7.379681  7.514864       7.379681  7.514864       7.379681  130.8270 75.15900 130.8270 75.15900 0.000000       0.000000 
1 1 1 -30 0  27 f 134.9220 76.58485 8.504757       7.535426  8.504757       7.535426  8.504757       7.535426  134.9220 76.58485 134.9220 76.58485 0.000000       0.000000 
1 1 1 -30 2  1  o 309.2627 28.12308 23.12642       4.046571  31.43000       6.252955  17.14311       5.307908  357.3285 37.77306 260.1591 45.00122 97.16934       58.75299 
1 1 1 -30 2  2  o 329.8034 27.28915 26.25116       4.195611  23.69114       6.224495  28.38275       5.679820  306.8459 44.41542 339.8991 36.07487 -33.05322      57.21998 
1 1 1 -30 2  3  o 272.1741 29.73375 18.03980       3.744921  18.78420       5.793622  17.50557       4.908090  271.2446 47.11626 264.2011 40.80668 7.043518       62.33079 
1 1 1 -30 2  4  o 231.7500 32.95629 13.25935       3.491538  16.70476       5.362414  10.72369       4.600299  255.4384 46.33406 202.9247 48.79272 52.51372       67.28725 
1 1 1 -30 2  5  o 222.9951 28.58192 12.16662       2.929165  13.63029       4.760005  11.27454       3.716092  230.1122 45.58622 211.2128 38.83317 18.89941       59.88421 
1 1 1 -30 2  6  o 309.2083 20.54206 22.89416       2.970888  25.49386       4.626476  21.06993       3.875511  322.9085 30.83271 294.2025 28.35463 28.70602       41.88844 
1 1 1 -30 2  7  o 289.2061 44.13582 21.39904       5.814147  21.39904       5.814147  0.000000       0.000000  289.2061 44.13582 ?        ?        0.000000       44.13582 
1 1 1 -30 2  8  o 237.2559 83.33496 17.01843       11.51913  17.01843       11.51913  0.000000       0.000000  237.2559 83.33496 ?        ?        0.000000       83.33496 
1 1 1 -30 2  9  o 375.5821 17.31738 33.59757       3.059542  37.56033       4.719220  30.72430       4.018460  393.4343 25.63943 356.3270 24.11605 37.10733       35.19893 
1 1 1 -30 2  10 o 608.7143 15.08773 88.07335       4.320230  83.24793       5.862201  93.80949       6.391512  588.8240 21.16440 624.7028 21.75008 -35.87878      30.34795 
1 1 1 -30 2  11 o 419.7959 15.82513 41.98556       3.125035  45.33036       4.424720  38.65660       4.414232  433.7720 21.68478 399.0564 23.62051 34.71561       32.06490 
1 1 1 -30 2  12 o 515.7907 15.08767 63.39333       3.660707  64.72811       5.100668  61.97552       5.256908  518.1035 20.92865 506.2676 22.07400 11.83588       30.41825 
1 1 1 -30 2  13 o 66.67484 30.19743 -0.9118740     2.038040  -2.158797      2.762486  0.5773844      3.019015  71.56798 33.38794 92.78503 39.48330 -21.21705      51.70769 
1 1 1 -30 2  14 o 371.9793 25.10758 34.16755       4.367608  0.000000       0.000000  34.16755       4.367608  ?        ?        371.9793 25.10758 0.000000       25.10758 
1 1 1 -30 2  15 o 449.7218 26.62153 50.47563       5.606713  50.47563       5.606713  0.000000       0.000000  449.7218 26.62153 ?        ?        0.000000       26.62153 
1 1 1 -30 2  16 o 196.3383 26.86606 9.807874       2.416196  8.432994       2.906502  12.88347       4.347136  176.5964 36.20380 212.5713 44.88256 -35.97487      57.66420 
1 1 1 -30 2  17 o 380.1967 16.54900 34.95612       2.959712  36.84054       4.047721  32.79098       4.338745  385.3730 22.42547 360.5566 25.75062 24.81647       34.14669 
1 1 1 -30 2  18 o 208.2737 23.01443 10.92277       2.217106  8.368210       2.987621  14.05396       3.307673  172.6576 37.83046 230.5202 31.31355 -57.86261      49.10888 
1 1 1 -30 2  19 o 132.7018 37.07612 5.023821       2.403759  7.802357       2.955051  -0.4105233     4.132668  164.7690 38.77219 93.70534 42.65819 71.06367       57.64551 
1 1 1 -30 2  20 o 158.5902 34.92052 7.085483       2.534624  7.247325       3.724066  6.945816       3.459534  150.1656 47.25712 148.6154 45.34740 1.550171       65.49521 
1 1 1 -30 2  21 o 328.2931 21.72639 27.26331       3.336233  27.56160       3.756829  26.15042       7.256524  326.8889 24.61221 268.4726 59.06348 58.41626       63.98637 
1 1 1 -30 2  22 o 513.4579 14.92123 64.37773       3.603951  68.86240       5.198394  60.22742       5.000858  521.3640 21.19624 486.4873 21.85263 34.87665       30.44369 
1 1 1 -30 2  23 f 317.0624 17.58980 25.13713       2.613171  25.12595       3.669960  25.14864       3.721748  307.0225 25.64581 306.5939 26.05240 0.4285583      36.55729 
1 1 1 -30 2  24 o 84.03542 40.27133 -1.587640      4.560778  -2.689358      5.937769  -0.2426576E-02 7.122492  88.94923 43.40626 100.2089 48.59017 -11.25968      65.15450 
1 1 1 -30 2  25 o 85.56186 41.04240 -0.6326413     4.762568  6.082045       6.791797  -7.128419      6.680168  111.6086 52.16294 80.87224 40.55935 30.73634       66.07597 
1 1 1 -30 2  26 o 73.96449 36.56074 -3.518810      4.667830  2.658145       6.557594  -9.863259      6.645908  95.52950 46.39049 73.82642 37.41331 21.70308       59.59726 
1 1 1 -30 2  27 o 87.90234 43.61259 1.659037       6.875449  1.659037       6.875449  0.000000       0.000000  87.90234 43.61259 ?        ?        0.000000       43.61259 
1 1 1 -30 4  1  o 144.2822 45.62045 5.152669       3.467128  7.378101       5.318735  3.508219       4.572056  171.5863 56.69054 135.2632 51.64100 36.32312       76.68513 
1 1 1 -30 4  2  o 104.5931 43.37852 0.9405780      3.501181  -4.935256      5.229660  5.713435       4.713330  96.00822 45.15786 154.6019 53.36243 -58.59363      69.90552 
1 1 1 -30 4  3  o 382.8544 21.80795 35.05569       3.911259  38.91367       6.007944  32.21788       5.152731  399.6374 32.23296 364.1451 30.35778 35.49228       44.27819 
1 1 1 -30 4  4  o 94.12217 39.30302 0.6188828      2.902286  -0.7357440     4.809942  1.394451       3.639486  109.1607 48.10620 109.4208 44.67975 -0.2601624     65.65430 
1 1 1 -30 4  5  o 456.7139 17.34072 49.53428       3.725467  44.51150       6.154210  52.43951       4.680485  427.5469 30.80627 468.8000 21.22433 -41.25314      37.40987 
1 1 1 -30 4  6  o 315.2061 23.07364 23.91567       3.397437  13.99303       4.489190  37.21760       5.197705  233.7952 42.37962 391.4460 28.42118 -157.6508      51.02740 
1 1 1 -30 4  7  o 128.5230 52.43394 2.346382       5.006881  2.346382       5.006881  0.000000       0.000000  128.5230 52.43394 ?        ?        0.000000       52.43394 
1 1 1 -30 4  8  o 134.1071 39.62210 4.593127       2.672918  6.437950       4.979987  3.846611       3.167892  159.1904 54.85657 126.9290 43.75146 32.26134       70.16718 
1 1 1 -30 4  9  o 389.4772 16.94715 36.12898       3.104904  40.88794       4.715003  32.48519       4.125751  410.8782 24.50645 366.2678 24.08033 44.61041       34.35736 
1 1 1 -30 4  10 o 615.3861 14.70661 90.00317       4.257253  80.35945       5.683036  102.3357       6.426635  578.4442 20.88573 652.7355 20.93038 -74.29138      29.56847 
1 1 1 -30 4  11 o 222.8516 21.72041 12.08000       2.248005  15.61837       3.129191  8.306241       3.231600  251.6142 26.85272 177.5667 39.68703 74.04759       47.91794 
1 1 1 -30 4  12 o 355.3300 17.36702 30.23107       2.902862  24.59380       3.754681  38.60753       4.576873  316.4068 25.44163 397.3516 24.60746 -80.94479      35.39496 
1 1 1 -30 4  13 o 273.6950 19.63009 18.15733       2.510524  24.28223       3.491716  11.60252       3.612181  314.6295 23.76765 209.8080 37.99881 104.8216       44.81976 
1 1 1 -30 4  14 o 248.7724 21.36736 15.15247       2.476207  18.81717       3.345140  10.71023       3.682956  274.8165 26.19333 198.6995 40.77010 76.11700       48.45918 
1 1 1 -30 4  15 o 153.9331 40.43212 6.562738       2.965471  16.22473       4.835154  0.7369204      3.754528  241.3322 44.22142 100.3909 43.39294 140.9414       61.95548 
1 1 1 -30 4  16 o 303.1963 19.78675 22.50212       2.806596  20.43381       3.402484  26.90547       4.964552  285.1196 25.64309 320.6070 33.40908 -35.48734      42.11573 
1 1 1 -30 4  17 o 168.6190 30.56742 7.501608       2.335288  9.431116       2.951634  4.272373       3.818468  186.6661 34.89764 125.5421 47.36951 61.12399       58.83634 
1 1 1 -30 4  18 o 197.0016 25.69439 9.943751       2.324403  9.772641       2.964437  10.21686       3.745174  189.3504 34.55507 186.3913 43.50690 2.959045       55.55991 
1 1 1 -30 4  19 f 521.6979 16.02900 66.08125       3.933643  67.71124       4.730022  62.42569       7.083487  524.5765 19.16837 485.7422 31.16519 38.83423       36.58818 
1 1 1 -30 4  20 o 113.2309 35.33469 3.625949       2.086946  0.3607673      2.647815  8.981084       3.390933  82.04395 35.93638 172.6091 42.13163 -90.56511      55.37597 
1 1 1 -30 4  21 o 187.7902 29.16183 9.511051       2.492505  9.634365       3.523716  9.387568       3.526155  176.2115 42.91051 173.3574 43.35308 2.854111       60.99837 
1 1 1 -30 4  22 o 457.5258 15.48044 51.29016       3.331718  53.51065       4.596341  48.83172       4.836337  459.2134 21.27788 434.3232 23.76204 24.89029       31.89644 
1 1 1 -30 4  23 o 263.5799 25.85019 18.61394       3.163880  15.18728       6.451442  19.69905       3.630428  176.8197 62.34273 266.5307 29.44806 -89.71092      68.94784 
1 1 1 -30 4  24 o 132.7187 41.40229 6.104413       2.865482  4.316290       6.414941  6.550134       3.202768  110.8382 51.42826 134.1790 43.97519 -23.34072      67.66598 
1 1 1 -30 4  25 o 171.9778 54.45946 13.76453       4.939366  9.866232       6.942037  17.76159       7.029421  124.0066 55.98665 162.8906 63.53897 -38.88398      84.68593 
1 1 1 -30 4  26 o 114.0640 50.29787 7.628997       5.266137  6.420928       7.532187  8.784186       7.365495  103.7241 50.21338 110.1669 52.34187 -6.442749      72.53313 
1 1 1 -30 4  27 o 139.8496 61.50861 22.00357       7.827610  22.00357       7.827610  0.000000       0.000000  139.8496 61.50861 ?        ?        0.000000       61.50861 
1 1 1 -30 6  1  o 307.4864 27.84196 22.91291       3.983446  22.14288       5.889246  23.56232       5.408319  296.1111 43.58378 308.0021 38.14427 -11.89105      57.91832 
1 1 1 -30 6  2  o 421.2977 21.64478 42.44067       4.275064  41.75546       6.643935  42.92482       5.584776  412.7184 34.53930 421.2601 28.34785 -8.541656      44.68292 
1 1 1 -30 6  3  o 455.8905 23.38623 49.84174       4.998341  49.45267       6.914545  50.26754       7.233695  449.9122 32.89944 452.9482 34.20238 -3.035950      47.45710 
1 1 1 -30 6  4  o 234.5241 37.58782 13.82138       4.006658  14.42482       5.284358  13.00535       6.145093  234.7391 49.41899 219.1724 58.50842 15.56671       76.58637 
1 1 1 -30 6  5  o 207.3255 29.00176 10.58576       2.751016  8.825887       5.264259  11.24694       3.226666  182.3421 55.99162 212.3433 33.40674 -30.00122      65.20024 
1 1 1 -30 6  6  o 144.3931 54.44580 4.517418       5.042364  4.517418       5.042364  0.000000       0.000000  144.3931 54.44580 ?        ?        0.000000       54.44580 
1 1 1 -30 6  7  o 246.4631 47.92414 15.99116       5.356094  15.99116       5.356094  0.000000       0.000000  246.4631 47.92414 ?        ?        0.000000       47.92414 
1 1 1 -30 6  8  o 95.28452 39.44593 0.8957474      2.887567  10.92450       11.63904  0.2379905      2.980757  202.9368 80.95109 91.28471 39.04776 111.6521       89.87662 
1 1 1 -30 6  9  o 335.2417 21.29166 27.09759       3.340246  19.95561       5.718307  30.79667       4.115333  275.4382 45.73845 355.9905 24.72864 -80.55234      51.99530 
1 1 1 -30 6  10 o 490.4913 15.55057 57.29020       3.587955  55.36570       5.048257  59.25467       5.100414  479.0223 22.40353 495.8565 21.86654 -16.83426      31.30597 
1 1 1 -30 6  11 o 173.8723 27.66854 7.576938       2.187176  8.319565       2.967385  6.693583       3.236356  178.6966 36.53398 157.8969 42.59276 20.79979       56.11483 
1 1 1 -30 6  12 o 336.3962 17.16477 27.17814       2.707141  25.86120       3.565324  28.97109       4.160071  325.2218 23.46260 342.8596 25.98699 -17.63785      35.01167 
1 1 1 -30 6  13 o 332.8230 17.34425 26.67277       2.706029  26.95007       3.544891  26.28552       4.189074  331.7513 22.85486 324.6561 27.69482 7.095154       35.90749 
1 1 1 -30 6  14 o 194.2691 27.05903 9.532304       2.405639  8.739596       3.205740  10.55409       3.639584  179.5651 39.06359 196.7818 40.66329 -17.21671      56.38677 
1 1 1 -30 6  15 o 265.4848 20.01991 17.24537       2.481784  18.31432       3.098400  15.33189       4.145433  271.0378 24.56881 238.6429 38.21738 32.39490       45.43341 
1 1 1 -30 6  16 o 109.1127 36.66191 3.120022       2.222529  3.569840       2.695988  2.165874       3.926515  116.0590 40.34105 110.2315 45.84564 5.827515       61.06736 
1 1 1 -30 6  17 o 91.91230 35.92773 1.738664       2.251102  2.638657       2.743118  -0.1173557     3.939275  105.1637 40.03583 95.02114 42.59822 10.14259       58.45918 
1 1 1 -30 6  18 o 163.3594 33.82603 7.292217       2.513779  7.377274       2.716990  6.786564       6.624584  162.5737 36.43042 145.3169 59.91602 17.25676       70.12207 
1 1 1 -30 6  19 o 350.9185 16.91735 30.01983       2.792595  29.92916       3.546949  30.16769       4.529457  345.7206 21.92369 340.0433 28.58181 5.677277       36.02177 
1 1 1 -30 6  20 o 362.5881 16.84263 32.15823       2.872717  42.56350       4.034210  21.45444       4.091671  412.5094 20.85777 282.0777 31.36757 130.4317       37.66923 
1 1 1 -30 6  21 o 208.6060 27.78960 11.60339       2.659121  15.08026       3.877607  8.516764       3.653519  228.0709 37.44276 161.4205 45.92494 66.65042       59.25420 
1 1 1 -30 6  22 f 389.5244 16.97059 37.52561       3.109573  34.36564       3.996016  42.37663       4.951112  364.2125 23.44863 399.5621 26.49230 -35.34958      35.37909 
1 1 1 -30 6  23 o 149.9504 43.04399 7.628016       3.195374  9.881095       6.497453  6.909260       3.669829  140.3326 58.72074 136.7911 47.09363 3.541443       75.27241 
1 1 1 -30 6  24 o 145.1928 41.63847 7.321571       2.991393  16.97681       6.609952  4.834762       3.354578  174.8314 62.94656 114.6093 44.11815 60.22208       76.86794 
1 1 1 -30 6  25 o 199.0618 54.08144 17.56664       5.195809  26.55470       7.587042  9.628419       7.130187  206.7101 67.68021 120.4507 55.28424 86.25944       87.38969 
1 1 1 -30 6  26 o 125.7213 57.24673 14.36980       7.448270  14.36980       7.448270  0.000000       0.000000  125.7213 57.24673 ?        ?        0.000000       57.24673 
1 1 1 -30 6  27 o 160.6721 65.36735 26.89061       7.754191  26.89061       7.754191  0.000000       0.000000  160.6721 65.36735 ?        ?        0.000000       65.36735 
1 1 1 -30 8  1  o 397.3767 29.53429 38.37581       5.481292  0.000000       0.000000  38.37581       5.481292  ?        ?        397.3767 29.53429 0.000000       29.53429 
1 1 1 -30 8  2  o 443.1261 21.24772 46.87673       4.429034  33.08561       8.102018  52.75447       5.289309  358.3143 49.38028 468.5251 24.08060 -110.2108      54.93895 
1 1 1 -30 8  3  o 449.8276 18.07137 48.12787       3.823901  57.29311       7.182233  44.50212       4.517383  484.2979 31.70157 430.7276 22.37241 53.57028       38.80096 
1 1 1 -30 8  4  o 344.7321 19.76035 28.43452       3.191025  26.68927       6.138869  29.08067       3.735322  325.0121 41.06989 347.6112 22.97316 -22.59915      47.05849 
1 1 1 -30 8  5  o 63.32586 30.14483 -2.977262      2.466116  0.3844223      4.416204  -4.500595      2.972816  110.1379 47.33150 65.54645 31.68476 44.59146       56.95783 
1 1 1 -30 8  6  o 127.4222 52.73827 2.075565       5.159844  2.075565       5.159844  0.000000       0.000000  127.4222 52.73827 ?        ?        0.000000       52.73827 
1 1 1 -30 8  7  o 353.0174 37.23638 31.35604       6.090189  31.35604       6.090189  0.000000       0.000000  353.0174 37.23638 ?        ?        0.000000       37.23638 
1 1 1 -30 8  8  o 645.2955 17.24382 99.30907       5.234334  97.80309       8.041640  100.4162       6.894901  634.0982 26.95993 645.6251 22.70274 -11.52686      35.24560 
1 1 1 -30 8  9  o 581.1323 14.91553 80.33495       4.077398  83.70916       5.456986  76.07016       6.135005  590.7789 19.63625 561.0026 23.24774 29.77637       30.43090 
1 1 1 -30 8  10 o 159.2199 32.87607 6.521557       2.380764  8.957969       3.355499  4.051724       3.378435  184.1609 39.88810 128.2276 45.12472 55.93329       60.22708 
1 1 1 -30 8  11 o 124.3788 40.46245 3.983526       2.713394  3.873738       2.781375  6.147444       12.34820  123.2508 41.00871 174.7786 77.04810 -51.52782      87.28187 
1 1 1 -30 8  12 o 79.89639 32.75988 0.7512950      1.966809  2.285811       2.548460  -1.508923      3.092909  103.0667 38.73820 79.94392 36.58875 23.12283       53.28588 
1 1 1 -30 8  13 o 128.7962 33.45423 4.381546       2.045052  4.870192       2.505304  3.405742       3.540333  134.5395 37.94372 120.3756 45.56537 14.16395       59.29527 
1 1 1 -30 8  14 o 219.6779 25.92808 12.11877       2.627690  11.90250       3.466586  12.41086       4.028665  211.7314 36.10023 212.3352 41.82189 -0.6037903     55.24760 
1 1 1 -30 8  15 o 368.6035 16.58661 32.76027       2.875983  33.55419       3.562959  31.27572       4.872133  370.1256 20.54483 349.6696 29.90823 20.45596       36.28488 
1 1 1 -30 8  16 o 187.5317 27.80808 9.054093       2.378772  9.196151       2.802595  8.688046       4.498819  185.7206 33.30324 167.2337 51.82911 18.48685       61.60651 
1 1 1 -30 8  17 o 100.9651 36.06758 2.569748       2.166117  0.8966881      2.425142  9.170631       4.817065  85.38165 35.81032 168.2753 53.83365 -82.89360      64.65633 
1 1 1 -30 8  18 o 129.1194 37.59074 4.731289       2.421645  5.096574       2.535806  0.9461951      8.162788  133.5418 38.34836 124.4956 57.84955 9.046242       69.40582 
1 1 1 -30 8  19 o 132.8031 34.15767 4.944245       2.145970  1.938065       2.444842  15.03417       4.479065  94.19727 37.25028 224.3487 44.01408 -130.1514      57.66128 
1 1 1 -30 8  20 o 143.0207 32.39082 5.703571       2.128574  5.384179       2.464156  6.642499       4.224954  135.4823 37.42573 140.3795 50.34793 -4.897247      62.73435 
1 1 1 -30 8  21 o 100.2004 35.73246 2.790041       2.125176  1.187280       2.681023  5.499614       3.485914  87.28001 37.17572 129.3148 45.80134 -42.03480      58.98980 
1 1 1 -30 8  22 o 121.8201 42.29449 4.849858       2.962994  5.095125       5.473422  4.748188       3.524007  120.8570 52.31577 119.1824 45.37670 1.674629       69.25305 
1 1 1 -30 8  23 o 107.6357 42.75370 3.764852       3.233868  16.36445       6.023643  -1.337115      3.833096  188.1881 60.19891 80.26878 38.02618 107.9193       71.20322 
1 1 1 -30 8  24 o 148.5527 42.42832 7.865954       3.112131  11.74792       6.256138  6.589442       3.587507  142.0420 58.35577 128.3232 46.34951 13.71881       74.52297 
1 1 1 -30 8  25 o 57.21078 28.77437 -7.057204      3.491642  -2.302022      6.457360  -9.021998      4.150782  86.15092 42.65924 59.75048 30.20604 26.40043       52.27060 
1 1 1 -30 8  26 f 95.78681 46.40595 4.280619       6.462237  4.280619       6.462237  0.000000       0.000000  95.78681 46.40595 ?        ?        0.000000       46.40595 
1 1 1 -30 8  27 o 87.66793 43.41578 3.513674       6.696008  3.513674       6.696008  0.000000       0.000000  87.66793 43.41578 ?        ?        0.000000       43.41578 
1 1 1 -30 10 1  o 99.69745 41.14117 1.003209       3.126651  -2.082045      6.276912  2.021357       3.605836  117.3496 53.08556 113.4126 45.11490 3.936966       69.66656 
1 1 1 -30 10 2  o 103.0946 40.49369 1.738988       2.870929  -4.955410      5.984308  3.740344       3.272053  103.3473 48.51225 126.7031 44.41977 -23.35579      65.77655 
1 1 1 -30 10 3  o 108.9052 40.73393 2.391875       2.811130  -6.860880      6.166368  4.819348       3.158429  99.03387 47.28714 138.0141 43.53191 -38.98025      64.27364 
1 1 1 -30 10 4  o 123.1905 37.68609 3.815187       2.387369  6.266350       6.237646  3.394499       2.584130  162.2570 60.67963 118.5278 39.53220 43.72926       72.42108 
1 1 1 -30 10 5  o 288.6122 23.64090 20.18316       3.181420  17.72047       5.646169  21.32878       3.850947  258.8634 48.13935 295.0010 28.08998 -36.13760      55.73549 
1 1 1 -30 10 6  o 475.0652 30.19468 55.47100       6.712623  55.47100       6.712623  0.000000       0.000000  475.0652 30.19468 ?        ?        0.000000       30.19468 
1 1 1 -30 10 7  o 348.9765 20.88341 29.34777       3.412460  35.27933       6.234280  26.81035       4.077546  374.4049 35.83549 331.1212 26.39771 43.28369       44.50867 
1 1 1 -30 10 8  o 413.1900 19.10152 40.92101       3.712675  41.28693       6.289701  40.72533       4.599451  406.3092 33.19825 409.3606 23.99005 -3.051392      40.95908 
1 1 1 -30 10 9  o 236.9469 21.57293 13.65480       2.378188  14.03513       3.249997  13.21641       3.489269  236.8140 29.83701 227.9488 33.54375 8.865234       44.89354 
1 1 1 -30 10 10 o 252.4109 19.94630 15.43999       2.349021  17.07606       3.142436  13.36802       3.536384  263.0395 25.72597 228.4995 33.93117 34.54001       42.58109 
1 1 1 -30 10 11 o 121.9223 34.05068 3.888089       2.027894  5.213909       2.523038  1.468490       3.408420  139.8819 37.55408 103.7593 42.89720 36.12264       57.01297 
1 1 1 -30 10 12 o 338.7520 16.36075 27.52114       2.607080  27.64184       3.099979  27.22949       4.818678  337.5590 19.60717 327.1842 31.70666 10.37476       37.27940 
1 1 1 -30 10 13 f 126.9379 35.77200 4.312295       2.227628  8.935791       2.823874  -3.305155      3.624640  184.4546 33.79040 78.04086 36.97277 106.4138       50.08769 
1 1 1 -30 10 14 o 337.2546 16.73366 27.40672       2.654716  27.97762       3.170333  26.06713       4.856342  338.4972 19.99922 316.8880 33.06574 21.60916       38.64340 
1 1 1 -30 10 15 o 105.8483 33.39730 2.939956       1.858878  2.186683       2.102123  5.641459       3.980932  96.59642 35.38892 139.8865 48.99833 -43.29008      60.44181 
1 1 1 -30 10 16 o 59.87669 27.99314 -1.545810      1.958372  -2.249538      2.219547  0.9276390      4.161150  60.67942 28.80133 103.4358 45.18475 -42.75634      53.58337 
1 1 1 -30 10 17 o 67.65914 32.45483 -3.299644      2.978078  -3.299644      2.978078  0.000000       0.000000  67.65914 32.45483 ?        ?        0.000000       32.45483 
1 1 1 -30 10 18 o 154.7487 32.79510 6.542387       2.313116  6.261988       2.384308  11.02854       9.536996  150.2531 34.46693 162.2595 69.63810 -12.00636      77.70093 
1 1 1 -30 10 19 o 316.8480 19.04214 24.84794       2.824980  27.96617       3.347017  17.12449       5.267563  334.0358 21.41357 231.7961 49.79482 102.2397       54.20392 
1 1 1 -30 10 20 o 284.5458 20.45162 20.33676       2.719209  23.96288       3.209139  11.10552       5.120323  307.0916 22.36903 173.2208 55.51146 133.8708       59.84894 
1 1 1 -30 10 21 o 138.1495 43.69238 6.258121       3.180100  5.020809       4.685060  7.315249       4.330517  122.5164 50.43612 141.2461 50.93794 -18.72968      71.68316 
1 1 1 -30 10 22 o 74.02066 35.90955 -3.525263      3.902998  0.000000       0.000000  -3.525263      3.902998  ?        ?        74.02066 35.90955 0.000000       35.90955 
1 1 1 -30 10 23 o 80.89024 36.63488 0.4080821      2.999405  -6.010702      5.052985  3.900181       3.727047  75.56226 37.47280 107.4255 44.67125 -31.86326      58.30722 
1 1 1 -30 10 24 o 162.0943 43.64279 9.634618       3.401683  13.07075       6.412658  8.289102       4.012802  144.2367 59.14881 137.5568 49.09592 6.679977       76.86996 
1 1 1 -30 10 25 o 98.75163 43.43416 3.871339       3.903439  5.095125       6.671215  3.234245       4.813420  101.8831 48.79290 95.67959 44.44740 6.203476       66.00241 
1 1 1 -30 10 26 o 89.93781 44.18653 2.759513       6.475797  2.759513       6.475797  0.000000       0.000000  89.93781 44.18653 ?        ?        0.000000       44.18653 
1 1 1 -30 12 1  o 638.7267 17.34912 97.15222       5.212688  104.4887       10.57144  94.79539       5.991753  649.7064 34.71542 629.5370 20.23314 20.16943       40.18135 
1 1 1 -30 12 2  o 403.6949 20.36055 39.10126       3.853990  46.37337       8.408786  37.16742       4.336257  426.3035 42.49841 392.2287 23.61213 34.07477       48.61736 
1 1 1 -30 12 3  o 242.5013 24.27249 14.32042       2.731656  11.86088       6.918095  14.77472       2.973255  203.9450 64.43723 245.7011 26.12583 -41.75609      69.53212 
1 1 1 -30 12 4  o 120.5046 39.79687 3.578631       2.621209  3.478003       6.277480  3.599881       2.884728  142.9860 58.56580 122.0332 41.76424 20.95288       71.93194 
1 1 1 -30 12 5  o 245.6422 50.64803 16.36647       5.657961  16.36647       5.657961  0.000000       0.000000  245.6422 50.64803 ?        ?        0.000000       50.64803 
1 1 1 -30 12 6  o 128.3373 52.93990 2.505048       5.174764  2.505048       5.174764  0.000000       0.000000  128.3373 52.93990 ?        ?        0.000000       52.93990 
1 1 1 -30 12 7  o 318.2671 22.23322 24.57545       3.307702  21.07763       5.497109  26.56064       4.141307  283.5005 42.53252 328.5822 27.03297 -45.08160      50.39640 
1 1 1 -30 12 8  o 416.9654 17.32937 41.60892       3.399008  43.83263       4.824517  39.41736       4.789520  423.8287 24.30027 401.1065 25.51681 22.72220       35.23650 
1 1 1 -30 12 9  o 100.9224 35.43985 2.385980       2.083227  1.995011       2.726579  2.934305       3.228987  102.0567 39.63777 115.4168 43.55731 -13.36014      58.89306 
1 1 1 -30 12 10 f 365.9380 16.82247 32.09735       2.895787  30.43777       3.619764  35.04757       4.826239  353.4634 21.87794 375.7005 27.49956 -22.23709      35.14072 
1 1 1 -30 12 11 o 102.3908 34.64140 2.584287       1.984439  1.674236       2.391040  4.598692       3.557356  94.68955 37.02366 132.2928 46.31943 -37.60329      59.29790 
1 1 1 -30 12 12 o 134.4019 29.97688 4.701531       1.847000  4.637225       2.126674  4.898930       3.726023  132.1129 34.01647 134.8988 47.39508 -2.785965      58.33879 
1 1 1 -30 12 13 f 112.4946 35.12863 3.325712       2.062284  2.249153       2.384988  6.516053       4.105688  100.1703 37.50928 150.1199 49.81812 -49.94967      62.36018 
1 1 1 -30 12 14 o 140.8813 31.36403 5.246710       2.025087  5.245401       2.303994  5.251156       4.246173  139.2192 35.16977 137.3225 50.29837 1.896698       61.37458 
1 1 1 -30 12 15 o 248.0420 19.44944 15.08421       2.251163  12.95336       2.520680  23.48059       5.003665  227.3876 23.92466 295.7465 36.75957 -68.35887      43.85949 
1 1 1 -30 12 16 o 282.3064 18.47232 19.49394       2.439553  21.08439       2.794998  14.40662       4.998796  292.3915 20.44987 217.7268 49.87809 74.66473       53.90752 
1 1 1 -30 12 17 o 444.6705 17.78362 48.21278       3.719870  48.21278       3.719870  0.000000       0.000000  444.6705 17.78362 ?        ?        0.000000       17.78362 
1 1 1 -30 12 18 o 155.7292 31.54229 6.591082       2.231433  6.900785       2.481452  5.282339       5.101058  157.4596 34.45885 132.0399 53.26766 25.41966       63.44175 
1 1 1 -30 12 19 o 106.5062 36.05140 3.170153       2.149281  3.899948       2.376092  -0.1143442     5.040774  116.0354 37.86974 100.3310 46.20978 15.70438       59.74496 
1 1 1 -30 12 20 o 161.9260 32.22960 7.351336       2.368614  9.422822       2.685230  0.8833663E-01  5.028038  183.8286 32.22762 99.04726 45.80635 84.78139       56.00750 
1 1 1 -30 12 21 o 97.91885 41.71499 2.146969       3.376865  -0.6367421     5.116114  4.295937       4.495138  94.44782 44.49705 115.8567 48.68137 -21.40888      65.95349 
1 1 1 -30 12 22 o 100.8345 45.42284 2.232805       4.539740  0.000000       0.000000  2.232805       4.539740  ?        ?        100.8345 45.42284 0.000000       45.42284 
1 1 1 -30 12 23 o 87.35415 39.70864 1.057210       3.564281  -2.698276      5.963250  3.144607       4.445826  87.30837 42.79469 101.5986 45.42115 -14.29027      62.40566 
1 1 1 -30 12 24 o 159.6145 51.11272 11.53821       4.341625  13.81391       6.805322  9.976219       5.638056  138.8653 59.19027 129.3485 54.44405 9.516861       80.42166 
1 1 1 -30 12 25 o 73.54858 35.55444 -1.160350      3.744242  8.525565       6.407363  -6.183116      4.614031  109.7386 51.07910 66.82687 33.54166 42.91170       61.10742 
1 1 1 -30 14 1  o 426.9653 16.72866 43.44194       3.359874  35.64210       7.639594  45.31239       3.741104  370.2907 44.76798 435.5179 18.26099 -65.22726      48.34910 
1 1 1 -30 14 2  o 192.1670 26.63097 9.134068       2.342618  6.310940       6.054911  9.631050       2.540461  159.6602 59.76932 196.8311 28.24744 -37.17097      66.10816 
1 1 1 -30 14 3  f 99.52808 35.81925 2.182126       2.140151  2.106421       6.103723  2.192738       2.285232  133.1378 56.37562 100.9757 36.91248 32.16210       67.38503 
1 1 1 -30 14 4  o 122.5541 38.27588 3.826666       2.448260  4.060615       4.964530  3.751487       2.814273  137.4681 53.45959 122.8740 41.25495 14.59415       67.52702 
1 1 1 -30 14 5  o 285.1829 43.15923 21.38121       5.608812  21.38121       5.608812  0.000000       0.000000  285.1829 43.15923 ?        ?        0.000000       43.15923 
1 1 1 -30 14 6  o 343.3854 36.51598 30.09706       5.807894  30.09706       5.807894  0.000000       0.000000  343.3854 36.51598 ?        ?        0.000000       36.51598 
1 1 1 -30 14 7  o 190.9162 29.81842 9.208844       2.590356  13.15520       4.082207  6.548752       3.351549  223.2623 40.35494 155.4406 43.90358 67.82166       59.63259 
1 1 1 -30 14 8  o 112.9231 37.20032 3.209584       2.290850  7.734034       3.551476  -0.1435493E-01 2.997916  168.0174 44.30264 88.23666 38.45404 79.78075       58.66376 
1 1 1 -30 14 9  o 461.0126 15.70482 50.82278       3.405768  53.65213       4.379230  46.49228       5.417813  471.4265 19.74761 433.5600 26.69450 37.86655       33.20488 
1 1 1 -30 14 10 o 54.14456 26.27215 -3.271713      2.091859  -1.975514      2.706976  -5.193223      3.295868  71.34679 33.20632 66.79041 32.53697 4.556381       46.48993 
1 1 1 -30 14 11 o 228.8468 21.75200 12.86318       2.313445  15.31048       2.919951  8.736624       3.791622  248.0140 25.38599 176.1226 45.45766 71.89142       52.06580 
1 1 1 -30 14 12 o 119.8356 34.29160 3.810586       2.030939  2.946148       2.407277  5.945304       3.782941  108.7736 38.10225 145.0907 47.80420 -36.31715      61.13120 
1 1 1 -30 14 13 o 123.1512 32.14378 4.026061       1.881987  5.567829       2.130598  -1.447979      4.014634  145.1063 32.06758 90.68867 41.57220 54.41763       52.50312 
1 1 1 -30 14 14 o 209.9829 20.96809 10.89048       2.043459  11.84665       2.305300  7.384067       4.414602  218.1645 22.80017 156.2079 51.64968 61.95663       56.45828 
1 1 1 -30 14 15 o 108.1186 34.47281 3.109089       1.976545  0.9224148      2.222429  11.38328       4.323134  83.50970 34.59146 195.5602 47.47255 -112.0505      58.73851 
1 1 1 -30 14 16 o 277.1727 20.87416 19.03926       2.701649  20.60571       2.788898  -4.827587      10.88611  288.5317 20.68527 123.2413 59.83015 165.2904       63.30503 
1 1 1 -30 14 17 o 152.2191 31.16441 6.261553       2.156386  6.119208       2.320733  7.161119       5.834059  148.7227 33.92345 145.7872 57.57715 2.935425       66.82761 
1 1 1 -30 14 18 o 104.5265 35.91529 2.996031       2.133914  2.121737       2.265906  9.851368       6.344941  94.39114 36.27870 158.7557 60.78115 -64.36456      70.78484 
1 1 1 -30 14 19 o 131.2552 37.22883 5.104639       2.404685  5.230587       2.681055  4.586476       5.438025  131.0415 39.90623 123.4356 52.76956 7.605896       66.15991 
1 1 1 -30 14 20 f 97.41182 41.41498 2.022934       3.316222  -0.4675981     4.456474  5.113277       4.964193  91.53860 42.60480 122.5767 51.31198 -31.03813      66.69398 
1 1 1 -30 14 21 o 64.48026 31.63706 -4.380058      3.285087  -4.414388      4.582864  -4.343774      4.711433  77.30092 37.81006 78.55226 38.40407 -1.251343      53.89317 
1 1 1 -30 14 22 o 117.9175 46.71656 5.352676       3.851914  10.61831       6.200931  2.044195       4.915253  140.0257 57.87310 99.07670 45.63160 40.94903       73.69897 
1 1 1 -30 14 23 o 86.32968 43.04141 -4.476814      7.035916  0.000000       0.000000  -4.476814      7.035916  ?        ?        86.32968 43.04141 0.000000       43.04141 
1 1 1 -30 14 24 o 113.0333 48.41230 6.669649       4.592380  6.649822       6.581019  6.688467       6.411510  106.2821 50.19197 106.7418 50.14032 -0.4596252     70.94565 
1 1 1 -30 16 1  o 78.37165 32.72197 0.4643994      2.011366  -3.017242      5.983698  0.9079044      2.135634  108.3887 50.07151 84.73216 34.36681 23.65653       60.73083 
1 1 1 -30 16 2  o 328.3103 17.28590 25.82046       2.660193  34.00714       7.405511  24.60756       2.850450  359.8135 44.71742 319.8695 19.02988 39.94403       48.59819 
1 1 1 -30 16 3  o 113.3389 36.97559 3.197771       2.265292  1.416991       5.193998  3.616069       2.517326  121.3350 51.71401 119.8036 38.97310 1.531433       64.75524 
1 1 1 -30 16 4  o 219.9371 27.47253 12.01891       2.780286  8.152640       4.484848  14.43223       3.543309  171.2320 51.49490 238.9803 32.35094 -67.74826      60.81371 
1 1 1 -30 16 5  o 139.6828 50.98528 4.863760       4.357515  4.863760       4.357515  0.000000       0.000000  139.6828 50.98528 ?        ?        0.000000       50.98528 
1 1 1 -30 16 6  o 90.33837 35.83634 1.324739       2.269339  1.132477       4.178501  1.405173       2.702660  109.5766 46.53543 96.23459 38.79057 13.34205       60.58263 
1 1 1 -30 16 7  o 312.5664 20.85831 23.71210       3.049225  29.04841       4.606720  19.55113       4.067884  341.3830 28.95984 278.1132 31.65825 63.26978       42.90591 
1 1 1 -30 16 8  o 525.3736 19.61667 66.59076       4.848002  52.63292       6.709691  81.83710       7.012554  457.3637 31.37658 577.1298 25.83054 -119.7661      40.64119 
1 1 1 -30 16 9  o 203.2030 28.09565 10.40900       2.613737  11.70973       3.453642  8.665280       3.998744  211.4923 36.00473 175.2874 47.36995 36.20491       59.50002 
1 1 1 -30 16 10 o 270.7946 20.50042 17.87992       2.592036  18.32692       3.283157  17.14031       4.223230  271.2925 26.04692 256.0359 36.06434 15.25653       44.48684 
1 1 1 -30 16 11 o 206.6841 26.25560 10.73600       2.495093  15.24029       3.033264  1.310939       4.387720  246.5360 26.57545 110.3213 47.28789 136.2147       54.24389 
1 1 1 -30 16 12 o 301.5127 17.61144 22.01619       2.487006  22.68576       2.865208  19.97028       5.008459  304.7657 20.09860 271.3102 40.48244 33.45554       45.19715 
1 1 1 -30 16 13 o 172.7746 25.11563 7.553114       1.981462  7.712627       2.163095  6.721166       4.939986  173.5013 27.41422 150.0223 54.35803 23.47903       60.87967 
1 1 1 -30 16 14 o 251.9682 19.05267 15.55325       2.241557  15.51952       2.421658  15.75505       5.923274  250.7923 20.71253 221.8032 56.58747 28.98903       60.25903 
1 1 1 -30 16 15 o 227.8081 20.53373 12.85900       2.176774  13.03301       2.351884  11.81926       5.748956  228.4137 22.16807 185.6542 58.74935 42.75958       62.79259 
1 1 1 -30 16 16 o 286.1181 17.84688 20.06588       2.390044  20.17012       2.552060  19.32224       6.816503  286.0451 19.07590 233.8386 61.24217 52.20654       64.14432 
1 1 1 -30 16 17 o 54.64517 26.55814 -3.145503      2.160950  -3.097782      2.342188  -3.418550      5.602535  57.93912 28.03660 93.58721 44.79205 -35.64809      52.84296 
1 1 1 -30 16 18 o 258.0672 23.82980 17.11339       2.860155  18.43308       3.151978  10.96017       6.806110  266.3238 25.47021 159.7707 62.46637 106.5531       67.45946 
1 1 1 -30 16 19 o 247.2570 24.35696 15.94023       2.796175  21.67953       3.392344  3.777470       4.938403  287.4650 25.34624 115.3290 49.80813 172.1360       55.88633 
1 1 1 -30 16 20 o 247.7714 37.53360 18.48072       4.237629  30.11296       6.282969  8.773314       5.739644  302.0938 45.63595 140.1377 56.51442 161.9561       72.63966 
1 1 1 -30 16 21 o 140.2893 47.86138 7.631433       3.788373  13.83769       5.674621  2.641348       5.088336  170.6619 58.57195 103.1337 47.09876 67.52818       75.15961 
1 1 1 -30 16 22 o 112.3924 46.46173 5.101274       3.997817  12.08086       6.243635  0.2513014      5.204660  142.1920 58.34342 90.96146 43.43568 51.23050       72.73660 
1 1 1 -30 18 1  o 110.9127 42.41212 2.488965       3.087005  -0.9149823     6.096479  3.662671       3.579872  117.5786 52.83227 125.6785 46.16093 -8.099892      70.15753 
1 1 1 -30 18 2  f 374.4316 16.44157 33.46901       2.895911  32.10464       7.281677  33.72534       3.156250  348.0552 45.56931 375.3589 17.87539 -27.30365      48.94989 
1 1 1 -30 18 3  o 205.5622 27.99951 10.54495       2.637028  16.81635       5.210810  8.385851       3.057448  249.9976 46.00503 178.9692 37.51664 71.02840       59.36296 
1 1 1 -30 18 4  o 420.2347 27.23207 43.51121       5.354245  43.51121       5.354245  0.000000       0.000000  420.2347 27.23207 ?        ?        0.000000       27.23207 
1 1 1 -30 18 5  o 134.0685 49.88322 4.344965       4.204923  4.344965       4.204923  0.000000       0.000000  134.0685 49.88322 ?        ?        0.000000       49.88322 
1 1 1 -30 18 6  o 281.7366 23.45295 19.44441       3.079968  14.58778       4.434301  23.97146       4.281199  233.8066 41.85490 309.3978 29.78364 -75.59117      51.37020 
1 1 1 -30 18 7  o 193.7042 31.74776 9.613566       2.792572  3.816477       3.939329  15.46968       3.959333  127.2774 48.09180 244.4651 35.46516 -117.1877      59.75449 
1 1 1 -30 18 8  o 94.09671 37.47664 1.499546       2.490994  -0.2173369E-01 3.569259  2.944114       3.478105  94.77177 41.61199 116.3298 44.88311 -21.55807      61.20500 
1 1 1 -30 18 9  f 53.54736 26.33514 -4.462798      2.319413  -4.594510      3.113068  -4.298455      3.477376  66.04510 32.04728 72.41096 34.82117 -6.365868      47.32380 
1 1 1 -30 18 10 o 327.8249 18.90592 26.07864       2.903104  25.03285       3.514145  28.32640       5.151963  318.4377 23.62838 331.2115 33.52918 -12.77383      41.01837 
1 1 1 -30 18 11 o 122.4354 41.33854 3.997747       2.825845  4.387634       3.633207  3.400714       4.495936  128.6279 46.61547 124.1618 50.03692 4.466110       68.38638 
1 1 1 -30 18 12 o 297.0899 18.08994 21.46111       2.516058  24.16724       2.874396  12.59215       5.203654  314.4895 19.52641 201.8869 53.81502 112.6026       57.24804 
1 1 1 -30 18 13 o 253.5585 19.18792 15.76154       2.271683  15.80371       2.482138  15.54400       5.637325  252.8629 21.05903 222.7242 54.29818 30.13873       58.23895 
1 1 1 -30 18 14 o 81.05775 32.85546 1.054590       1.950587  0.5119487      2.121288  4.024971       4.963056  77.93752 33.12915 126.5510 51.98214 -48.61353      61.64158 
1 1 1 -30 18 15 o 105.5957 36.26825 2.990474       2.175958  2.990474       2.175958  0.000000       0.000000  105.5957 36.26825 ?        ?        0.000000       36.26825 
1 1 1 -30 18 16 o 94.22458 34.63678 2.224746       2.016143  1.658815       2.137164  6.801427       6.077590  88.43584 34.87335 140.6955 57.62651 -52.25970      67.35700 
1 1 1 -30 18 17 o 228.2868 22.64596 13.30292       2.399784  11.74418       2.556380  24.86921       6.963617  211.6201 26.24338 264.3859 57.61979 -52.76576      63.31473 
1 1 1 -30 18 18 o 97.52736 38.06535 2.474574       2.524045  3.156389       2.749615  -1.176873      6.363139  105.3109 40.08528 101.2220 48.24977 4.088875       62.72854 
1 1 1 -30 18 19 o 119.6804 45.39076 4.881027       3.517603  3.736623       5.047211  5.961900       4.905115  112.2755 49.38572 125.3195 51.60052 -13.04396      71.42522 
1 1 1 -30 18 20 o 305.4626 48.14383 32.87753       6.688738  32.87753       6.688738  0.000000       0.000000  305.4626 48.14383 ?        ?        0.000000       48.14383 
1 1 1 -30 20 1  o 206.9297 24.15182 10.53856       2.306713  3.909037       6.075668  11.65511       2.493408  141.4035 57.73241 217.4818 24.81697 -76.07829      62.84038 
1 1 1 -30 20 2  o 214.9825 22.79944 11.32110       2.270478  7.000596       6.114128  12.01220       2.445337  161.5246 60.14069 221.0915 23.89232 -59.56693      64.71279 
1 1 1 -30 20 3  o 233.0920 27.22473 13.51686       2.928869  12.07594       5.062100  14.24197       3.590972  206.2316 52.14843 236.3291 33.21886 -30.09746      61.83002 
1 1 1 -30 20 4  o 256.2927 51.20064 18.41790       5.956800  18.41790       5.956800  0.000000       0.000000  256.2927 51.20064 ?        ?        0.000000       51.20064 
1 1 1 -30 20 5  o 300.2594 23.68432 22.11835       3.318076  24.35285       5.014124  20.37753       4.425705  307.7497 35.27293 282.0800 34.04161 25.66965       49.02052 
1 1 1 -30 20 6  o 77.53005 34.28741 -0.3907434     2.464670  0.5369043      3.839302  -1.041023      3.214479  101.3763 43.84940 84.19773 38.04789 17.17854       58.05524 
1 1 1 -30 20 7  o 151.9023 39.24260 6.255950       2.823985  5.310518       4.221954  7.021404       3.798898  140.6148 50.34087 157.6829 47.38752 -17.06813      69.13596 
1 1 1 -30 20 8  o 284.5653 30.92497 20.64693       4.072983  20.64693       4.072983  0.000000       0.000000  284.5653 30.92497 ?        ?        0.000000       30.92497 
1 1 1 -30 20 9  o 134.4727 38.27820 4.923922       2.537464  6.133346       3.187346  2.830856       4.193064  147.9102 43.14472 118.6239 48.14035 29.28631       64.64487 
1 1 1 -30 20 10 o 198.5127 30.89309 10.22687       2.791008  12.15913       3.571039  7.193818       4.474052  212.7123 37.03437 155.2219 52.01727 57.49045       63.85406 
1 1 1 -30 20 11 o 271.3630 21.31993 18.17039       2.699574  18.45016       3.157848  17.41082       5.203197  271.0914 25.04633 245.4804 46.76696 25.61102       53.05156 
1 1 1 -30 20 12 o 199.3416 25.22984 10.08793       2.312857  11.49640       2.611970  4.973247       4.977412  212.0159 26.78748 134.2088 53.12576 77.80710       59.49718 
1 1 1 -30 20 13 o 207.0619 24.05673 10.85995       2.299513  12.83432       2.510205  0.5576695      5.734049  225.2744 24.06014 111.6183 50.59324 113.6561       56.02291 
1 1 1 -30 20 14 o 295.1594 20.49897 21.65317       2.828501  21.65317       2.828501  0.000000       0.000000  295.1594 20.49897 ?        ?        0.000000       20.49897 
1 1 1 -30 20 15 o 190.8586 26.15064 9.496481       2.286071  10.79347       2.436831  -0.2322830E-01 6.601893  203.7177 26.02351 110.5702 51.59381 93.14758       57.78533 
1 1 1 -30 20 16 o 282.2249 20.54837 20.03365       2.709250  22.04829       2.936160  8.489894       7.028372  295.4594 21.26803 144.2428 60.75421 151.2166       64.36927 
1 1 1 -30 20 17 o 275.4702 21.64008 19.37317       2.781590  21.38584       3.075406  10.32402       6.521096  288.1818 22.87452 151.2988 60.51177 136.8831       64.69094 
1 1 1 -30 20 18 o 178.5671 41.01471 10.14108       3.372614  10.20149       3.898460  9.961356       6.724053  170.8589 47.02332 142.4885 59.68838 28.37042       75.98615 
1 1 1 -30 22 1  o 216.6326 25.08991 11.62609       2.509448  12.25922       6.356987  11.50922       2.731263  200.4643 61.52448 214.3573 27.73718 -13.89297      67.48787 
1 1 1 -30 22 2  o 203.8988 25.97658 10.36238       2.434937  13.93579       6.240979  9.720778       2.644515  214.5833 59.66637 195.7742 29.64345 18.80911       66.62440 
1 1 1 -30 22 4  o 299.6353 27.89489 22.46162       3.886589  22.46162       3.886589  0.000000       0.000000  299.6353 27.89489 ?        ?        0.000000       27.89489 
1 1 1 -30 22 5  o 219.5925 27.47490 12.13808       2.775949  10.12425       3.421542  16.01665       4.748386  194.1625 38.81846 242.1114 43.28141 -47.94893      58.13909 
1 1 1 -30 22 6  o 179.9331 34.16373 8.523510       2.785895  3.710482       3.417773  18.05292       4.809135  122.1257 45.06480 258.4897 40.91279 -136.3639      60.86619 
1 1 1 -30 22 7  o 77.46490 34.61757 -0.5537893     2.579597  -1.398208      3.173041  1.092152       4.430003  80.77332 37.00187 108.8354 47.08887 -28.06203      59.88740 
1 1 1 -30 22 8  o 235.0039 26.49149 13.93801       2.877444  11.15381       3.433862  20.50238       5.272656  203.3983 37.26260 272.4082 42.53758 -69.00987      56.55039 
1 1 1 -30 22 9  o 131.3942 39.45793 4.793607       2.634611  7.541878       3.182554  -1.191142      4.696442  163.3267 41.37598 98.15864 44.98451 65.16810       61.11938 
1 1 1 -30 22 10 o 89.74729 37.87988 0.9366376      2.741437  1.196999       3.193772  0.2077884      5.343603  96.47986 40.81248 109.0673 49.19211 -12.58749      63.91809 
1 1 1 -30 22 11 o 64.27206 30.37006 -2.154184      2.415768  -2.285052      2.686398  -1.601070      5.522814  67.90005 32.06659 101.8648 47.41690 -33.96473      57.24184 
1 1 1 -30 22 12 o 129.4010 37.23183 4.750987       2.388192  5.297742       2.597744  1.766350       6.069401  135.7577 38.76015 117.7484 52.82507 18.00933       65.51974 
1 1 1 -30 22 13 f 357.7165 18.06051 31.45481       3.029229  33.60865       3.394397  23.02913       6.713637  368.3282 19.66218 261.7373 56.20687 106.5909       59.54673 
1 1 1 -30 22 14 o 97.24862 37.99763 2.279341       2.517149  2.279341       2.517149  0.000000       0.000000  97.24862 37.99763 ?        ?        0.000000       37.99763 
1 1 1 -30 22 15 o 69.33578 31.50076 -0.5450540     2.239162  -0.3243015     2.438438  -1.732461      5.655341  73.59362 33.20795 96.64529 45.90205 -23.05167      56.65480 
1 1 1 -30 24 1  o 133.7209 36.77158 4.798142       2.385080  -1.051427      5.429422  6.196876       2.654967  107.6769 48.97076 151.6233 37.44580 -43.94640      61.64676 
1 1 1 -30 24 2  o 187.8281 30.44317 9.075923       2.597731  3.255054       5.480707  10.76251       2.950167  129.8555 54.09890 204.1304 31.75568 -74.27492      62.73048 
1 1 1 -30 24 3  o 95.44479 42.26091 -0.1075545     3.755268  -0.1075545     3.755268  0.000000       0.000000  95.44479 42.26091 ?        ?        0.000000       42.26091 
1 1 1 -30 24 4  o 120.7693 39.35728 3.887702       2.566775  3.556527       3.124635  4.574911       4.501055  118.7030 43.19759 133.3158 51.15699 -14.61270      66.95573 
1 1 1 -30 24 5  o 136.8825 39.51061 5.174176       2.685611  3.553419       3.198727  9.045779       4.943831  118.5760 43.62201 171.3155 54.50904 -52.73949      69.81487 
1 1 1 -30 24 6  o 170.6194 37.19120 7.944752       2.900698  9.538989       3.501751  4.458978       5.177956  184.5478 41.36113 133.4191 53.72258 51.12871       67.80014 
1 1 1 -30 24 7  o 100.4458 39.79265 2.053850       2.794608  3.202125       3.284085  -0.9601666     5.320645  114.5161 43.75574 104.3358 47.83944 10.18028       64.83191 
1 1 1 -30 24 8  o 251.3877 27.24333 16.15157       3.170062  16.58694       3.533341  14.35494       7.177703  252.4334 30.36480 197.6980 65.88250 54.73537       72.54326 
1 1 1 -30 24 9  o 123.8938 43.44155 4.327269       3.129582  4.089561       3.723832  4.898930       5.774817  122.7543 46.66732 134.2992 55.70555 -11.54485      72.67013 
1 1 1 -30 24 10 o 202.1041 30.73956 10.84604       2.830306  14.92982       3.226733  -2.777943      5.893647  238.7119 29.35410 99.51199 47.14517 139.1999       55.53675 
1 1 1 -30 24 11 o 83.00865 35.63861 0.6470502      2.499461  -0.2225059E-01 2.772459  3.552319       5.776272  81.32304 36.14514 123.3340 53.56558 -42.01095      64.61999 
1 1 1 -29 1  1  o 265.8933 32.11610 17.19779       3.935598  16.20888       5.575498  18.17983       5.556106  252.8938 48.63414 269.2953 45.48026 -16.40144      66.58629 
1 1 1 -29 1  2  o 358.1719 23.82440 30.65284       3.991153  37.11624       5.890561  25.16744       5.426625  391.8682 32.24168 320.8466 36.61087 71.02155       48.78403 
1 1 1 -29 1  3  o 241.7164 33.26863 14.30884       3.682528  16.37917       5.495087  12.62109       4.961463  254.1750 47.71148 222.1341 48.81395 32.04088       68.25824 
1 1 1 -29 1  4  o 282.6207 27.20599 19.26577       3.572225  19.53589       5.179167  19.02066       4.933556  280.5500 40.41042 277.2861 38.89339 3.263885       56.08652 
1 1 1 -29 1  5  o 593.1041 16.18084 83.25496       4.514411  78.95846       6.634236  86.96001       6.160713  575.2848 24.51538 604.6711 21.65920 -29.38629      32.71277 
1 1 1 -29 1  6  o 409.7281 16.99544 39.77756       3.275650  43.34617       4.936322  36.96978       4.378600  425.2669 24.78330 392.9283 23.80159 32.33859       34.36172 
1 1 1 -29 1  7  o 489.5874 16.03209 56.78062       3.692238  58.40140       4.708126  54.19144       5.950671  495.4916 20.19958 474.5799 26.76476 20.91171       33.53171 
1 1 1 -29 1  8  o 576.9435 15.69353 78.87810       4.259154  77.58316       6.236039  80.01030       5.831044  569.6473 23.27199 579.2160 21.40112 -9.568726      31.61635 
1 1 1 -29 1  9  o 306.7846 19.07774 22.49070       2.739514  21.41546       3.909577  23.52795       3.839880  296.5099 28.37643 311.5904 26.44758 -15.08057      38.79042 
1 1 1 -29 1  10 o 478.9398 45.54713 58.53173       10.13796  51.69442       13.21488  68.31154       15.80467  430.9962 67.38772 493.2279 70.09087 -62.23175      97.23083 
1 1 1 -29 1  11 o 66.23447 29.94511 -0.9563642     1.993949  -0.2127610E-01 2.856852  -1.844553      2.784287  87.68706 37.87684 74.65408 34.36869 13.03298       51.14550 
1 1 1 -29 1  12 o 68.67023 30.52499 -0.5771388     1.977875  -2.117352      2.663293  1.316930       2.953428  70.89581 32.97670 99.39838 40.37944 -28.50257      52.13408 
1 1 1 -29 1  13 o 67.40855 30.63512 -1.077558      2.119984  -2.521925      3.042768  0.2850199      2.955362  74.67100 34.90435 90.60233 38.82174 -15.93133      52.20576 
1 1 1 -29 1  14 o 101.4007 36.12677 2.356982       2.171853  -2.431466      2.938749  8.119964       3.223953  73.17331 34.23547 174.5958 40.09917 -101.4225      52.72580 
1 1 1 -29 1  15 o 356.0772 16.94779 30.40421       2.838746  30.11529       3.787651  30.77450       4.287916  350.8495 23.07865 352.8609 26.01641 -2.011414      34.77755 
1 1 1 -29 1  16 o 501.5105 15.98423 60.32644       3.770865  64.35791       6.377097  58.15897       4.675931  508.6066 26.74855 489.5121 20.30652 19.09454       33.58332 
1 1 1 -29 1  17 o 258.4665 22.70560 16.53215       2.732632  16.58797       3.334315  16.41796       4.768904  255.5567 28.20642 242.8473 43.33571 12.70940       51.70673 
1 1 1 -29 1  18 o 328.1659 17.38595 26.15430       2.674298  27.55049       3.679455  24.59080       3.893687  332.4296 23.68445 311.5105 26.83352 20.91913       35.79094 
1 1 1 -29 1  19 o 391.9952 23.52526 38.46307       4.317883  0.000000       0.000000  38.46307       4.317883  ?        ?        391.9952 23.52526 0.000000       23.52526 
1 1 1 -29 1  20 o 206.5813 22.35246 10.74669       2.137492  10.93284       2.946478  10.53989       3.105531  201.7174 32.12988 195.8015 35.00179 5.915817       47.51268 
1 1 1 -29 1  21 o 462.5601 17.71571 52.44418       3.854748  46.93817       5.238237  58.94769       5.692986  426.8868 26.21255 479.9202 25.30695 -53.03339      36.43541 
1 1 1 -29 1  22 o 268.7270 18.53009 17.92753       2.328069  15.42220       3.256428  20.54667       3.329563  239.8583 29.48210 281.4527 25.42296 -41.59444      38.92969 
1 1 1 -29 1  23 o 336.3734 16.59625 27.85238       2.626037  26.34863       3.629569  29.50424       3.804132  318.3659 24.42206 337.3357 24.13247 -18.96979      34.33385 
1 1 1 -29 1  24 o 260.5804 26.02136 18.16957       3.146985  18.67070       3.436715  15.56778       7.830797  261.2110 28.42839 165.1414 66.21755 96.06964       72.06204 
1 1 1 -29 1  25 o 135.9819 53.71761 8.484049       5.079271  13.47503       7.377489  3.986326       7.003448  148.1151 62.30753 111.0411 52.23800 37.07395       81.30829 
1 1 1 -29 1  26 o 111.9820 49.36345 5.594873       5.068156  16.81035       7.501070  -3.825803      6.874727  152.3923 63.37199 87.28831 43.35928 65.10396       76.78565 
1 1 1 -29 1  27 o 151.9361 55.19930 12.99173       5.099015  15.31510       7.370574  10.85910       7.061540  133.6643 59.19396 118.7143 54.68283 14.95002       80.58620 
1 1 1 -29 1  28 o 110.1755 52.37059 11.97979       7.390316  11.97979       7.390316  0.000000       0.000000  110.1755 52.37059 ?        ?        0.000000       52.37059 
1 1 1 -29 3  1  o 406.1873 23.07889 39.35483       4.391516  36.50490       6.503624  41.74326       5.953816  387.2307 36.12092 416.2053 30.62528 -28.97467      47.35640 
1 1 1 -29 3  2  o 202.8024 40.07977 10.32247       3.687997  11.42782       5.489983  9.413430       4.978659  209.9380 54.95069 191.3141 53.32564 18.62393       76.57155 
1 1 1 -29 3  3  o 454.0121 20.38268 48.92765       4.353095  46.01509       6.617088  51.14984       5.779904  436.1202 32.48756 461.9659 26.71152 -25.84567      42.05885 
1 1 1 -29 3  4  o 429.8530 19.24206 43.83381       3.890817  38.04990       5.871621  48.36177       5.195161  396.4032 31.75506 449.6315 24.65659 -53.22830      40.20362 
1 1 1 -29 3  5  o 226.7010 27.22208 12.47515       2.844932  12.84058       4.926572  12.29233       3.484668  223.4658 48.27728 223.0255 34.31522 0.4402924      59.23032 
1 1 1 -29 3  6  o 356.2814 19.85881 30.25959       3.315014  35.44397       4.652615  24.91380       4.724487  383.9532 25.91182 319.7258 31.83624 64.22739       41.04837 
1 1 1 -29 3  7  o 112.2604 36.35307 3.010232       2.191569  2.904594       3.149554  3.109394       3.051467  118.1442 43.31223 119.4859 42.79528 -1.341698      60.88830 
1 1 1 -29 3  8  o 136.7505 34.69019 4.736366       2.235003  6.233167       3.679851  3.861475       2.813360  155.9912 46.58500 126.2407 41.20755 29.75047       62.19505 
1 1 1 -29 3  9  o 83.57274 36.93439 -0.6553932     2.855104  -1.369899      2.934463  12.02140       12.36034  80.22108 36.29258 215.2773 84.17713 -135.0562      91.66756 
1 1 1 -29 3  10 o 247.8903 64.26618 17.33368       7.556277  10.52913       9.198852  31.45066       13.24967  198.7559 73.81441 316.2082 86.55175 -117.4523      113.7531 
1 1 1 -29 3  11 o 307.4797 24.38634 22.93487       3.498280  3.611772       9.339052  26.08872       3.772984  162.2721 69.25731 327.9516 24.63719 -165.6795      73.50895 
1 1 1 -29 3  12 o 336.8221 17.47948 27.14476       2.759960  29.09361       3.825923  25.03016       3.985300  346.3466 23.62414 319.7670 26.74007 26.57956       35.68097 
1 1 1 -29 3  13 o 315.3711 17.82598 23.86713       2.633676  21.94105       3.438807  26.59967       4.095942  299.6399 24.61469 329.0457 26.69238 -29.40582      36.30931 
1 1 1 -29 3  14 o 346.5475 17.56387 28.84943       2.853848  33.58649       3.818088  22.85243       4.295942  371.8630 21.92397 301.8438 30.68221 70.01913       37.71019 
1 1 1 -29 3  15 f 165.5153 28.27080 6.958026       2.122091  9.888469       2.763091  2.743752       3.313522  196.7343 30.87328 113.5004 43.80360 83.23390       53.59025 
1 1 1 -29 3  16 o 172.2654 33.20498 7.782233       2.593175  9.004163       4.029888  6.918696       3.387743  177.2137 47.41299 157.0158 44.06703 20.19798       64.72939 
1 1 1 -29 3  17 o 168.2355 31.75243 7.434128       2.420713  5.315543       2.817712  13.40369       4.729822  138.2132 40.63752 214.7450 48.02586 -76.53177      62.91177 
1 1 1 -29 3  18 o 166.6911 35.72734 7.574483       2.717223  6.813318       3.289528  9.209275       4.820869  153.2704 43.56718 170.5451 53.78056 -17.27473      69.21306 
1 1 1 -29 3  19 o 100.6357 34.66553 2.619122       1.988596  2.159388       2.513944  3.387711       3.250496  98.28667 38.09212 114.6766 43.59962 -16.38996      57.89591 
1 1 1 -29 3  20 o 342.1429 18.41966 28.74656       2.953629  24.05160       3.455929  41.46849       5.688863  308.3582 24.01478 396.8460 30.71349 -88.48782      38.98754 
1 1 1 -29 3  21 o 159.3440 30.53685 6.872087       2.205597  12.53676       3.021595  0.4115322      3.226886  216.3339 30.54170 88.83601 39.26275 127.4978       49.74293 
1 1 1 -29 3  22 o 68.78675 30.43394 -0.6665812E-01 1.943868  -0.6516053     2.884525  0.4199911      2.631019  77.59048 35.44459 81.61317 35.78307 -4.022682      50.36613 
1 1 1 -29 3  23 o 85.43958 33.23367 1.709402       1.918920  1.437903       2.665314  2.001580       2.764955  88.75024 37.39876 94.28732 38.77251 -5.537079      53.86998 
1 1 1 -29 3  24 o 170.7405 35.38824 8.685949       2.748904  9.209275       6.954183  8.589035       2.992631  137.1597 59.17130 165.7623 39.02604 -28.60257      70.88213 
1 1 1 -29 3  25 o 61.38456 29.64549 -2.557966      2.588043  9.004163       6.709531  -4.578922      2.805122  129.8556 57.03365 57.12228 28.25507 72.73328       63.64893 
1 1 1 -29 3  26 o 135.8698 52.88412 9.305411       4.861479  6.394174       6.373354  13.35612       7.517875  112.6204 51.90336 135.1450 59.81941 -22.52457      79.19798 
1 1 1 -29 3  27 o 133.7898 53.93676 10.93452       5.226146  8.689061       7.190979  13.44828       7.608450  110.4031 52.23805 123.6122 56.87288 -13.20911      77.22266 
1 1 1 -29 3  28 o 105.4607 50.37523 9.934603       7.012059  9.934603       7.012059  0.000000       0.000000  105.4607 50.37523 ?        ?        0.000000       50.37523 
1 1 1 -29 5  1  o 223.8583 36.58129 12.42066       3.719056  11.38614       5.712635  13.18166       4.899568  209.0586 56.66990 227.3687 47.34816 -18.31007      73.84663 
1 1 1 -29 5  2  o 725.5529 17.48951 124.6824       5.969199  119.4488       8.976534  128.8314       7.992363  706.7740 26.99969 735.6272 23.09661 -28.85315      35.53078 
1 1 1 -29 5  3  o 580.1949 17.75294 79.76939       4.845221  73.01758       7.559266  84.47755       6.312412  550.8496 29.27787 595.7189 22.52603 -44.86932      36.94070 
1 1 1 -29 5  4  o 341.2342 20.23071 27.76153       3.232893  27.32094       5.701685  27.97029       3.924779  333.3313 36.98641 341.4259 24.60194 -8.094635      44.42128 
1 1 1 -29 5  5  o 453.0474 20.01515 48.78970       4.265518  40.53091       6.043890  56.98574       6.020884  408.5684 31.69530 487.0652 26.37701 -78.49680      41.23516 
1 1 1 -29 5  6  o 753.2614 15.93696 134.4186       5.647036  123.2866       7.079297  153.8942       9.363711  719.5332 20.91558 801.8912 24.82351 -82.35797      32.46026 
1 1 1 -29 5  7  o 666.2828 14.95466 105.1340       4.687103  99.98827       6.057384  112.8121       7.399323  648.0755 19.86965 687.0275 22.89541 -38.95203      30.31506 
1 1 1 -29 5  8  o 565.9354 14.44518 75.86046       3.845557  70.51300       4.894878  84.48277       6.215560  544.1974 19.12124 594.4003 22.22961 -50.20288      29.32197 
1 1 1 -29 5  9  o 291.9734 28.18873 20.81175       3.823442  20.81175       3.823442  0.000000       0.000000  291.9734 28.18873 ?        ?        0.000000       28.18873 
1 1 1 -29 5  10 o 251.3986 28.04812 15.51073       3.260386  17.53865       9.664319  15.25029       3.463431  241.4594 76.14655 248.4207 30.26348 -6.961273      81.94007 
1 1 1 -29 5  11 o 262.6929 28.44248 16.99796       3.458546  14.95541       8.264297  17.43163       3.808047  224.1884 70.37323 264.8988 31.15527 -40.71039      76.96130 
1 1 1 -29 5  12 o 341.1696 23.72364 28.28059       3.783652  26.03746       7.729173  28.98754       4.339113  306.7346 55.61546 343.8008 27.04869 -37.06625      61.84425 
1 1 1 -29 5  13 o 391.7706 16.25318 36.64226       2.995294  34.27582       3.807187  40.48648       4.852444  376.2112 21.60373 406.7305 25.49085 -30.51932      33.41414 
1 1 1 -29 5  14 o 79.72656 32.65805 0.7401024      1.952198  1.970861       2.441762  -1.440395      3.250084  98.95126 37.74827 82.78556 37.74229 16.16570       53.37989 
1 1 1 -29 5  15 o 461.6068 15.09218 50.94441       3.277128  55.05304       4.366287  45.64405       4.959253  477.3070 19.44667 430.5816 24.58648 46.72537       31.34753 
1 1 1 -29 5  16 o 230.3304 26.22002 13.31769       2.790253  22.03032       4.285201  6.904751       3.676416  293.0346 31.58657 155.4143 46.59741 137.6203       56.29414 
1 1 1 -29 5  17 o 265.7024 20.75118 17.35316       2.573050  14.52021       3.113340  23.45794       4.570278  238.5474 28.29661 299.9482 32.93318 -61.40082      43.41996 
1 1 1 -29 5  18 o 516.0384 16.10219 64.29553       3.908736  67.28040       4.583075  56.33175       7.486070  525.6777 18.53395 460.8318 34.79004 64.84589       39.41896 
1 1 1 -29 5  19 o 262.7760 19.47931 17.01530       2.390700  19.47614       3.113062  13.47763       3.732550  278.0100 24.04103 221.0396 37.22013 56.97049       44.30925 
1 1 1 -29 5  20 o 100.7246 36.01091 2.626950       2.159731  0.5799393      2.563930  7.627825       4.007460  83.54784 35.98605 154.7129 49.06032 -71.16503      60.84333 
1 1 1 -29 5  21 o 132.0150 33.26687 4.879553       2.065059  4.835361       2.700310  4.941808       3.204980  127.6940 40.24848 127.5635 44.00473 0.1304474      59.63519 
1 1 1 -29 5  22 o 148.3117 32.50635 6.170837       2.205251  4.340072       3.159094  7.910859       3.079808  119.3743 43.43616 161.3453 40.60900 -41.97095      59.46251 
1 1 1 -29 5  23 o 319.6399 17.37167 25.35768       2.602183  26.28184       3.595191  24.34082       3.771201  317.7402 24.23643 302.5791 26.77177 15.16110       36.11277 
1 1 1 -29 5  24 o 203.9883 30.84340 11.76081       2.867230  26.45066       7.450750  9.207235       3.106459  244.8316 63.98297 170.9434 39.43508 73.88814       75.15947 
1 1 1 -29 5  25 o 172.0754 38.44442 9.519515       3.033433  7.904281       7.200218  9.868072       3.344754  122.6827 56.02644 170.3585 42.00359 -47.67580      70.02330 
1 1 1 -29 5  26 o 153.4223 54.88242 11.98659       5.017147  15.74614       7.051978  8.133176       7.139465  149.0774 61.67384 115.8706 53.92831 33.20684       81.92634 
1 1 1 -29 5  27 o 118.2870 55.12515 12.17301       7.498967  12.17301       7.498967  0.000000       0.000000  118.2870 55.12515 ?        ?        0.000000       55.12515 
1 1 1 -29 5  28 o 102.9915 49.04210 8.900120       6.537957  8.900120       6.537957  0.000000       0.000000  102.9915 49.04210 ?        ?        0.000000       49.04210 
1 1 1 -29 7  1  o 649.8776 16.40437 99.99281       5.014879  103.9834       10.12608  98.69601       5.772496  656.2786 32.80075 644.9174 19.02787 11.36121       37.92030 
1 1 1 -29 7  2  o 143.5944 43.42807 5.146448       3.183172  8.465496       5.217307  3.178337       4.017580  181.4873 55.74340 128.3720 48.55220 53.11531       73.92322 
1 1 1 -29 7  3  o 614.4214 28.33954 90.67203       8.190841  90.67203       8.190841  0.000000       0.000000  614.4214 28.33954 ?        ?        0.000000       28.33954 
1 1 1 -29 7  4  o 214.9651 28.11418 11.28129       2.774788  11.86970       5.281550  11.05696       3.261113  212.5691 53.00188 211.0596 34.00177 1.509567       62.97079 
1 1 1 -29 7  5  o 445.8653 21.41709 47.38788       4.491934  33.39893       7.923490  54.01308       5.452850  362.4740 47.62232 474.4377 24.51667 -111.9637      53.56260 
1 1 1 -29 7  6  f 421.0789 19.45436 42.19941       3.853449  48.18669       7.486730  40.04162       4.494510  442.2510 36.30811 408.4348 23.49223 33.81625       43.24538 
1 1 1 -29 7  7  o 377.3409 26.96553 34.47462       4.754902  34.47462       4.754902  0.000000       0.000000  377.3409 26.96553 ?        ?        0.000000       26.96553 
1 1 1 -29 7  8  o 218.3031 24.63628 11.59320       2.485653  11.14405       3.286165  12.19382       3.800054  210.7943 34.32165 219.1802 38.24825 -8.385834      51.38973 
1 1 1 -29 7  9  o 452.0056 20.35630 48.85391       4.328248  48.85391       4.328248  0.000000       0.000000  452.0056 20.35630 ?        ?        0.000000       20.35630 
1 1 1 -29 7  10 o 583.1035 20.53020 81.46043       5.631293  90.60643       11.82055  78.77528       6.404806  596.2552 42.42073 571.6061 23.81989 24.64917       48.65086 
1 1 1 -29 7  11 o 605.5693 19.34368 87.83127       5.510262  70.89774       10.42310  94.39956       6.491563  524.9624 42.57518 626.1272 22.04029 -101.1648      47.94184 
1 1 1 -29 7  12 o 527.0497 22.92664 67.20528       5.684094  0.000000       0.000000  67.20528       5.684094  ?        ?        527.0497 22.92664 0.000000       22.92664 
1 1 1 -29 7  13 o 300.2477 18.12723 21.70132       2.548233  23.25161       3.200053  19.01459       4.212724  309.1043 22.15506 273.5603 33.43285 35.54401       40.10739 
1 1 1 -29 7  14 o 120.1781 33.51068 3.773757       1.965706  7.004385       2.482686  -1.654331      3.218117  163.9929 33.31950 80.91846 37.14020 83.07440       49.89572 
1 1 1 -29 7  15 o 253.2119 24.64841 15.90876       2.898688  15.74614       4.071574  16.07590       4.127731  244.7000 36.48740 247.2060 36.60256 -2.506058      51.68247 
1 1 1 -29 7  16 o 216.4621 24.04285 11.68476       2.406784  13.55194       2.976204  8.156137       4.091395  231.0943 27.94594 166.6252 48.96172 64.46906       56.37576 
1 1 1 -29 7  17 o 380.2486 16.44053 34.88226       2.940714  37.24769       3.611019  30.22440       5.067204  390.3421 19.72995 341.2314 31.93979 49.11075       37.54226 
1 1 1 -29 7  18 o 154.8140 32.51259 6.435328       2.292371  6.634110       2.565498  5.648038       5.105648  155.3067 35.84421 139.2150 54.19321 16.09171       64.97469 
1 1 1 -29 7  19 o 110.2543 37.15974 3.289083       2.283368  2.363695       2.574754  6.697385       4.941316  100.6432 38.67442 145.1876 54.06422 -44.54443      66.47294 
1 1 1 -29 7  20 o 213.4838 22.70330 11.51475       2.244951  13.91611       2.901152  7.930845       3.544214  231.6138 27.14255 160.8390 45.04968 70.77486       52.59460 
1 1 1 -29 7  21 o 144.0878 32.69541 5.777668       2.165261  6.635434       2.773095  4.437923       3.465703  150.0040 38.95357 121.8824 45.29906 28.12163       59.74434 
1 1 1 -29 7  22 o 138.2489 35.60369 5.577374       2.329433  9.337099       3.263892  1.674125       3.325607  175.6267 40.35462 96.44849 41.25035 79.17822       57.70690 
1 1 1 -29 7  23 o 215.5367 32.45757 13.12090       3.188770  9.188467       5.848853  14.78415       3.803814  145.5446 57.59651 222.9141 37.61418 -77.36951      68.79087 
1 1 1 -29 7  24 o 63.07912 30.50828 -2.863379      2.764927  -2.034780      6.119407  -3.075929      3.099330  93.21804 45.16064 66.42921 32.17164 26.78883       55.44815 
1 1 1 -29 7  25 o 86.35660 37.13057 1.644745       2.720252  -1.103746      6.890034  2.152276       2.960776  94.88470 46.40018 91.44636 39.01155 3.438339       60.62077 
1 1 1 -29 7  26 f 165.4242 66.43759 21.78062       7.896762  21.78062       7.896762  0.000000       0.000000  165.4242 66.43759 ?        ?        0.000000       66.43759 
1 1 1 -29 7  27 o 90.53381 44.49368 1.794293       6.582765  1.794293       6.582765  0.000000       0.000000  90.53381 44.49368 ?        ?        0.000000       44.49368 
1 1 1 -29 7  28 o ?        ?        -15.02676      6.223829  -15.02676      6.223829  0.000000       0.000000  ?        ?        ?        ?        0.000000       ?        
1 1 1 -29 9  1  o 404.7928 19.33635 38.94307       3.681938  52.22949       8.643269  35.99750       4.069662  459.3148 40.41502 387.8791 22.39984 71.43567       46.20743 
1 1 1 -29 9  2  o 255.4813 25.34159 15.77977       3.005346  18.40489       5.762400  14.79891       3.522340  267.9101 47.46138 245.6276 31.18782 22.28247       56.79140 
1 1 1 -29 9  3  o 172.7449 35.06853 7.515481       2.752328  4.717873       5.340409  8.527327       3.211723  149.2424 56.08055 183.2748 38.47887 -34.03242      68.01215 
1 1 1 -29 9  4  o 103.3883 39.85878 1.864009       2.741329  1.999122       5.270944  1.813912       3.209552  129.5769 53.43786 108.0599 42.69671 21.51691       68.40039 
1 1 1 -29 9  5  o 319.1556 20.62890 24.39138       3.080476  20.44278       4.967950  26.85791       3.926441  285.9964 37.85779 333.5437 25.21135 -47.54730      45.48433 
1 1 1 -29 9  6  o 87.47598 35.94901 0.7470968      2.375064  -1.120932      4.284442  1.575803       2.853663  100.3385 44.74276 101.5440 40.21622 -1.205467      60.16028 
1 1 1 -29 9  7  o 72.08185 31.77825 -0.4770700     2.100944  -0.3959319     4.011912  -0.5077289     2.466136  100.8298 44.19816 78.21261 34.45798 22.61723       56.04310 
1 1 1 -29 9  8  o 126.7841 44.82243 3.751578       3.337021  3.751578       3.337021  0.000000       0.000000  126.7841 44.82243 ?        ?        0.000000       44.82243 
1 1 1 -29 9  9  o 350.3174 22.91389 29.65585       3.755177  29.65585       3.755177  0.000000       0.000000  350.3174 22.91389 ?        ?        0.000000       22.91389 
1 1 1 -29 9  10 o 225.6202 27.79867 12.58746       2.887933  15.57344       4.891681  10.98989       3.578037  243.0403 44.42392 206.2190 38.29454 36.82127       58.65115 
1 1 1 -29 9  11 o 313.9724 22.83458 23.95068       3.349417  22.54944       5.122711  24.99703       4.426723  296.7845 37.53251 317.1900 30.02572 -20.40549      48.06488 
1 1 1 -29 9  12 o 186.8690 23.78094 8.610675       2.043067  6.806969       2.423662  13.03939       3.797766  162.4812 32.83980 224.0478 37.34937 -61.56668      49.73356 
1 1 1 -29 9  13 o 398.5011 17.08531 38.07269       3.202740  34.36386       4.122447  43.71963       5.086777  374.7861 23.50202 421.2730 25.79327 -46.48688      34.89466 
1 1 1 -29 9  14 o 128.6961 35.72448 4.401118       2.239290  5.003778       2.271561  -16.35850      13.33207  137.2433 35.05868 125.2776 61.89949 11.96571       71.13831 
1 1 1 -29 9  15 o 196.2380 30.02552 9.890701       2.683531  7.033294       3.388780  14.69565       4.394420  157.9942 43.97941 231.7550 41.84912 -73.76080      60.70863 
1 1 1 -29 9  16 f 123.7938 33.89624 4.110973       2.031742  4.400609       2.309368  3.118935       4.273970  127.2801 36.60952 120.3170 48.68111 6.963097       60.91065 
1 1 1 -29 9  17 o 285.1096 18.29206 19.81825       2.440315  18.57866       2.814262  23.57508       4.899322  273.8534 22.03271 297.1889 35.76366 -23.33554      42.00571 
1 1 1 -29 9  18 o 191.4409 27.11353 9.430431       2.373424  10.12880       2.635189  6.429846       5.462253  197.1444 29.30733 144.7622 56.13666 52.38216       63.32649 
1 1 1 -29 9  19 o 305.6335 20.25694 23.10978       2.895844  23.69823       3.102506  19.12901       8.069414  308.5546 21.50980 218.9626 69.63669 89.59201       72.88306 
1 1 1 -29 9  20 o 65.52526 29.84149 -0.7557450     2.024965  -0.8427131     2.335541  -0.4924212     4.063991  69.90432 31.91803 92.24097 42.11169 -22.33665      52.84084 
1 1 1 -29 9  21 o 210.0347 23.62724 11.32106       2.293865  13.62844       2.919907  7.601446       3.707313  227.0629 27.92577 152.7893 46.99947 74.27359       54.66990 
1 1 1 -29 9  22 o 88.10535 34.53654 1.810090       2.084598  1.088999       2.706435  2.861879       3.268639  86.64097 37.13830 104.6585 42.49296 -18.01756      56.43496 
1 1 1 -29 9  23 o 82.27507 37.94770 -0.4220554     3.416677  0.000000       0.000000  -0.4220554     3.416677  ?        ?        82.27507 37.94770 0.000000       37.94770 
1 1 1 -29 9  24 o 121.8113 42.56966 5.179652       3.004030  6.322831       5.630067  4.724659       3.551886  121.5305 52.83291 115.0389 45.08492 6.491615       69.45478 
1 1 1 -29 9  25 o 78.04168 35.90485 0.1424419      3.032029  -0.7003568     6.416570  0.3847252      3.440351  92.77236 45.23893 82.32474 38.00852 10.44762       59.08645 
1 1 1 -29 9  26 o 382.0957 28.30481 42.69284       5.051284  26.63496       8.291451  52.17004       6.369806  178.3954 69.16772 406.7849 33.58877 -228.3895      76.89200 
1 1 1 -29 9  27 o 115.3464 53.41557 11.92331       6.870973  11.92331       6.870973  0.000000       0.000000  115.3464 53.41557 ?        ?        0.000000       53.41557 
1 1 1 -29 11 1  o 476.9645 16.39727 53.96899       3.678975  54.60762       8.690619  53.82955       4.060782  468.6462 39.79820 475.8924 18.13977 -7.246124      43.73726 
1 1 1 -29 11 2  o 519.0649 17.99254 64.04738       4.393225  59.42331       8.788069  65.58797       5.072547  489.5285 38.47330 524.4223 20.56249 -34.89377      43.62351 
1 1 1 -29 11 3  o 199.2347 30.40047 9.828619       2.758901  11.09425       5.584363  9.419967       3.173196  202.8742 56.45101 193.0396 36.27656 9.834641       67.10220 
1 1 1 -29 11 4  o 537.0345 16.97638 68.53422       4.288610  70.61353       6.447942  66.88467       5.743087  541.7478 25.30199 528.2318 23.11275 13.51599       34.26937 
1 1 1 -29 11 5  o 330.0629 19.53067 26.07896       3.018883  27.93547       5.293912  25.18431       3.674989  335.9055 33.97046 322.7625 24.38486 13.14307       41.81643 
1 1 1 -29 11 6  o 264.1061 23.31378 16.88402       2.866681  18.50879       4.732527  15.94233       3.602885  270.5168 38.25740 253.9307 30.79212 16.58609       49.10991 
1 1 1 -29 11 7  o 83.80045 35.47721 0.3194523      2.416420  -1.465024      3.983725  1.358205       3.039415  94.01288 42.43144 101.0886 40.99950 -7.075760      59.00327 
1 1 1 -29 11 8  o 282.8553 30.64758 19.82996       4.012612  19.82996       4.012612  0.000000       0.000000  282.8553 30.64758 ?        ?        0.000000       30.64758 
1 1 1 -29 11 9  o 208.7375 24.96400 10.70229       2.402598  7.398589       3.126926  15.46373       3.753937  167.6504 40.17529 247.9249 33.00854 -80.27449      51.99632 
1 1 1 -29 11 10 o 241.6286 25.82098 14.37351       2.889439  19.56524       4.825438  11.47146       3.607723  275.6465 38.24525 210.2359 37.87320 65.41057       53.82452 
1 1 1 -29 11 11 o 70.41935 32.57028 -1.747448      2.543082  -7.227010      3.768436  2.834721       3.446068  67.75278 33.36901 116.3795 44.73731 -48.62668      55.81145 
1 1 1 -29 11 12 o 111.5897 32.44796 3.210045       1.805337  4.528066       2.102600  -0.4878122     3.521848  131.4743 33.80798 91.77116 40.76600 39.70311       52.96080 
1 1 1 -29 11 13 o 319.7267 16.60844 24.58184       2.489311  24.89533       2.966439  23.83557       4.576883  320.3069 19.78478 305.7631 32.31054 14.54382       37.88678 
1 1 1 -29 11 14 o 429.6759 17.73145 44.49579       3.583888  46.43282       4.644900  41.64615       5.633816  435.0146 22.77803 406.0945 29.69811 28.92010       37.42748 
1 1 1 -29 11 15 o 266.4180 18.55149 17.26104       2.310433  20.03501       2.646923  8.384068       4.735034  286.4977 19.76126 166.5013 53.38460 119.9964       56.92471 
1 1 1 -29 11 16 o 258.3989 19.12870 16.31530       2.308601  17.09559       2.608045  13.49063       4.962173  263.4146 21.22794 212.6538 50.37914 50.76083       54.66885 
1 1 1 -29 11 17 f 343.8207 16.56008 28.56940       2.678327  28.98849       3.082133  27.27698       5.412529  344.3443 19.10276 318.3076 36.82810 26.03671       41.48764 
1 1 1 -29 11 18 o 116.9827 36.88333 3.768160       2.267514  4.509508       2.339496  -7.725922      9.211882  127.0954 36.93220 110.0688 53.78872 17.02663       65.24732 
1 1 1 -29 11 19 o 107.2135 36.24290 3.112509       2.172147  2.883295       2.334589  4.589775       5.926787  104.7329 37.44069 130.7791 55.47443 -26.04613      66.92696 
1 1 1 -29 11 20 o 263.3131 21.92999 17.46731       2.691616  18.53668       3.098676  14.18037       5.432624  268.8839 24.77739 202.2091 55.45183 66.67480       60.73569 
1 1 1 -29 11 21 o 98.60779 42.57302 1.652201       3.605589  6.932224       4.662008  -6.206897      5.687764  139.9153 52.43246 85.04677 41.70794 54.86855       66.99788 
1 1 1 -29 11 22 o 135.6771 44.35371 6.124936       3.258904  7.250298       5.229215  5.410293       4.167111  136.2950 54.29411 125.2522 48.90360 11.04279       73.07129 
1 1 1 -29 11 23 o 110.8814 44.84105 3.993411       3.624340  0.000000       0.000000  3.993411       3.624340  ?        ?        110.8814 44.84105 0.000000       44.84105 
1 1 1 -29 11 24 o 78.23190 36.43526 -0.4327576     3.267766  4.839477       6.319817  -2.356716      3.817728  111.9387 51.62271 75.14394 36.22032 36.79475       63.06200 
1 1 1 -29 11 25 o 109.7968 45.54473 4.977403       3.860569  7.288943       6.913114  3.929846       4.653845  113.4779 52.89873 102.4710 46.09092 11.00692       70.16159 
1 1 1 -29 11 26 o 262.6983 37.93219 23.66774       4.551636  21.68550       7.611623  24.77111       5.678845  157.2093 64.45191 236.8829 52.35646 -79.67361      83.03763 
1 1 1 -29 13 1  o 404.1300 17.13714 38.83289       3.257832  33.59097       7.722507  39.96775       3.593223  361.4273 46.50074 409.5850 18.64966 -48.15768      50.10118 
1 1 1 -29 13 2  f 243.0778 22.17586 14.26866       2.507771  8.983354       6.347652  15.24617       2.729841  183.5362 61.95665 250.9700 23.39265 -67.43381      66.22569 
1 1 1 -29 13 3  o 457.1512 15.87131 49.64460       3.413044  49.07179       6.701211  49.84524       3.965987  446.7263 32.10319 457.2851 18.43720 -10.55875      37.02087 
1 1 1 -29 13 4  o 221.2512 25.91003 11.97906       2.645574  16.88321       4.795538  9.833532       3.171923  256.5692 41.12311 196.7971 35.57304 59.77206       54.37418 
1 1 1 -29 13 5  f 334.7525 21.00261 26.96042       3.290489  42.96557       6.395323  21.19798       3.837389  416.6063 32.90155 294.0150 28.08748 122.5912       43.25990 
1 1 1 -29 13 6  o 152.4502 34.62416 5.973466       2.426409  5.209367       4.453297  6.296077       2.893650  145.4023 51.73913 155.2406 39.52201 -9.838364      65.10705 
1 1 1 -29 13 7  o 354.9524 27.83610 30.92229       4.610543  30.92229       4.610543  0.000000       0.000000  354.9524 27.83610 ?        ?        0.000000       27.83610 
1 1 1 -29 13 8  o 129.0079 45.69813 4.040815       3.470320  4.040815       3.470320  0.000000       0.000000  129.0079 45.69813 ?        ?        0.000000       45.69813 
1 1 1 -29 13 9  o 374.8375 20.71079 33.94085       3.637650  31.49157       5.520462  35.82045       4.836040  353.5434 33.59813 381.5756 27.11922 -28.03217      43.17738 
1 1 1 -29 13 10 f 289.9768 23.59277 20.56648       3.190286  19.69704       4.697290  21.31094       4.346582  276.2392 37.08529 290.4572 32.36264 -14.21799      49.22052 
1 1 1 -29 13 11 o 340.9238 20.56960 28.18930       3.283323  23.33464       4.411924  34.21522       4.915415  304.0637 31.29246 370.8032 28.39623 -66.73950      42.25594 
1 1 1 -29 13 12 o 282.9699 16.96467 19.28141       2.247741  17.18880       2.533956  27.00654       4.868648  265.7191 20.42898 325.8729 32.18114 -60.15381      38.11783 
1 1 1 -29 13 13 o 142.2481 29.14477 5.222991       1.884628  4.206153       2.088880  9.673009       4.369871  125.9688 34.31898 182.8622 49.56235 -56.89335      60.28448 
1 1 1 -29 13 14 o 123.9301 32.54993 4.065433       1.922005  2.981569       2.152689  8.325066       4.267561  108.0454 36.08237 168.3522 50.14254 -60.30682      61.77550 
1 1 1 -29 13 15 o 301.4727 16.67680 21.96231       2.355802  22.69150       2.675717  19.44819       4.968350  305.4041 18.71526 266.8206 40.88759 38.58350       44.96728 
1 1 1 -29 13 16 f 422.3559 15.35103 42.90200       3.049899  47.10357       3.563368  31.39262       5.897680  441.3391 17.16402 342.1184 37.24867 99.22070       41.01301 
1 1 1 -29 13 17 o 118.5205 33.75449 3.815559       1.972633  3.539985       2.128701  5.490852       5.248576  114.2342 35.69275 138.3372 54.61904 -24.10309      65.24731 
1 1 1 -29 13 18 o 111.3634 35.82273 3.389550       2.130781  4.282222       2.337813  -0.9913331     5.178987  123.4888 37.18820 100.9245 46.60921 22.56425       59.62701 
1 1 1 -29 13 19 o 195.4576 27.00251 9.957298       2.416406  10.80967       2.600811  4.577884       6.533725  203.0660 27.96929 130.6557 56.85772 72.41031       63.36467 
1 1 1 -29 13 20 o 271.3320 21.45520 18.56324       2.716099  22.29530       3.171300  8.289846       5.261625  296.0781 22.94922 150.1377 55.81240 145.9404       60.34642 
1 1 1 -29 13 21 o 180.7853 42.84044 10.25573       3.587463  5.383472       5.253993  14.51141       4.910305  126.0967 52.78724 205.0699 51.09027 -78.97321      73.46229 
1 1 1 -29 13 22 o 102.0164 42.60676 2.745595       3.411543  5.912604       5.347978  0.5725535      4.429951  124.9188 52.82582 94.66006 43.49464 30.25871       68.42771 
1 1 1 -29 13 23 o 97.98071 42.39371 2.466788       3.590839  2.232461       6.113954  2.590180       4.436664  104.6589 49.09816 101.5072 45.37773 3.151695       66.85632 
1 1 1 -29 13 24 o 140.0922 47.22480 7.965321       3.687835  11.50119       7.840460  6.960817       4.178968  128.8961 58.70868 125.8546 49.01891 3.041519       76.48243 
1 1 1 -29 13 25 o 116.6136 47.16246 6.387409       4.009616  11.63496       6.544669  3.234246       5.073207  127.7957 56.22401 97.06581 45.27075 30.72990       72.18435 
1 1 1 -29 15 1  o 231.3986 24.19124 13.03848       2.594300  8.891202       6.435603  13.84320       2.834840  181.3656 62.36830 237.9817 25.73275 -56.61606      67.46835 
1 1 1 -29 15 2  o 336.7832 16.77618 27.00797       2.657742  27.82699       7.128440  26.87573       2.864264  325.4312 48.00750 335.1120 18.23862 -9.680817      51.35530 
1 1 1 -29 15 3  o 553.4146 17.41531 73.02943       4.533682  73.71882       7.437979  72.62189       5.718844  548.8215 28.91275 549.5765 22.12131 -0.7550049     36.40466 
1 1 1 -29 15 4  o 405.3024 17.48630 39.19592       3.333852  42.19890       5.445891  37.39597       4.216221  415.0671 28.05686 393.2760 22.88964 21.79117       36.20944 
1 1 1 -29 15 5  o 110.4424 37.66572 2.916094       2.346245  -1.869455      4.190663  5.101070       2.831655  93.96795 42.84684 139.7600 40.63716 -45.79209      59.05278 
1 1 1 -29 15 6  o 207.8782 27.81121 10.73408       2.651391  5.671216       4.127978  14.28954       3.459290  147.5401 49.96240 238.6262 31.59456 -91.08607      59.11394 
1 1 1 -29 15 7  o 470.3861 27.40751 54.34621       6.038200  54.34621       6.038200  0.000000       0.000000  470.3861 27.40751 ?        ?        0.000000       27.40751 
1 1 1 -29 15 8  o 195.7635 28.81073 9.616787       2.573764  8.472382       3.697389  10.69263       3.584920  176.6653 44.51104 201.6977 39.19627 -25.03242      59.30919 
1 1 1 -29 15 9  o 147.1434 38.88850 5.763882       2.732380  3.954087       4.232522  7.057076       3.577804  130.8429 49.75029 160.5491 45.36649 -29.70621      67.32912 
1 1 1 -29 15 10 o 263.7005 23.73421 17.07920       2.912574  20.44318       4.393229  14.44114       3.890450  282.9587 33.66673 235.8358 36.22746 47.12286       49.45581 
1 1 1 -29 15 11 o 363.0950 19.78905 31.93926       3.367231  37.81892       4.482988  24.32818       5.100523  392.2741 24.41560 306.5212 36.06377 85.75284       43.55132 
1 1 1 -29 15 12 o 119.4580 32.69905 3.742861       1.891095  4.246402       2.120257  1.783888       4.182013  126.6632 34.60390 112.3484 47.06809 14.31476       58.41947 
1 1 1 -29 15 13 o 83.46140 33.89351 0.9898833      2.079988  1.189326       2.387214  0.3611772      4.238437  89.33119 36.29787 103.3551 45.36387 -14.02395      58.09834 
1 1 1 -29 15 14 o 93.33823 32.55268 2.093629       1.756191  0.9102771      1.912172  8.472057       4.439425  80.06580 32.50343 168.4778 51.36118 -88.41196      60.78194 
1 1 1 -29 15 15 o 311.3622 16.77406 23.45755       2.447757  24.64321       2.775199  19.30373       5.194422  318.1305 18.62592 262.5672 43.58428 55.56329       47.39741 
1 1 1 -29 15 16 o 82.74121 33.47285 1.092454       2.020359  1.203647       2.187904  0.4487283      5.264278  85.90801 34.80540 109.7189 49.21161 -23.81087      60.27602 
1 1 1 -29 15 17 o 292.1211 20.15615 21.06824       2.752799  21.41113       2.852544  16.42093       10.50173  294.0836 20.75337 188.1918 76.25105 105.8918       79.02483 
1 1 1 -29 15 18 o 106.7364 36.44446 3.088622       2.196589  4.163753       2.398243  -2.510022      5.472729  120.9998 37.89800 96.58387 45.66034 24.41592       59.33907 
1 1 1 -29 15 19 o 195.7289 29.55385 10.24760       2.636308  11.97966       2.879657  1.279429       6.552568  211.6764 29.74053 114.6874 52.77131 96.98900       60.57483 
1 1 1 -29 15 20 o 99.23943 37.77485 2.595104       2.441812  2.907655       2.631427  0.6578479      6.551245  103.3045 39.24002 109.4893 51.19144 -6.184830      64.50072 
1 1 1 -29 15 21 o 69.56307 33.74349 -3.626842      3.443906  1.411712       4.995338  -8.191119      4.754425  102.3154 46.70225 70.94454 35.37253 31.37085       58.58597 
1 1 1 -29 15 22 o 127.9757 47.69426 6.167120       3.847077  15.56481       6.020645  -0.3176228     5.001254  183.4025 60.30194 92.56580 43.72673 90.83672       74.48725 
1 1 1 -29 15 23 o 103.3696 43.72840 3.542095       3.666642  -0.3252081     5.814716  6.094946       4.724297  93.13255 44.84454 118.9101 49.93259 -25.77760      67.11405 
1 1 1 -29 15 24 o 108.7811 50.36032 5.823425       6.100799  0.000000       0.000000  5.823425       6.100799  ?        ?        108.7811 50.36032 0.000000       50.36032 
1 1 1 -29 17 1  o 230.4398 23.51237 12.93849       2.513023  10.42509       6.653738  13.35667       2.714042  191.7050 63.41066 233.6210 25.08949 -41.91594      68.19380 
1 1 1 -29 17 2  o 177.6768 30.21344 7.939665       2.434820  7.018431       6.381963  8.096597       2.634054  165.6422 61.48924 178.5962 32.55270 -12.95396      69.57446 
1 1 1 -29 17 3  o 146.7855 36.28580 5.600101       2.491225  2.166563       5.537262  6.471463       2.789482  129.2284 54.15117 157.3357 38.09640 -28.10728      66.20940 
1 1 1 -29 17 4  o 371.6200 18.57938 33.06302       3.247878  23.95480       4.896265  40.21998       4.340226  308.2996 34.34534 407.5167 22.73166 -99.21710      41.18653 
1 1 1 -29 17 5  o 65.41798 30.14367 -1.448994      2.148327  3.623924       4.383232  -3.052913      2.464659  130.2974 50.35408 62.46391 29.84498 67.83347       58.53423 
1 1 1 -29 17 6  o 125.5887 49.25565 3.192032       4.241825  3.192032       4.241825  0.000000       0.000000  125.5887 49.25565 ?        ?        0.000000       49.25565 
1 1 1 -29 17 7  f 132.3822 55.47107 2.660037       5.810200  2.660037       5.810200  0.000000       0.000000  132.3822 55.47107 ?        ?        0.000000       55.47107 
1 1 1 -29 17 8  o 132.8743 40.15939 4.656844       2.722691  2.157586       4.275714  6.361475       3.531168  117.3849 48.23645 152.8453 45.63159 -35.46043      66.40028 
1 1 1 -29 17 9  o 182.9508 35.12130 8.721257       2.912657  5.100621       4.354461  11.65279       3.918228  140.6989 51.02655 208.6232 41.38737 -67.92422      65.70101 
1 1 1 -29 17 10 o 228.8681 28.62601 13.17322       3.014470  13.05670       4.155767  13.30262       4.379213  220.3812 41.61266 221.1598 43.64379 -0.7785645     60.30252 
1 1 1 -29 17 11 o 61.84380 29.55358 -2.892560      2.418846  -1.582698      3.258332  -4.500595      3.610194  81.60074 37.42317 73.62541 35.42331 7.975327       51.52965 
1 1 1 -29 17 12 f 221.0616 23.96728 12.12742       2.452386  12.94465       2.892036  10.03567       4.626882  226.5435 27.71637 184.7848 51.37227 41.75876       58.37215 
1 1 1 -29 17 13 o 150.7082 29.50076 5.891896       2.016545  4.960042       2.157039  12.35434       5.680448  136.3150 33.80481 198.6893 57.49465 -62.37421      66.69633 
1 1 1 -29 17 14 o 400.7582 15.76543 38.63346       2.972059  37.14804       3.250901  46.19501       7.334725  391.8859 17.63497 415.6145 37.93471 -23.72855      41.83341 
1 1 1 -29 17 15 f 259.8868 23.25021 16.85496       2.812343  20.26654       3.118438  1.991379       6.509102  284.9793 23.47113 124.6740 55.39953 160.3053       60.16645 
1 1 1 -29 17 16 o 105.8872 33.77993 2.997771       1.897690  2.997771       1.897690  0.000000       0.000000  105.8872 33.77993 ?        ?        0.000000       33.77993 
1 1 1 -29 17 17 o 81.16193 32.94150 1.100382       1.963618  0.9155205      2.150878  2.025505       4.811628  81.54702 33.92488 111.8103 48.72248 -30.26331      59.36983 
1 1 1 -29 17 18 o 202.0225 25.48488 10.57230       2.367987  13.65651       2.765987  2.108474       4.582064  229.3956 26.09731 109.0358 47.52881 120.3597       54.22229 
1 1 1 -29 17 19 o 202.1772 27.50998 10.86503       2.548391  11.15241       2.955579  10.03227       5.031221  200.6214 32.42411 163.6346 55.15960 36.98679       63.98363 
1 1 1 -29 17 20 o 103.1042 43.46991 2.626331       3.603912  5.752081       4.817519  -1.345937      5.430822  126.6298 51.52116 94.67447 44.97059 31.95531       68.38702 
1 1 1 -29 17 21 o 179.5548 45.62583 11.07954       3.861599  11.06124       5.862745  11.09357       5.132143  152.7765 58.44167 160.6954 55.67042 -7.918869      80.71323 
1 1 1 -29 17 22 o 138.2767 48.27302 7.659923       3.862410  15.58561       6.138558  2.465813       4.969394  174.0165 60.85070 100.9118 46.25620 73.10461       76.43588 
1 1 1 -29 19 1  o 192.3969 25.65681 9.132616       2.264170  10.46968       6.661687  8.957989       2.407490  191.1613 63.45898 189.7737 27.79230 1.387573       69.27810 
1 1 1 -29 19 2  o 114.0932 36.97975 3.234640       2.267396  -0.2215517     5.889411  3.836066       2.456767  119.4045 52.89432 122.7759 38.34186 -3.371407      65.32922 
1 1 1 -29 19 3  o 424.5848 20.49146 43.33751       4.092669  31.36148       7.057507  49.40548       5.023619  345.7076 44.42635 451.0944 23.75821 -105.3868      50.38009 
1 1 1 -29 19 4  o 298.1952 38.23891 22.84637       5.240263  22.84637       5.240263  0.000000       0.000000  298.1952 38.23891 ?        ?        0.000000       38.23891 
1 1 1 -29 19 5  o 71.70130 33.93674 -3.103449      3.039538  0.000000       0.000000  -3.103449      3.039538  ?        ?        71.70130 33.93674 0.000000       33.93674 
1 1 1 -29 19 6  o 176.4583 51.72026 8.750843       4.570527  8.750843       4.570527  0.000000       0.000000  176.4583 51.72026 ?        ?        0.000000       51.72026 
1 1 1 -29 19 7  o 119.3018 41.02220 3.539538       2.784164  3.637216       4.300990  3.469085       3.652758  128.6313 49.83220 123.2987 46.37097 5.332649       68.06992 
1 1 1 -29 19 8  o 77.23656 34.87201 -0.9879422     2.693478  -3.814989      4.222899  0.9509513      3.497206  84.63890 40.04253 101.0100 42.71685 -16.37113      58.55026 
1 1 1 -29 19 9  o 120.6657 41.54992 3.692491       2.856747  3.392975       3.964279  4.016053       4.120339  123.5506 47.84799 129.6399 49.13605 -6.089363      68.58412 
1 1 1 -29 19 10 o 115.7741 48.46899 1.989893       4.429943  0.000000       0.000000  1.989893       4.429943  ?        ?        115.7741 48.46899 0.000000       48.46899 
1 1 1 -29 19 11 o 289.6378 18.21693 20.32096       2.469344  20.58414       2.785476  19.35494       5.336634  290.3901 20.52364 264.9780 44.38391 25.41208       48.89941 
1 1 1 -29 19 12 o 190.8865 28.04032 9.294386       2.442793  11.87821       2.854689  2.228300       4.720810  215.7145 28.85572 117.7894 49.71149 97.92515       57.47943 
1 1 1 -29 19 13 o 108.6020 33.48973 3.111357       1.881011  2.205878       2.036499  8.370988       4.908206  96.48392 34.91028 164.2557 54.46791 -67.77180      64.69530 
1 1 1 -29 19 14 o 239.1733 20.27185 14.10067       2.259276  14.03031       2.431527  14.54518       6.111454  237.6168 22.00342 208.9927 59.37542 28.62415       63.32133 
1 1 1 -29 19 15 f 106.4987 38.71160 2.909899       2.508316  2.202941       2.744492  6.495245       6.180602  100.4225 39.54478 144.5198 58.51743 -44.09729      70.62634 
1 1 1 -29 19 16 o 97.02412 35.78648 2.334046       2.154821  2.334046       2.154821  0.000000       0.000000  97.02412 35.78648 ?        ?        0.000000       35.78648 
1 1 1 -29 19 17 o 238.9041 21.41665 14.36647       2.381272  14.56296       2.546664  12.99941       6.717247  239.4472 22.88839 178.3233 63.53428 61.12395       67.53135 
1 1 1 -29 19 18 o 161.0878 31.65092 7.201715       2.312836  8.435186       2.481365  -0.9646255     6.384688  174.9346 31.30335 103.8509 49.16266 71.08370       58.28265 
1 1 1 -29 19 19 o 166.1930 34.73225 8.032089       2.627810  7.277800       3.131163  9.828926       4.832710  150.2345 42.43642 158.9794 54.05816 -8.744965      68.72506 
1 1 1 -29 19 20 o 179.6289 48.89599 11.65857       4.242394  8.894175       5.545650  15.55886       6.587198  140.8022 55.96842 177.3120 62.94370 -36.50977      84.22810 
1 1 1 -29 21 1  o 103.9309 34.36734 2.628637       1.954540  11.86385       6.164432  1.596436       2.060875  201.8454 60.29801 91.28313 34.71373 110.5623       69.57653 
1 1 1 -29 21 2  o 274.9706 19.41165 18.23985       2.494705  31.09394       6.722436  16.18691       2.686544  345.0449 42.30342 257.8889 22.36736 87.15601       47.85267 
1 1 1 -29 21 3  f 354.9884 20.20866 30.42388       3.360631  28.62252       5.098906  31.80737       4.468535  337.4901 32.52037 359.6544 26.60127 -22.16440      42.01431 
1 1 1 -29 21 4  o 168.4304 37.95452 7.483419       2.935083  4.633493       4.473604  9.637338       3.889157  138.0676 51.43622 188.3520 44.58670 -50.28447      68.07098 
1 1 1 -29 21 5  f 294.1426 37.43240 22.36489       5.061999  22.36489       5.061999  0.000000       0.000000  294.1426 37.43240 ?        ?        0.000000       37.43240 
1 1 1 -29 21 6  o 150.2894 50.60277 6.175843       4.234234  6.175843       4.234234  0.000000       0.000000  150.2894 50.60277 ?        ?        0.000000       50.60277 
1 1 1 -29 21 7  o 175.8586 37.33726 8.202020       2.993215  7.253954       4.164458  9.215220       4.305136  160.3564 49.89362 180.1406 49.34819 -19.78416      70.17562 
1 1 1 -29 21 8  o 382.9345 20.81314 35.66313       3.735057  33.32967       4.886684  38.94174       5.792393  364.8067 28.70816 391.9267 31.68954 -27.11996      42.75962 
1 1 1 -29 21 9  f 169.3423 38.20103 7.736445       2.970622  9.233343       3.998199  5.891796       4.438386  180.2382 46.75778 145.6443 51.67088 34.59384       69.68623 
1 1 1 -29 21 10 o 231.9311 25.11500 13.43737       2.696298  13.58611       3.110255  12.98752       5.409123  230.8776 29.29754 206.8801 54.73495 23.99756       62.08269 
1 1 1 -29 21 11 o 67.67004 31.80412 -2.175395      2.585504  0.5575742E-01  3.081711  -7.479192      4.751391  88.10369 38.67537 77.69296 38.10535 10.41074       54.29367 
1 1 1 -29 21 12 o 258.1969 22.00917 16.51195       2.647634  16.51195       2.647634  0.000000       0.000000  258.1969 22.00917 ?        ?        0.000000       22.00917 
1 1 1 -29 21 13 o 342.6423 16.70648 28.42450       2.692745  28.29567       2.923026  29.14685       6.921409  340.4475 18.31950 314.3732 48.35283 26.07437       51.70687 
1 1 1 -29 21 14 o 361.6358 16.29906 31.70465       2.772704  34.08978       3.050690  20.37753       6.648166  374.2664 17.32798 247.1209 58.15834 127.1455       60.68486 
1 1 1 -29 21 15 o 367.9624 17.77404 33.13102       3.076513  33.13102       3.076513  0.000000       0.000000  367.9624 17.77404 ?        ?        0.000000       17.77404 
1 1 1 -29 21 16 o 163.6623 31.46140 7.336350       2.334136  7.866916       2.563928  4.768134       5.640948  167.9785 33.62092 127.1328 54.03196 40.84570       63.63819 
1 1 1 -29 21 17 o 150.8362 35.79741 6.623872       2.501832  7.096421       2.744877  4.304400       6.081271  154.3260 38.05118 122.4474 54.01975 31.87859       66.07591 
1 1 1 -29 21 18 o 98.99061 37.88334 2.692092       2.464168  3.824306       2.724012  -2.407551      5.781157  111.7259 40.38296 93.38046 44.90328 18.34544       60.39112 
1 1 1 -29 23 1  o 294.0340 19.73241 20.90805       2.713451  15.80262       6.213877  22.11097       3.016223  232.9659 57.13711 301.6945 21.39202 -68.72864      61.01039 
1 1 1 -29 23 2  o 231.3191 23.59410 13.14681       2.531404  15.57967       6.223712  12.66456       2.770966  230.4032 57.58360 225.7091 26.60978 4.694092       63.43462 
1 1 1 -29 23 3  o 187.4198 33.51083 9.074425       2.845962  4.068069       3.705488  16.27527       4.444023  128.6851 47.00939 248.7111 39.28984 -120.0260      61.26642 
1 1 1 -29 23 4  o 291.4945 25.44163 20.99537       3.453583  10.54263       4.359254  38.61475       5.659686  193.7071 48.06857 391.6888 30.96981 -197.9817      57.18143 
1 1 1 -29 23 5  o 109.0271 43.58767 2.188481       3.382017  2.188481       3.382017  0.000000       0.000000  109.0271 43.58767 ?        ?        0.000000       43.58767 
1 1 1 -29 23 6  o 256.1987 27.48894 16.45406       3.261098  14.81468       4.141549  19.12901       5.290303  236.1817 38.61208 264.7035 44.03347 -28.52174      58.56483 
1 1 1 -29 23 7  o 280.6237 25.72822 19.61653       3.358466  18.41470       4.233994  21.65577       5.515246  265.9927 34.66211 281.9364 42.94217 -15.94370      55.18597 
1 1 1 -29 23 8  o 96.13465 38.74022 1.573981       2.694890  0.2897496      3.249584  4.402497       4.822647  92.08643 40.08579 133.4526 52.46220 -41.36613      66.02388 
1 1 1 -29 23 9  f 178.9907 34.60408 8.537820       2.808177  6.531485       3.193440  15.38050       5.897530  151.9089 42.83780 222.5039 56.30065 -70.59496      70.74490 
1 1 1 -29 23 10 o 201.8055 28.46786 10.46854       2.627379  9.875009       2.924893  12.94887       5.979211  192.9264 33.44101 198.2636 59.42089 -5.337189      68.18463 
1 1 1 -29 23 11 o 328.4967 48.49808 31.71820       7.268810  0.000000       0.000000  31.71820       7.268810  ?        ?        328.4967 48.49808 0.000000       48.49808 
1 1 1 -29 23 12 o 214.4201 25.83087 11.74622       2.552960  13.32031       2.791812  3.709870       6.308133  228.0011 26.52617 129.4086 56.09037 98.59254       62.04649 
1 1 1 -29 23 13 o 238.0058 23.05548 14.29352       2.548896  14.30779       2.809500  14.22711       6.060010  236.2332 25.69691 199.6132 59.82005 36.61996       65.10583 
1 1 1 -29 23 14 o 202.9347 27.43818 10.79381       2.552113  11.55919       2.749795  6.037456       6.854899  209.1178 28.71147 136.9911 58.92322 72.12677       65.54612 
1 1 1 -29 23 15 o 54.23629 26.50068 -3.480079      2.233737  -3.205964      2.429018  -4.982164      5.686060  58.54543 28.38521 88.51291 43.03262 -29.96748      51.55120 
1 1 1 -29 25 1  o 102.6712 38.44272 2.311723       2.505072  0.6834127      5.494949  2.738925       2.814567  116.9273 51.47853 109.6134 40.80600 7.313919       65.68995 
1 1 1 -29 25 2  o 262.8477 22.33294 16.95834       2.735185  12.71700       5.607733  18.28235       3.133151  205.4136 56.34166 271.6953 24.78778 -66.28171      61.55336 
1 1 1 -29 25 3  o 89.81311 36.68270 1.139933       2.454032  -2.199170      2.954612  8.567183       4.406559  73.80117 34.46318 171.3300 50.93510 -97.52882      61.49874 
1 1 1 -29 25 4  o 239.5964 26.03413 14.36767       2.886999  11.63185       3.337775  22.49406       5.752567  210.3686 34.95608 285.9983 44.18306 -75.62964      56.33889 
1 1 1 -29 25 5  o 108.4548 42.92938 2.391318       3.250018  2.391318       3.250018  0.000000       0.000000  108.4548 42.92938 ?        ?        0.000000       42.92938 
1 1 1 -29 25 6  o 133.6746 40.67248 4.933527       2.785890  1.707439       3.250631  13.85850       5.406710  102.2792 42.04729 213.5377 53.83863 -111.2586      68.31232 
1 1 1 -29 25 7  o 189.0623 34.42665 9.523693       2.948944  6.471961       3.381261  19.22117       6.027468  149.9901 44.62375 253.3549 52.30820 -103.3647      68.75628 
1 1 1 -29 25 8  o 144.4975 39.49532 5.860269       2.761253  4.374130       3.151800  10.76694       5.726939  125.9450 43.62719 180.3667 58.78896 -54.42161      73.20843 
1 1 1 -29 25 9  o 100.9633 39.60398 2.205368       2.742736  3.794040       3.123101  -3.151011      5.734618  118.9881 43.20443 98.79368 46.71573 20.19446       63.63161 
1 1 1 -29 25 10 o 90.99622 38.35926 1.088629       2.805635  -0.7701654     3.181738  7.586207       5.948732  82.67262 37.55614 151.3202 58.61005 -68.64762      69.61035 
1 1 1 -28 0  1  o 94.69949 65.67056 -8.284781      10.15982  -8.284781      10.15982  -8.284781      10.15982  94.69949 65.67056 94.69949 65.67056 0.000000       0.000000 
1 1 1 -28 0  2  o 214.6831 96.84372 16.25743       10.49656  16.25743       10.49656  16.25743       10.49656  214.6831 96.84372 214.6831 96.84372 0.000000       0.000000 
1 1 1 -28 0  3  o 555.6683 43.40102 74.58383       11.18531  74.58383       11.18531  74.58383       11.18531  555.6683 43.40102 555.6683 43.40102 0.000000       0.000000 
1 1 1 -28 0  4  o 316.8057 36.06406 24.65235       5.194580  24.65235       5.194580  24.65235       5.194580  316.8057 36.06406 316.8057 36.06406 0.000000       0.000000 
1 1 1 -28 0  5  o 586.2971 22.58322 81.41888       6.207365  81.41888       6.207365  81.41888       6.207365  586.2971 22.58322 586.2971 22.58322 0.000000       0.000000 
1 1 1 -28 0  6  o 269.6868 30.34365 17.82657       3.724094  17.82657       3.724094  17.82657       3.724094  269.6868 30.34365 269.6868 30.34365 0.000000       0.000000 
1 1 1 -28 0  7  o 511.1543 24.53056 62.08730       5.867361  62.08730       5.867361  62.08730       5.867361  511.1543 24.53056 511.1543 24.53056 0.000000       0.000000 
1 1 1 -28 0  8  o 100.0184 50.58810 3.508780       2.958004  3.508780       2.958004  3.508780       2.958004  100.0184 50.58810 100.0184 50.58810 0.000000       0.000000 
1 1 1 -28 0  9  o 370.6280 23.41090 32.80997       4.044223  32.80997       4.044223  32.80997       4.044223  370.6280 23.41090 370.6280 23.41090 0.000000       0.000000 
1 1 1 -28 0  11 o 41.11546 29.43110 -4.114695      2.631071  -4.114695      2.631071  -4.114695      2.631071  41.11546 29.43110 41.11546 29.43110 0.000000       0.000000 
1 1 1 -28 0  12 o 91.10818 62.83831 -6.218788      8.992481  -6.218788      8.992481  -6.218788      8.992481  91.10818 62.83831 91.10818 62.83831 0.000000       0.000000 
1 1 1 -28 0  13 o 637.4469 20.50860 96.25908       6.135217  96.25908       6.135217  96.25908       6.135217  637.4469 20.50860 637.4469 20.50860 0.000000       0.000000 
1 1 1 -28 0  14 o 780.6484 19.50142 144.1927       7.151191  144.1927       7.151191  144.1927       7.151191  780.6484 19.50142 780.6484 19.50142 0.000000       0.000000 
1 1 1 -28 0  15 o 287.3543 26.77695 20.08410       3.547259  20.08410       3.547259  20.08410       3.547259  287.3543 26.77695 287.3543 26.77695 0.000000       0.000000 
1 1 1 -28 0  16 o 357.3254 22.25219 30.57597       3.707054  30.57597       3.707054  30.57597       3.707054  357.3254 22.25219 357.3254 22.25219 0.000000       0.000000 
1 1 1 -28 0  17 o 218.5583 32.31042 12.10327       3.108584  12.10327       3.108584  12.10327       3.108584  218.5583 32.31042 218.5583 32.31042 0.000000       0.000000 
1 1 1 -28 0  18 o 224.7360 54.05817 14.18847       4.955781  14.18847       4.955781  14.18847       4.955781  224.7360 54.05817 224.7360 54.05817 0.000000       0.000000 
1 1 1 -28 0  19 o 43.27726 30.41068 -2.556066      2.389071  -2.556066      2.389071  -2.556066      2.389071  43.27726 30.41068 43.27726 30.41068 0.000000       0.000000 
1 1 1 -28 0  20 o 41.25677 29.25103 -3.020812      2.376568  -3.020812      2.376568  -3.020812      2.376568  41.25677 29.25103 41.25677 29.25103 0.000000       0.000000 
1 1 1 -28 0  21 o 51.21091 34.66266 -1.116506      2.468726  -1.116506      2.468726  -1.116506      2.468726  51.21091 34.66266 51.21091 34.66266 0.000000       0.000000 
1 1 1 -28 0  22 o 270.8620 29.77593 18.20749       3.677012  18.20749       3.677012  18.20749       3.677012  270.8620 29.77593 270.8620 29.77593 0.000000       0.000000 
1 1 1 -28 0  23 o 123.0935 47.77746 5.058350       2.633305  5.058350       2.633305  5.058350       2.633305  123.0935 47.77746 123.0935 47.77746 0.000000       0.000000 
1 1 1 -28 0  24 f 84.77077 46.72243 2.544263       2.705019  2.544263       2.705019  2.544263       2.705019  84.77077 46.72243 84.77077 46.72243 0.000000       0.000000 
1 1 1 -28 0  25 o 69.83070 42.33799 1.268296       2.576176  1.268296       2.576176  1.268296       2.576176  69.83070 42.33799 69.83070 42.33799 0.000000       0.000000 
1 1 1 -28 0  26 o 134.7607 75.26855 7.651606       7.125835  7.651606       7.125835  7.651606       7.125835  134.7607 75.26855 134.7607 75.26855 0.000000       0.000000 
1 1 1 -28 0  28 o 137.2890 75.69646 8.585018       7.103186  8.585018       7.103186  8.585018       7.103186  137.2890 75.69646 137.2890 75.69646 0.000000       0.000000 
1 1 1 -28 2  1  o 345.4486 52.86669 29.88749       8.317525  45.48157       12.59842  17.83888       11.07399  421.5664 65.66896 260.3714 81.41856 161.1950       104.6011 
1 1 1 -28 2  2  o 305.1275 52.33637 23.43237       7.241543  32.13437       12.89765  19.42628       8.751082  345.6583 80.77544 272.0782 68.43821 73.58014       105.8700 
1 1 1 -28 2  3  o 520.6667 31.24489 65.04270       7.617191  56.86683       11.79160  70.89774       9.978627  477.7176 53.38544 540.5529 39.51696 -62.83530      66.41985 
1 1 1 -28 2  4  o 598.3626 20.43090 84.84003       5.750708  80.85535       7.179327  91.97385       9.606097  582.7538 26.18962 618.4505 33.14021 -35.69666      42.23943 
1 1 1 -28 2  5  o 279.9778 23.20279 18.74969       3.028317  14.42127       4.844730  21.52540       3.879647  239.6429 44.61886 299.0683 27.89946 -59.42545      52.62340 
1 1 1 -28 2  6  o 532.4518 16.29208 67.04404       4.080621  71.29315       5.375643  61.26635       6.268422  548.1191 20.84904 506.1022 26.42164 42.01697       33.65688 
1 1 1 -28 2  7  o 321.6285 18.85588 24.60611       2.840327  22.83408       3.656846  27.30084       4.509512  308.3522 25.43810 336.4315 28.77139 -28.07935      38.40430 
1 1 1 -28 2  8  o 270.9226 20.30617 17.53336       2.569046  23.08698       4.187525  14.18150       3.253213  308.7991 29.17346 241.3750 29.24890 67.42403       41.31088 
1 1 1 -28 2  9  o 340.4640 16.89655 27.47594       2.706066  25.92939       3.777626  29.10600       3.878269  328.4436 24.62992 348.3195 23.81236 -19.87598      34.25874 
1 1 1 -28 2  10 o 387.7809 16.06349 35.64620       2.930188  39.69599       4.140344  31.58242       4.147490  407.3607 21.68476 362.3668 24.47489 44.99396       32.69938 
1 1 1 -28 2  11 o 547.1686 54.99809 78.24020       13.96422  0.000000       0.000000  78.24020       13.96422  ?        ?        547.1686 54.99809 0.000000       54.99809 
1 1 1 -28 2  12 o 147.7770 58.91712 4.084497       6.162348  -0.5755054     7.744283  12.12842       10.17471  135.7801 60.37675 209.3142 77.65173 -73.53406      98.36230 
1 1 1 -28 2  13 o 297.8034 19.09105 21.27531       2.660328  22.37594       3.634699  20.00536       3.904296  303.0692 25.73861 284.8791 29.56543 18.19006       39.19937 
1 1 1 -28 2  14 o 419.7461 14.88052 41.89810       2.938151  39.07621       3.741168  46.43993       4.746276  403.7042 19.70038 437.9747 23.11937 -34.27051      30.37450 
1 1 1 -28 2  15 o 178.5537 26.74892 7.953150       2.177528  6.320393       2.845411  10.26091       3.382824  154.4531 39.12037 198.3943 37.62446 -43.94119      54.27710 
1 1 1 -28 2  16 o 109.2839 34.48939 3.036140       1.982345  3.557621       2.763819  2.483630       2.844856  119.0678 40.87603 107.7985 40.83556 11.26931       57.77882 
1 1 1 -28 2  17 o 102.4206 37.28098 2.425915       2.327513  5.112961       3.611604  0.5171997      3.043920  137.3291 46.73199 91.87427 39.38380 45.45488       61.11434 
1 1 1 -28 2  18 o 103.6600 36.37589 2.654240       2.194544  3.752252       2.479445  -1.316885      4.715281  118.7916 38.68046 98.74928 45.18878 20.04229       59.48280 
1 1 1 -28 2  19 o 62.52916 28.48184 -0.8556476     1.845636  1.284734       2.439661  -3.719807      2.822166  89.78396 36.61202 64.13845 30.97096 25.64551       47.95457 
1 1 1 -28 2  20 o 66.72743 29.54205 -0.2570263     1.834518  -4.133867      2.423709  4.943366       2.807111  55.81578 27.34244 131.5391 40.96928 -75.72330      49.25536 
1 1 1 -28 2  21 o 112.6890 39.77333 3.468415       2.626508  3.941736       2.921075  1.470274       6.001748  118.5631 41.93387 116.1578 52.28555 2.405312       67.02409 
1 1 1 -28 2  22 o 189.2532 25.85283 9.290024       2.241352  4.976219       3.161098  13.65138       3.178473  128.4988 43.72034 225.9154 30.70460 -97.41660      53.42509 
1 1 1 -28 2  23 o 295.0218 17.42871 21.46032       2.408000  21.69002       3.344590  21.21312       3.469706  289.9666 24.75756 285.3235 26.14216 4.643158       36.00484 
1 1 1 -28 2  24 o 193.0992 23.95926 9.721351       2.129565  11.53636       3.154833  8.202105       2.886361  200.6850 34.67282 165.5122 37.89003 35.17281       51.36009 
1 1 1 -28 2  25 o 175.5289 33.55466 8.968846       2.669589  7.226517       6.722066  9.295101       2.908813  128.7108 56.78817 175.8048 36.37311 -47.09407      67.43812 
1 1 1 -28 2  26 o 99.39130 45.39339 2.160788       4.727742  -2.419144      6.619621  6.929252       6.754494  92.54578 45.30379 120.8602 54.83294 -28.31442      71.12724 
1 1 1 -28 2  27 o 86.64007 41.32847 -0.5861339E-01 4.686014  5.436980       6.621160  -5.573722      6.632905  108.7194 51.03217 82.74091 41.33622 25.97848       65.67316 
1 1 1 -28 2  28 o 97.94721 45.00653 4.009366       4.743818  4.375743       6.911979  3.683116       6.522493  98.66917 47.84887 96.90903 46.86707 1.760147       66.97788 
1 1 1 -28 2  29 f 84.94408 42.25463 0.9768134      6.623015  0.9768134      6.623015  0.000000       0.000000  84.94408 42.25463 ?        ?        0.000000       42.25463 
1 1 1 -28 4  1  o 156.0810 61.85058 3.799291       6.753304  -2.287456      11.55264  6.958978       8.323593  165.4395 73.64387 185.0132 69.90642 -19.57376      101.5398 
1 1 1 -28 4  2  o 171.4912 62.12122 6.426710       6.451170  -3.641499      11.79382  10.72533       7.706245  162.6246 73.23917 207.3665 68.22508 -44.74187      100.0931 
1 1 1 -28 4  3  o 312.4205 30.84319 23.56458       4.473646  20.36562       5.697056  28.70987       7.225212  286.4592 43.65880 340.0981 46.37109 -53.63892      63.68962 
1 1 1 -28 4  4  o 594.2925 16.56039 83.50148       4.629565  73.56783       7.013672  91.17138       6.162910  555.4894 26.84110 619.9795 21.13193 -64.49005      34.16143 
1 1 1 -28 4  5  o 329.3182 23.11613 25.90524       3.558276  24.72721       5.022109  27.09275       5.042276  318.8599 34.00711 334.3835 32.46542 -15.52362      47.01582 
1 1 1 -28 4  6  o 625.4985 15.70244 92.51709       4.620222  89.39572       6.034684  96.93818       7.182024  613.5889 20.90777 638.0159 23.93019 -24.42700      31.77717 
1 1 1 -28 4  7  o 212.0386 24.01504 10.85007       2.353107  8.817035       3.265155  13.04697       3.394186  187.2267 38.36324 230.6667 32.15553 -43.43994      50.05713 
1 1 1 -28 4  8  o 491.3225 14.80015 57.10026       3.420597  58.88051       4.709776  55.11297       4.976114  497.7306 20.11577 481.0555 21.99003 16.67508       29.80278 
1 1 1 -28 4  9  o 311.7287 18.05869 23.14468       2.636744  22.50646       3.760537  23.76187       3.698086  305.2094 26.45449 314.0285 25.24789 -8.819031      36.56906 
1 1 1 -28 4  10 o 439.1745 15.35051 45.70660       3.171241  46.38026       4.477448  45.02850       4.492213  440.7859 21.59402 433.6314 22.09594 7.154480       30.89551 
1 1 1 -28 4  11 o 172.8660 35.35950 7.582239       2.778366  8.767515       2.849819  -15.16944      12.48574  186.7607 33.67759 132.9888 64.44814 53.77197       72.71687 
1 1 1 -28 4  12 o 254.7347 26.96895 15.86916       3.182483  26.18312       7.027895  13.20860       3.569431  316.1293 48.83332 229.5107 34.09822 86.61868       59.55990 
1 1 1 -28 4  13 o 354.7852 20.83536 30.29063       3.461990  25.66885       5.571361  33.19772       4.418614  318.2347 37.96679 369.3974 25.58621 -51.16275      45.78352 
1 1 1 -28 4  14 f 350.2268 16.53466 29.25945       2.724042  27.95246       3.378016  31.68975       4.606355  340.1679 21.21629 359.1574 27.47324 -18.98950      34.71181 
1 1 1 -28 4  15 o 665.5208 17.03029 105.9629       5.331545  113.8228       8.492471  100.8499       6.849564  681.6517 26.48514 645.1615 22.56967 36.49017       34.79731 
1 1 1 -28 4  16 o 103.2258 34.39320 2.633801       1.956131  2.526700       2.458970  2.818398       3.228247  105.1056 38.31003 113.7847 43.40464 -8.679092      57.89319 
1 1 1 -28 4  17 o 434.3052 16.97216 45.35225       3.467380  45.51130       5.719504  45.25982       4.359931  425.7220 28.72836 431.0292 21.50323 -5.307251      35.88464 
1 1 1 -28 4  18 o 106.1055 33.37586 2.931989       1.857823  2.893695       2.298013  3.004238       3.156511  107.1052 37.24380 112.9993 42.96401 -5.894142      56.85954 
1 1 1 -28 4  19 o 233.5630 23.44305 13.63819       2.540900  15.11876       2.876282  8.376933       5.422032  244.8273 25.34169 161.4466 57.12813 83.38075       62.49660 
1 1 1 -28 4  20 o 235.9164 20.47495 13.78018       2.249685  12.67046       2.854781  15.59855       3.654325  221.4512 28.03246 242.0900 32.94499 -20.63879      43.25727 
1 1 1 -28 4  21 o 167.5326 28.62587 7.394812       2.174913  8.986212       2.813024  5.029727       3.429313  181.1032 34.27530 130.2001 45.48428 50.90308       56.95275 
1 1 1 -28 4  22 o 97.97269 33.43375 2.552058       1.848646  5.670360       2.657514  -0.3716974     2.573280  138.9701 39.03944 76.20477 34.27512 62.76532       51.95057 
1 1 1 -28 4  23 o 145.1153 31.35098 5.837755       2.077572  5.811534       3.216853  5.856519       2.721212  135.4368 44.05649 139.2343 39.64211 -3.797562      59.26610 
1 1 1 -28 4  24 o 332.3200 17.09996 27.34174       2.664075  33.60591       3.988864  22.29750       3.579443  360.4851 23.65420 290.0587 26.52747 70.42636       35.54192 
1 1 1 -28 4  25 o 138.3023 39.08976 6.102966       2.655933  5.814507       6.900183  6.153136       2.877641  121.9643 55.36743 136.5210 41.29188 -14.55666      69.06932 
1 1 1 -28 4  26 o 277.2140 24.69380 20.72004       3.186404  28.54340       7.867384  19.18490       3.485035  235.1744 67.55051 260.7820 28.89494 -25.60765      73.47101 
1 1 1 -28 4  27 o 68.43795 34.15483 -6.169292      4.476388  -8.763378      6.119520  -3.183710      6.565075  74.68525 37.63130 86.29455 42.78093 -11.60930      56.97651 
1 1 1 -28 4  28 o 100.2525 48.26877 5.294293       6.733029  5.294293       6.733029  0.000000       0.000000  100.2525 48.26877 ?        ?        0.000000       48.26877 
1 1 1 -28 4  29 o 78.00642 39.08070 -2.084126      6.123395  -2.084126      6.123395  0.000000       0.000000  78.00642 39.08070 ?        ?        0.000000       39.08070 
1 1 1 -28 6  1  o 448.2018 29.51780 48.20706       6.188556  55.58859       8.167803  38.25803       9.482491  478.9863 36.52575 390.2982 53.02074 88.68811       64.38423 
1 1 1 -28 6  2  o 168.1732 63.41316 5.722355       6.840177  0.000000       0.000000  5.722355       6.840177  ?        ?        168.1732 63.41316 0.000000       63.41316 
1 1 1 -28 6  3  o 349.1881 26.21485 29.22729       4.274594  29.17700       6.043329  29.27765       6.047051  345.4506 37.80667 346.0664 37.75902 -0.6158142     53.43302 
1 1 1 -28 6  4  o 456.9445 17.99311 49.44233       3.867577  39.09800       5.999927  56.79617       5.058853  402.2480 31.97281 488.9364 21.99533 -86.68839      38.80793 
1 1 1 -28 6  5  o 396.8083 19.19200 37.33717       3.582368  33.37138       5.109569  41.17123       5.023983  372.0143 29.43862 414.5364 25.89383 -42.52213      39.20616 
1 1 1 -28 6  6  o 631.9762 15.54456 94.48016       4.621132  96.61398       6.523260  92.33057       6.547341  637.3206 21.75893 622.8417 22.34694 14.47888       31.19033 
1 1 1 -28 6  7  o 236.2626 22.96937 13.42817       2.520508  11.79668       3.982414  14.51843       3.255522  216.2420 40.64258 244.2361 28.89629 -27.99414      49.86797 
1 1 1 -28 6  8  o 139.3006 34.73537 4.899043       2.268312  3.613255       3.638562  5.716410       2.901041  128.9994 46.66518 149.8905 40.28096 -20.89110      61.64572 
1 1 1 -28 6  9  o 745.3239 19.80715 132.2581       6.944426  120.4519       12.90631  137.0690       8.238692  697.8793 39.47631 757.0906 23.13349 -59.21130      45.75519 
1 1 1 -28 6  10 o 345.8008 16.80748 28.40053       2.733997  28.44499       3.755891  28.35041       3.987397  343.7736 23.36450 342.6701 24.90716 1.103516       34.15064 
1 1 1 -28 6  11 o 603.1567 17.56804 86.58634       4.984514  84.26678       5.203433  112.4257       17.36711  594.5977 18.60362 649.6246 57.42377 -55.02692      60.36211 
1 1 1 -28 6  12 o 537.2157 18.88213 68.92789       4.771654  68.92789       4.771654  0.000000       0.000000  537.2157 18.88213 ?        ?        0.000000       18.88213 
1 1 1 -28 6  13 f 486.6391 18.12379 56.59312       4.148826  43.60880       5.839593  69.82706       5.895459  420.7163 29.69765 537.7852 23.30448 -117.0688      37.74982 
1 1 1 -28 6  14 f 334.0381 16.85062 26.71985       2.639239  29.00568       3.321652  22.80564       4.346639  346.6259 20.46227 302.1324 31.02390 44.49350       37.16433 
1 1 1 -28 6  15 o 180.4661 26.87927 8.154831       2.212192  10.58774       2.779075  3.946907       3.654861  204.8152 29.71216 127.6395 46.67807 77.17565       55.33223 
1 1 1 -28 6  16 o 392.8631 16.15221 36.97604       2.984988  41.89832       3.884367  29.87713       4.664804  416.2691 19.83703 345.2220 28.99388 71.04709       35.13052 
1 1 1 -28 6  17 o 191.3293 24.69623 9.158268       2.170820  9.196280       2.628679  9.076752       3.849438  188.8294 30.64411 178.7512 45.62597 10.07825       54.96172 
1 1 1 -28 6  18 o 86.85484 33.67408 1.471903       1.965175  1.583394       2.456425  1.273679       3.275394  93.26493 37.19355 98.80652 41.53802 -5.541588      55.75631 
1 1 1 -28 6  19 o 99.61559 36.91102 2.355615       2.297592  2.723416       2.527297  0.6037456      5.515697  105.2575 38.76656 112.2613 50.36102 -7.003784      63.55374 
1 1 1 -28 6  20 o 510.1487 15.70844 62.89050       3.769634  67.02966       4.691613  55.35078       6.332039  523.3843 19.05602 462.9659 29.22538 60.41843       34.88918 
1 1 1 -28 6  21 o 412.0304 20.55333 41.99583       3.983647  41.99583       3.983647  0.000000       0.000000  412.0304 20.55333 ?        ?        0.000000       20.55333 
1 1 1 -28 6  22 o 115.7307 33.74390 3.757826       1.950051  7.232750       2.683707  -0.1291427     2.838363  159.0202 36.63145 81.01539 36.25050 78.00477       51.53603 
1 1 1 -28 6  23 o 395.9903 17.44689 38.61527       3.249913  51.84305       5.317342  30.72743       4.106106  447.2598 25.37804 343.8337 25.56997 103.4261       36.02594 
1 1 1 -28 6  24 o 346.5117 22.17940 30.78763       3.596268  32.96671       7.848772  30.20858       4.045970  296.3836 58.37312 338.6726 25.58525 -42.28900      63.73403 
1 1 1 -28 6  25 o 158.1771 64.72076 14.69085       7.656333  14.69085       7.656333  0.000000       0.000000  158.1771 64.72076 ?        ?        0.000000       64.72076 
1 1 1 -28 6  26 o 111.1925 41.53428 4.336809       2.920781  8.929846       7.004084  3.369952       3.213529  125.7848 56.56373 101.8751 41.83520 23.90969       70.35368 
1 1 1 -28 6  27 o 93.20208 45.75268 0.1792806      6.898247  0.1792806      6.898247  0.000000       0.000000  93.20208 45.75268 ?        ?        0.000000       45.75268 
1 1 1 -28 6  28 o 142.7305 61.81511 19.74733       7.649240  19.74733       7.649240  0.000000       0.000000  142.7305 61.81511 ?        ?        0.000000       61.81511 
1 1 1 -28 6  29 o 89.23807 44.17579 4.253865       6.907159  4.253865       6.907159  0.000000       0.000000  89.23807 44.17579 ?        ?        0.000000       44.17579 
1 1 1 -28 8  1  o 499.6376 26.14228 59.71608       6.122881  0.000000       0.000000  59.71608       6.122881  ?        ?        499.6376 26.14228 0.000000       26.14228 
1 1 1 -28 8  2  o 127.4303 48.56639 2.982710       4.039440  4.075506       6.371342  2.248217       5.223424  153.6324 60.33054 132.5805 53.75628 21.05194       80.80540 
1 1 1 -28 8  3  o 414.9170 22.21498 41.05498       4.320143  41.62131       6.769635  40.66588       5.611305  413.5828 35.12875 410.8929 29.22176 2.689941       45.69398 
1 1 1 -28 8  4  o 678.1263 18.34556 109.0214       5.852087  102.8632       8.387385  114.8633       8.169133  655.5951 27.19704 693.6950 25.03445 -38.09991      36.96489 
1 1 1 -28 8  5  o 356.8210 19.26962 30.31107       3.222401  27.40701       4.980615  32.40191       4.226102  335.6873 31.92568 367.5972 24.58155 -31.90982      40.29270 
1 1 1 -28 8  6  o 93.27879 36.77786 1.279062       2.376654  -4.931189      4.199042  4.206302       2.882868  82.83061 39.40284 131.1961 41.61185 -48.36548      57.30733 
1 1 1 -28 8  7  o 141.7788 35.65810 5.087962       2.375866  5.762028       4.149559  4.759216       2.897880  152.5692 50.05737 137.7823 41.38384 14.78699       64.94892 
1 1 1 -28 8  8  o 533.0330 14.60537 67.27848       3.662148  60.41438       4.639328  78.62665       5.965214  503.7630 19.57760 573.7546 22.10195 -69.99155      29.52590 
1 1 1 -28 8  9  o 326.4991 17.72147 25.41827       2.711572  25.09484       3.742034  25.77586       3.934701  322.3002 24.87429 326.3322 25.84338 -4.032013      35.86936 
1 1 1 -28 8  10 o 341.1612 21.91126 27.98635       3.497787  27.98635       3.497787  0.000000       0.000000  341.1612 21.91126 ?        ?        0.000000       21.91126 
1 1 1 -28 8  11 o 88.67093 33.30781 1.507447       1.883504  -0.3847570     2.239362  6.082816       3.482197  75.10258 32.96840 152.4966 45.26564 -77.39398      55.99905 
1 1 1 -28 8  12 o 222.9013 21.26459 12.03694       2.202619  12.43140       2.692258  11.23846       3.830425  225.0116 25.90876 207.6938 40.66151 17.31779       48.21434 
1 1 1 -28 8  13 o 624.2968 17.59282 93.17511       5.166495  106.0345       8.229918  84.81106       6.637336  659.2224 26.53959 591.6246 23.84944 67.59784       35.68117 
1 1 1 -28 8  14 o 362.4208 15.87101 31.35882       2.705745  33.64527       3.341655  27.00601       4.610693  373.7188 19.07196 328.8838 30.13780 44.83508       35.66549 
1 1 1 -28 8  15 o 339.7830 15.86821 27.61559       2.536290  29.19920       3.075751  24.25073       4.483423  347.7151 18.87506 309.8516 31.18367 37.86359       36.45119 
1 1 1 -28 8  16 o 224.0128 28.79655 12.70696       2.964208  13.08561       4.020050  12.25579       4.388140  220.3653 40.26475 209.2378 45.84977 11.12746       61.02009 
1 1 1 -28 8  17 o 80.48177 32.65364 0.9260455      1.928704  -0.5095152     2.185375  5.983162       4.101726  71.52814 31.92100 144.8100 49.79156 -73.28188      59.14516 
1 1 1 -28 8  18 o 77.87736 32.28758 0.7017110      1.938762  1.355630       2.211158  -1.472651      4.032029  88.12722 35.23983 90.17511 41.45655 -2.047890      54.41039 
1 1 1 -28 8  19 o 288.3995 20.34109 20.48458       2.741859  20.47276       3.002242  20.54400       6.730908  286.9462 22.42019 252.3063 57.93490 34.63995       62.12180 
1 1 1 -28 8  20 o 159.0878 30.29713 6.726249       2.184488  5.798695       2.595306  8.980381       4.045839  143.1207 37.93645 170.5180 48.26339 -27.39729      61.38834 
1 1 1 -28 8  21 o 187.6529 25.57737 9.080536       2.198961  11.13188       2.791211  5.724305       3.570258  205.0122 29.81682 136.5355 46.46371 68.47665       55.20796 
1 1 1 -28 8  22 o 188.4366 25.91069 9.257671       2.235981  8.980294       2.901523  9.663255       3.508572  177.9712 35.89689 178.7547 42.37180 -0.7835236     55.53337 
1 1 1 -28 8  23 o 71.08256 31.01177 0.2246593      1.954517  -2.462281      2.521767  4.267114       3.093132  62.87698 30.08252 117.9489 42.97070 -55.07188      52.45417 
1 1 1 -28 8  24 o 188.8084 37.87041 10.74988       3.246469  0.000000       0.000000  10.74988       3.246469  ?        ?        188.8084 37.87041 0.000000       37.87041 
1 1 1 -28 8  25 o 198.4192 33.63132 11.60225       3.026925  16.85791       7.181942  10.46704       3.337862  173.0569 65.03374 180.0896 40.39624 -7.032730      76.55876 
1 1 1 -28 8  26 o 91.27869 38.14452 2.314840       2.736642  9.158740       7.060060  1.104709       2.968744  124.0552 56.19304 83.54411 37.24985 40.51113       67.41816 
1 1 1 -28 8  27 o 121.2108 55.74984 11.18906       7.302827  11.18906       7.302827  0.000000       0.000000  121.2108 55.74984 ?        ?        0.000000       55.74984 
1 1 1 -28 8  28 o 105.7405 50.60037 9.084424       7.143098  9.084424       7.143098  0.000000       0.000000  105.7405 50.60037 ?        ?        0.000000       50.60037 
1 1 1 -28 10 1  o 90.70430 39.28863 -0.2368887     3.090900  -5.062426      6.085817  1.440538       3.588127  105.8041 49.42565 109.8247 44.54543 -4.020668      66.53713 
1 1 1 -28 10 2  o 212.5239 38.24239 11.31387       3.682573  5.466707       6.562669  14.00119       4.449050  162.9357 61.95015 235.8222 41.62831 -72.88649      74.63737 
1 1 1 -28 10 3  o 126.7275 41.76603 3.824857       2.887569  0.8561082      5.011569  5.300238       3.532962  120.9612 51.14398 146.2079 46.03139 -25.24678      68.80840 
1 1 1 -28 10 4  o 224.8982 27.23221 12.30351       2.822249  18.65222       5.055541  9.429252       3.401637  272.9330 40.61461 193.1581 38.78472 79.77493       56.15871 
1 1 1 -28 10 5  o 373.9281 19.25849 33.32545       3.375998  25.07586       4.963392  40.42807       4.605442  319.7827 33.49237 410.5230 23.95269 -90.74036      41.17609 
1 1 1 -28 10 6  o 192.8215 29.08434 9.156397       2.556036  9.157581       4.339781  9.155767       3.162827  187.1069 48.79925 190.5154 36.62234 -3.408432      61.01281 
1 1 1 -28 10 7  o 300.6799 20.46854 21.65520       2.877851  16.79765       4.342061  25.46076       3.843232  259.3344 36.61142 324.6393 25.36827 -65.30481      44.54150 
1 1 1 -28 10 8  o 743.1620 14.54360 130.8876       5.084225  127.4552       6.440589  136.5636       8.282189  731.5427 18.71615 754.6342 23.33132 -23.09143      29.91062 
1 1 1 -28 10 9  o 567.7626 14.45243 76.43941       3.859907  72.50215       4.817153  83.50179       6.451624  551.4905 18.56877 589.6126 23.26125 -38.12213      29.76382 
1 1 1 -28 10 10 o 122.0921 40.29893 3.660048       2.687899  3.660048       2.687899  0.000000       0.000000  122.0921 40.29893 ?        ?        0.000000       40.29893 
1 1 1 -28 10 11 o 45.20681 22.36972 -3.943630      1.764465  -3.968910      2.082541  -3.879310      3.321847  51.53123 25.26465 73.11610 34.85503 -21.58487      43.04852 
1 1 1 -28 10 12 o 499.8363 13.69963 59.34288       3.221113  58.81413       3.942595  60.40433       5.586071  496.3441 16.88612 499.3890 23.77925 -3.044861      29.16494 
1 1 1 -28 10 13 o 100.3252 38.96445 1.882112       2.634691  6.747920       3.978463  -1.918734      3.516236  157.0785 48.74915 84.27838 38.73400 72.80013       62.26397 
1 1 1 -28 10 14 o 280.2956 18.73765 18.98122       2.456357  19.48898       2.877286  17.61662       4.716917  282.7296 21.80261 258.3295 40.11774 24.40009       45.65947 
1 1 1 -28 10 15 f 233.5777 32.39544 14.00714       3.463631  14.00714       3.463631  0.000000       0.000000  233.5777 32.39544 ?        ?        0.000000       32.39544 
1 1 1 -28 10 16 o 445.5762 14.89043 47.53110       3.121035  48.92498       3.669255  43.88375       5.935463  450.6753 17.30792 415.7020 30.56753 34.97327       35.12745 
1 1 1 -28 10 17 o 295.4838 29.78980 22.31665       4.084172  23.18074       4.484003  18.10940       9.894355  299.0797 32.38952 213.5312 76.99715 85.54854       83.53228 
1 1 1 -28 10 18 o 133.7155 33.53423 4.825673       2.105539  4.582758       2.351835  5.806622       4.726096  129.1598 36.88122 141.5415 52.84072 -12.38165      64.43885 
1 1 1 -28 10 19 o 164.0432 31.02161 7.136402       2.306127  6.496694       2.439276  12.52081       7.076834  154.3847 34.46126 184.4302 65.26565 -30.04555      73.80503 
1 1 1 -28 10 20 o 86.49986 34.59221 1.396469       2.130845  2.582446       2.283030  -6.620096      5.935638  101.2086 36.91033 89.28796 43.53338 11.92068       57.07476 
1 1 1 -28 10 21 o 130.2998 32.50128 4.697480       1.985462  5.418427       2.466957  3.371800       3.345253  137.2475 37.25572 112.8686 43.88616 24.37890       57.56721 
1 1 1 -28 10 22 o 190.6213 25.33512 9.467041       2.215494  12.07841       2.913655  5.887654       3.411210  211.6375 30.11642 135.7742 45.42083 75.86333       54.49817 
1 1 1 -28 10 23 o 183.1944 36.75707 9.853632       3.057391  9.774079       5.522459  9.888792       3.671379  154.4948 57.22910 174.8896 44.51377 -20.39474      72.50273 
1 1 1 -28 10 24 o 320.3002 31.60296 28.93876       4.699543  0.000000       0.000000  28.93876       4.699543  ?        ?        320.3002 31.60296 0.000000       31.60296 
1 1 1 -28 10 25 o 244.1331 30.81996 17.13626       3.460525  20.22295       7.469144  16.29258       3.904918  185.7420 66.90866 228.5095 37.63846 -42.76753      76.76863 
1 1 1 -28 10 26 o 75.93689 35.83192 -0.6766767     3.341438  2.718787       6.891481  -1.720274      3.820581  101.0425 48.69400 75.60480 36.39149 25.43771       60.79019 
1 1 1 -28 10 27 o 81.94723 37.47343 1.248973       3.234682  1.585018       6.477577  1.137337       3.733513  92.05606 45.01122 83.57037 38.92950 8.485695       59.51064 
1 1 1 -28 12 1  o 329.8167 21.34040 26.02309       3.293144  25.14269       7.180377  26.25760       3.705880  312.5750 50.56055 330.5749 23.99506 -17.99988      55.96546 
1 1 1 -28 12 2  o 684.2405 16.39504 110.9915       5.277042  104.9346       10.50396  113.0362       6.103143  655.9406 34.16045 689.6554 18.81274 -33.71478      38.99815 
1 1 1 -28 12 3  o 595.5370 17.61804 84.21003       4.935551  83.60746       7.863757  84.60167       6.339743  588.9971 28.38230 595.0960 22.64724 -6.098877      36.31050 
1 1 1 -28 12 4  o 180.0933 31.07163 8.065892       2.537167  11.96190       4.601880  6.364448       3.041125  214.4570 46.92142 157.4569 40.74578 57.00002       62.14369 
1 1 1 -28 12 5  o 629.4222 16.47834 94.03383       4.878931  83.47198       6.754151  105.5589       7.055406  589.8648 24.34159 664.2383 22.58025 -74.37347      33.20212 
1 1 1 -28 12 6  o 448.4978 17.61457 47.83682       3.716222  42.83972       5.395073  52.34840       5.126287  420.3243 27.43673 467.2395 23.32351 -46.91522      36.01056 
1 1 1 -28 12 7  o 537.8393 16.08151 68.71091       4.068634  62.84180       5.430866  76.21880       6.142451  511.9348 22.55200 563.4947 23.17301 -51.55984      32.33545 
1 1 1 -28 12 8  o 382.9159 17.44300 34.91941       3.141910  41.02628       4.540850  29.31034       4.351839  412.3469 23.50757 346.9307 26.87590 65.41620       35.70602 
1 1 1 -28 12 9  o 498.8879 18.90887 59.47665       4.437494  59.47665       4.437494  0.000000       0.000000  498.8879 18.90887 ?        ?        0.000000       18.90887 
1 1 1 -28 12 10 o 255.1591 20.99938 15.74116       2.498125  17.76378       3.107821  12.04816       4.199415  269.7740 24.76641 213.7030 43.25859 56.07098       49.84657 
1 1 1 -28 12 11 o 384.7075 14.34170 35.19324       2.595378  35.30229       3.084169  34.92866       4.804191  384.4366 17.05470 377.0611 27.26959 7.375519       32.16354 
1 1 1 -28 12 12 o 232.4967 18.45562 13.04475       2.001836  14.25800       2.324342  9.560048       3.939196  242.4017 20.57874 187.3525 45.21437 55.04919       49.67720 
1 1 1 -28 12 13 o 463.1937 18.91802 51.63115       4.121997  51.96196       5.847499  51.30441       5.811437  458.4527 27.23718 455.5278 27.24557 2.924927       38.52513 
1 1 1 -28 12 14 o 517.2072 18.13439 64.38574       4.412012  59.15577       5.854138  71.26215       6.712654  489.7610 25.49841 537.1493 26.56623 -47.38824      36.82301 
1 1 1 -28 12 15 o 85.01234 34.68800 0.9889877      2.191711  0.8142093      2.505925  1.557774       4.520627  87.42603 36.51501 113.2062 48.24735 -25.78015      60.50747 
1 1 1 -28 12 16 o 198.4275 22.72788 9.770579       2.083178  9.878645       2.285532  9.240097       5.063848  198.4597 25.03922 173.6467 55.15779 24.81305       60.57511 
1 1 1 -28 12 17 o 388.9191 15.93788 36.39964       2.915808  35.95314       3.320342  37.90438       6.095455  385.1242 18.32790 380.3503 34.44212 4.773987       39.01501 
1 1 1 -28 12 18 o 384.2053 16.50463 35.66021       2.982898  38.61988       3.473949  27.35456       5.819537  398.4610 18.53396 315.3716 40.13762 83.08942       44.21014 
1 1 1 -28 12 19 o 117.6277 35.65622 3.803435       2.144009  3.280904       2.214990  11.56659       8.537584  110.3541 36.59007 171.6831 69.03505 -61.32892      78.13239 
1 1 1 -28 12 20 o 141.3912 34.64979 5.571006       2.286601  5.605128       2.502355  5.398336       5.629107  140.2645 37.28503 134.6932 55.34745 5.571381       66.73465 
1 1 1 -28 12 21 o 198.9542 25.74067 10.27809       2.352548  11.37092       2.772840  7.470407       4.444514  206.6160 29.35477 148.3005 51.78243 58.31555       59.52413 
1 1 1 -28 12 22 o 100.7570 40.71519 2.473747       2.985574  -0.8620690     4.784356  4.601213       3.820794  94.02195 43.88863 121.3206 46.97696 -27.29864      64.28877 
1 1 1 -28 12 23 o 95.03401 40.28289 1.912587       3.121587  -0.3424495     5.287627  3.118963       3.867455  96.87238 45.51389 107.1293 45.09184 -10.25690      64.06862 
1 1 1 -28 12 24 o 108.1408 43.32383 3.775631       3.348866  5.118906       6.779167  3.342016       3.851638  117.2274 53.84225 105.4477 44.72434 11.77975       69.99467 
1 1 1 -28 12 25 o 178.4750 49.16122 12.44761       4.258890  16.04340       7.065307  10.39536       5.337621  159.0941 63.19402 143.0315 55.48501 16.06258       84.09560 
1 1 1 -28 12 26 o 208.2465 44.45347 16.05354       4.222088  21.67658       7.506297  13.45125       5.106444  171.0495 65.95282 160.7500 55.53987 10.29953       86.22327 
1 1 1 -28 14 1  o 89.28703 36.61669 0.8032190      2.457706  9.726517       5.970741  -1.017133      2.696765  190.7396 59.80683 78.67292 35.25909 112.0667       69.42666 
1 1 1 -28 14 2  o 98.41095 35.80445 2.012820       2.146432  5.558859       5.531442  1.384217       2.328922  155.5156 57.34062 93.27612 36.52065 62.23951       67.98312 
1 1 1 -28 14 3  o 581.9206 16.85100 80.45903       4.612738  76.93395       7.285032  82.81808       5.959575  564.3420 27.44225 588.5147 21.52726 -24.17267      34.87836 
1 1 1 -28 14 4  o 449.9174 17.07338 48.13099       3.613445  48.09534       5.565938  48.15696       4.750708  445.5612 26.67866 447.6728 22.63290 -2.111572      34.98570 
1 1 1 -28 14 5  o 334.0274 20.55688 26.77453       3.214362  19.77256       5.150130  31.24257       4.114021  278.7782 40.45404 359.4718 24.47515 -80.69360      47.28173 
1 1 1 -28 14 6  o 289.3024 22.46735 20.21209       3.033564  17.15395       4.844354  22.18490       3.890894  258.5398 41.21665 301.1612 27.77817 -42.62137      49.70351 
1 1 1 -28 14 7  o 125.2834 37.78094 3.988310       2.411704  9.047679       4.000128  1.098989       3.022899  184.1927 46.23699 98.56944 40.53793 85.62322       61.49132 
1 1 1 -28 14 8  o 56.77372 27.57629 -3.789800      2.320631  -5.613880      3.552635  -2.432224      3.064861  70.13428 34.07830 75.73318 35.27634 -5.598907      49.04845 
1 1 1 -28 14 9  o 143.7519 41.62200 5.437817       2.976176  5.437817       2.976176  0.000000       0.000000  143.7519 41.62200 ?        ?        0.000000       41.62200 
1 1 1 -28 14 10 o 490.9357 14.62782 57.35768       3.378109  59.55070       4.146951  53.03211       5.824106  498.8964 17.67051 465.0714 26.73445 33.82501       32.04650 
1 1 1 -28 14 11 o 210.8566 21.08460 10.83199       2.063292  11.12424       2.381533  9.952438       4.131537  212.5500 24.25343 190.4057 46.52382 22.14426       52.46613 
1 1 1 -28 14 12 o 224.2908 19.95935 12.22368       2.083843  10.86695       2.296945  18.53448       4.953879  210.0096 23.66345 264.5418 41.14626 -54.53229      47.46550 
1 1 1 -28 14 13 o 235.8748 26.30374 13.85773       2.868853  12.93995       3.463145  15.86504       5.121634  223.8374 33.95618 239.1401 47.20460 -15.30264      58.14891 
1 1 1 -28 14 14 o 136.4540 51.09267 4.786751       4.424992  0.000000       0.000000  4.786751       4.424992  ?        ?        136.4540 51.09267 0.000000       51.09267 
1 1 1 -28 14 15 o 89.10941 32.34447 1.782300       1.750154  2.350493       1.897913  -1.446422      4.524221  98.17772 33.86322 96.79633 44.28360 1.381386       55.74725 
1 1 1 -28 14 16 o 74.10091 31.24654 0.4152105      1.862546  -1.086208      2.031249  8.344202       4.667897  64.63210 29.60674 166.0098 52.98141 -101.3777      60.69258 
1 1 1 -28 14 17 o 78.92014 32.34048 0.8369893      1.915359  0.9593447      2.067129  0.9434423E-01  5.092682  82.23675 33.63665 107.5655 48.31334 -25.32874      58.86937 
1 1 1 -28 14 18 o 260.7148 21.94552 16.89350       2.666384  18.36270       2.749669  -6.263378      10.91642  272.0614 21.66498 122.2905 59.49399 149.7709       63.31593 
1 1 1 -28 14 19 o 148.6304 32.50248 6.006157       2.209134  6.266390       2.433887  4.789133       5.263432  150.3308 35.06156 131.2482 53.67758 19.08263       64.11393 
1 1 1 -28 14 20 o 111.4561 37.98894 3.472574       2.386672  3.298834       2.566473  4.583829       6.490720  109.6215 39.24889 130.0658 56.63558 -20.44425      68.90620 
1 1 1 -28 14 21 o 129.9852 37.34773 4.976827       2.404596  4.092137       2.790495  7.528400       4.739034  117.3717 41.02819 145.3902 53.15495 -28.01852      67.14730 
1 1 1 -28 14 22 o 109.7132 44.24993 3.447667       3.519209  -0.2071641E-01 5.149973  6.486089       4.820204  98.36411 45.78772 132.8582 52.37860 -34.49408      69.57035 
1 1 1 -28 14 23 o 112.8085 52.27358 3.359097       6.595720  0.000000       0.000000  3.359097       6.595720  ?        ?        112.8085 52.27358 0.000000       52.27358 
1 1 1 -28 14 24 o 95.02426 41.24328 2.256183       3.419921  -4.753270      6.385547  5.075420       4.049690  86.29087 42.67372 115.4260 47.13099 -29.13516      63.57969 
1 1 1 -28 14 25 o 90.94904 43.17461 0.8222356      4.990948  0.000000       0.000000  0.8222356      4.990948  ?        ?        90.94904 43.17461 0.000000       43.17461 
1 1 1 -28 16 1  o 265.0179 21.37230 16.91935       2.641722  12.50595       6.561386  17.77317       2.885965  211.5723 61.95683 271.2164 22.83310 -59.64417      66.03029 
1 1 1 -28 16 2  o 304.2436 17.80736 22.12300       2.537422  5.799644       6.288031  25.29810       2.773243  159.2671 60.61970 325.3008 18.19609 -166.0337      63.29175 
1 1 1 -28 16 3  o 275.6867 21.57308 18.32812       2.775365  11.78052       4.492544  22.36921       3.529392  210.9844 46.51758 303.5275 24.93964 -92.54306      52.78135 
1 1 1 -28 16 4  o 52.20657 25.55018 -3.911155      2.101561  -6.520687      4.176051  -3.026160      2.431951  76.10762 36.97308 62.31350 29.73787 13.79412       47.44839 
1 1 1 -28 16 5  o 224.0481 26.28765 12.32583       2.717875  11.47610       4.756330  12.73781       3.311833  205.9964 49.66415 225.5609 32.12035 -19.56450      59.14596 
1 1 1 -28 16 6  o 227.7464 24.96139 12.69722       2.630360  12.91155       4.151787  12.55351       3.399704  222.6854 41.15036 223.0986 33.42387 -0.4131470     53.01422 
1 1 1 -28 16 7  o 427.3553 17.36012 43.60727       3.489886  37.01873       4.645773  52.14031       5.287069  389.6530 25.48649 463.3886 24.34018 -73.73560      35.24210 
1 1 1 -28 16 8  o 275.2183 30.18717 18.86680       3.843977  18.86680       3.843977  0.000000       0.000000  275.2183 30.18717 ?        ?        0.000000       30.18717 
1 1 1 -28 16 9  o 60.84143 28.79010 -2.333885      2.185108  -4.161830      2.811126  0.4565993      3.473270  63.57502 30.75162 98.03529 42.04853 -34.46026      52.09358 
1 1 1 -28 16 10 o 360.9968 16.42588 31.14793       2.789339  33.77722       3.351320  25.21998       5.032094  374.4265 19.09082 314.8944 34.53841 59.53204       39.46342 
1 1 1 -28 16 11 f 470.3964 14.34511 52.72644       3.174222  54.55434       3.693530  47.56243       6.208104  477.5109 16.44330 436.1028 30.45339 41.40814       34.60912 
1 1 1 -28 16 12 o 630.8907 13.24017 94.72710       3.929315  96.51743       4.507510  89.06065       8.019122  635.7214 15.07303 599.1426 28.45295 36.57880       32.19886 
1 1 1 -28 16 13 o 97.42144 37.16748 1.947085       2.367315  2.729194       2.717326  -0.5157551     4.821992  108.8273 40.17753 105.0964 47.12139 3.730934       61.92463 
1 1 1 -28 16 14 o 301.0667 29.82129 22.96717       4.167815  27.28003       6.114395  19.22414       5.696166  317.9066 41.90849 261.0211 48.16589 56.88544       63.84571 
1 1 1 -28 16 15 o 122.3094 30.31349 3.928755       1.735270  4.674741       1.841459  -1.985434      5.184951  133.6687 30.02025 100.5538 46.50748 33.11496       55.35487 
1 1 1 -28 16 16 o 186.9976 24.29508 8.791187       2.086606  9.118681       2.254019  6.828998       5.517307  189.6703 25.94341 150.9416 56.94323 38.72867       62.57470 
1 1 1 -28 16 17 o 92.51690 34.02173 1.991137       1.945436  2.667531       2.062169  -3.480975      5.865457  102.1590 35.29466 99.11055 46.97748 3.048424       58.75880 
1 1 1 -28 16 18 o 79.95819 33.59646 0.7167115      2.140853  0.4457724      2.356678  1.996004       5.120937  80.39335 34.56324 114.7760 50.13247 -34.38270      60.89238 
1 1 1 -28 16 19 o 176.8311 29.77652 8.330005       2.388857  10.09054       2.688947  1.736773       5.203657  194.4965 30.38385 111.8899 49.63497 82.60661       58.19629 
1 1 1 -28 16 20 o 96.55841 36.93778 2.309638       2.342106  3.193360       2.615467  -1.267402      5.262027  107.4958 39.46019 97.27355 45.60656 10.22224       60.30808 
1 1 1 -28 16 21 o 225.1158 42.33643 15.57634       4.318655  15.82937       5.407687  15.13080       7.175713  209.5301 54.38914 179.6463 65.44921 29.88383       85.09863 
1 1 1 -28 16 22 o 91.38653 40.71310 1.058932       3.538610  -1.272592      5.309124  2.922623       4.746679  92.91132 44.22880 107.6627 47.59967 -14.75134      64.97626 
1 1 1 -28 16 23 o 85.70990 39.46184 0.2432874      3.671705  -3.231272      6.144028  2.173510       4.579382  89.32498 43.70990 99.89066 45.25108 -10.56567      62.91435 
1 1 1 -28 16 24 o 130.1605 50.87146 7.836977       4.512709  8.697979       6.279421  6.917361       6.489639  124.6317 54.94273 116.4121 53.17337 8.219643       76.45986 
1 1 1 -28 18 1  o 297.6425 20.91276 21.33455       2.909442  24.47682       6.991220  20.67636       3.199675  303.0829 50.83698 292.1059 23.48456 10.97699       55.99931 
1 1 1 -28 18 2  o 75.45396 31.77155 0.2934929      1.921214  13.43936       6.179479  -1.113156      2.021390  218.5493 58.81354 65.53770 29.83477 153.0116       65.94805 
1 1 1 -28 18 3  o 400.2660 18.87430 38.30402       3.553766  40.60809       6.220939  37.18787       4.329794  404.3033 32.99767 391.9555 23.59335 12.34775       40.56466 
1 1 1 -28 18 4  o 286.1357 21.93247 19.80674       2.929612  20.58987       4.973378  19.39061       3.625354  284.1415 38.17465 280.7565 27.81663 3.385010       47.23419 
1 1 1 -28 18 5  o 81.98918 34.78476 0.3023557      2.330964  6.734392       4.442063  -2.141796      2.738259  158.7738 51.77702 71.90311 33.44269 86.87069       61.63824 
1 1 1 -28 18 6  o 224.6974 28.32090 12.53381       2.926971  13.72474       4.394762  11.58442       3.923871  228.3831 42.47059 210.0480 41.18443 18.33513       59.16002 
1 1 1 -28 18 7  o 334.5178 20.36532 26.99962       3.189386  29.13536       4.497715  24.83948       4.523340  343.7457 28.06018 315.7133 30.85199 28.03235       41.70394 
1 1 1 -28 18 8  o 149.3356 46.42087 5.982535       3.605871  5.982535       3.605871  0.000000       0.000000  149.3356 46.42087 ?        ?        0.000000       46.42087 
1 1 1 -28 18 9  o 211.3571 26.70266 11.09954       2.595615  12.23238       3.285419  9.218193       4.233907  219.1848 32.87898 182.2681 48.52178 36.91663       58.61221 
1 1 1 -28 18 10 o 307.6925 18.11771 22.80042       2.610770  22.51949       3.053382  23.56421       5.034667  304.3616 21.46417 302.7955 36.05591 1.566071       41.96116 
1 1 1 -28 18 11 o 147.9958 32.15457 5.688792       2.174515  5.905523       2.609397  5.196196       3.933917  148.9254 37.32217 140.0125 48.72691 8.912933       61.37798 
1 1 1 -28 18 12 o 88.10065 32.96239 1.608375       1.841069  1.980229       2.051571  0.7018431E-01  4.172589  94.91931 34.93258 101.8360 44.84578 -6.916710      56.84566 
1 1 1 -28 18 13 o 147.6603 45.99204 6.109296       3.537562  3.373960       5.036726  8.772296       4.969682  128.3983 52.51010 171.3604 54.66494 -42.96207      75.79951 
1 1 1 -28 18 14 o 319.7772 19.36836 24.88990       2.899724  23.69041       3.180550  30.79667       7.057953  310.4904 21.91710 331.4739 46.54772 -20.98355      51.44948 
1 1 1 -28 18 15 o 94.25768 32.17131 2.197410       1.711677  1.777556       1.783228  7.116529       6.103822  88.82217 32.58619 153.4887 59.39166 -64.66655      67.74385 
1 1 1 -28 18 16 o 376.2673 16.37882 34.20486       2.899001  36.09616       3.150428  23.75446       7.405513  385.9033 17.35489 270.1432 59.85159 115.7601       62.31697 
1 1 1 -28 18 17 o 53.24157 25.83914 -3.011582      2.026169  -2.823276      2.107669  -5.306183      7.357383  55.60004 26.82738 103.6913 50.05423 -48.09130      56.79026 
1 1 1 -28 18 18 o 116.2180 35.45641 3.780744       2.115079  3.775549       2.379661  3.800286       4.615396  115.7665 37.90382 121.2696 50.00736 -5.503166      62.74899 
1 1 1 -28 18 19 o 99.86877 36.60376 2.625751       2.249276  4.044339       2.558739  -2.197796      4.718251  117.6555 39.33825 89.73576 42.41475 27.91974       57.84901 
1 1 1 -28 18 20 o 66.90090 31.09720 -1.207219      2.361871  -2.260240      2.693563  2.295912       4.912885  66.23825 31.52381 108.5368 48.18402 -42.29859      57.57994 
1 1 1 -28 18 21 o 256.6342 41.13683 20.40850       4.798339  29.70274       6.678327  10.49049       6.898794  294.2309 50.04328 146.7572 60.88044 147.4736       78.80836 
1 1 1 -28 18 22 o 118.6794 46.67801 5.144937       3.819628  9.655173       5.998212  2.068475       4.953907  140.0518 57.29276 101.3826 46.36602 38.66928       73.70392 
1 1 1 -28 20 1  o 345.7193 18.34611 28.62562       2.972896  24.65517       7.092474  29.47191       3.274433  302.8658 51.63451 350.2340 19.95770 -47.36819      55.35732 
1 1 1 -28 20 2  f 152.5211 30.36761 5.888781       2.102182  1.370393       6.282277  6.458503       2.230781  131.1572 56.41106 159.7583 30.80068 -28.60106      64.27200 
1 1 1 -28 20 3  o 312.8159 22.58434 23.70015       3.300928  13.01812       5.462265  29.84542       4.143013  216.5953 53.84283 349.9538 25.33878 -133.3585      59.50718 
1 1 1 -28 20 4  o 266.5122 25.69058 17.40323       3.180885  24.00724       6.716122  15.49346       3.611647  299.0195 49.47764 248.8119 31.56800 50.20763       58.69051 
1 1 1 -28 20 5  o 234.4039 28.57540 13.64504       3.085627  14.80791       5.083607  12.96671       3.882658  234.1701 47.76824 223.9471 38.22872 10.22299       61.18203 
1 1 1 -28 20 6  o 238.1732 28.34864 14.09374       3.113709  12.11143       4.896062  15.43995       4.034762  209.3195 50.34077 245.6560 35.98246 -36.33649      61.87835 
1 1 1 -28 20 7  o 148.9889 46.87836 5.960770       3.664793  5.960770       3.664793  0.000000       0.000000  148.9889 46.87836 ?        ?        0.000000       46.87836 
1 1 1 -28 20 8  o 119.0532 40.63685 3.526730       2.731018  4.005556       3.579777  2.859988       4.224218  128.1519 46.29772 122.2675 48.76953 5.884338       67.24541 
1 1 1 -28 20 9  f 125.7000 37.28207 4.141260       2.362892  2.220680       2.842201  8.439359       4.251838  105.2635 40.58443 173.1786 49.63508 -67.91513      64.11503 
1 1 1 -28 20 10 o 125.8903 33.97402 4.158620       2.058567  4.143333       2.307635  4.218193       4.555345  125.3928 36.74960 133.5438 51.41009 -8.150993      63.19439 
1 1 1 -28 20 11 o 161.0969 28.38753 6.618999       2.072619  6.656074       2.309418  6.465518       4.698879  160.0950 31.78704 151.7650 53.22943 8.330002       61.99829 
1 1 1 -28 20 12 o 137.5659 31.56829 4.965292       1.999511  6.244202       2.183421  -1.681332      4.977576  154.8818 31.04977 100.4889 46.14768 54.39298       55.62101 
1 1 1 -28 20 13 o 88.79546 35.96630 1.234483       2.335663  0.4253131      2.631175  4.241974       5.072618  85.31441 36.59531 132.8789 53.29007 -47.56451      64.64556 
1 1 1 -28 20 14 o 281.3317 22.47029 19.60040       2.948886  20.28587       3.296526  16.85494       6.597345  284.6573 24.86833 226.8535 60.65219 57.80371       65.55244 
1 1 1 -28 20 15 o 343.0789 15.86555 28.40284       2.560462  29.20254       2.762529  23.52854       6.820245  347.2775 16.91067 275.0715 54.63527 72.20599       57.19251 
1 1 1 -28 20 16 o 324.1689 18.24982 25.72961       2.771589  25.72961       2.771589  0.000000       0.000000  324.1689 18.24982 ?        ?        0.000000       18.24982 
1 1 1 -28 20 17 o 143.1129 32.84365 5.647994       2.164200  7.178121       2.307403  -5.543996      6.240412  162.9231 31.24405 93.31521 45.30125 69.60792       55.03085 
1 1 1 -28 20 18 o 82.60403 34.30414 1.078723       2.193712  0.3361911      2.346821  6.218788       6.174567  77.94122 33.99355 135.3816 56.97912 -57.44038      66.34894 
1 1 1 -28 20 19 o 100.1590 38.03154 2.693013       2.471281  3.578031       3.003273  0.8371649      4.349005  110.7068 41.95235 98.04529 44.28514 12.66151       61.00143 
1 1 1 -28 20 20 o 116.7561 44.65676 4.445814       3.422895  0.2382580      5.155677  7.762148       4.577200  97.90838 45.65485 141.3751 52.15466 -43.46668      69.31431 
1 1 1 -28 22 1  o 345.5078 19.07678 28.67717       3.088490  29.47979       6.728466  28.46292       3.476359  336.2546 43.56200 343.1873 21.64486 -6.932678      48.64307 
1 1 1 -28 22 2  o 437.0082 21.29167 45.97664       4.376920  43.40072       7.765512  47.17598       5.298784  410.7218 40.73031 439.6772 25.73181 -28.95538      48.17763 
1 1 1 -28 22 3  o 186.8232 30.15928 8.792090       2.560184  11.78416       4.564322  7.418580       3.092475  208.1188 47.64975 167.5967 39.81544 40.52216       62.09483 
1 1 1 -28 22 4  o 194.5117 31.10747 9.568495       2.750383  12.62593       4.002872  6.834126       3.785483  219.3960 40.26989 158.6840 47.21706 60.71198       62.05735 
1 1 1 -28 22 5  o 369.5823 19.49479 32.91680       3.377225  29.29847       4.501832  37.57432       5.107543  344.2164 28.04663 390.0672 28.02252 -45.85080      39.64688 
1 1 1 -28 22 6  o 461.4033 18.27265 51.08413       3.965988  46.70857       4.971838  58.73960       6.576363  437.3112 24.26414 486.9131 28.84061 -49.60190      37.68991 
1 1 1 -28 22 7  o 454.0331 25.41099 50.61598       5.405445  50.61598       5.405445  0.000000       0.000000  454.0331 25.41099 ?        ?        0.000000       25.41099 
1 1 1 -28 22 8  o 107.9175 38.96751 2.721648       2.535483  0.7836571      3.158978  6.230678       4.250738  95.80751 40.56221 150.3514 50.70091 -54.54388      64.92976 
1 1 1 -28 22 9  o 98.44568 37.13272 2.053138       2.345901  2.204274       2.760457  1.660226       4.450860  103.7280 39.99540 114.0614 48.21080 -10.33342      62.64114 
1 1 1 -28 22 10 o 82.06655 34.19909 0.6846041      2.191087  1.270417       2.451956  -1.637337      4.881564  91.02461 36.85725 99.95147 45.82689 -8.926857      58.80952 
1 1 1 -28 22 11 o 223.8799 29.99875 12.83527       3.079829  9.388053       3.508657  24.40844       6.428846  184.2511 41.48150 293.3029 48.27586 -109.0519      63.64962 
1 1 1 -28 22 12 o 166.1044 35.14738 7.413196       2.660582  8.094381       2.969766  4.643282       5.988562  172.2414 37.69992 138.0982 56.95668 34.14316       68.30334 
1 1 1 -28 22 13 o 162.3711 36.62408 7.226933       2.730704  7.930908       3.088100  4.702735       5.847558  168.3526 39.64886 136.1491 56.22966 32.20348       68.80267 
1 1 1 -28 22 14 o 157.0620 36.78664 6.853667       2.670152  9.639495       3.007948  -3.501784      5.799329  188.1918 35.27423 97.83432 46.47146 90.35753       58.34268 
1 1 1 -28 22 15 o 214.1392 29.45818 12.04445       2.888797  11.57751       3.164568  14.37872       7.075535  206.6993 33.70858 192.7110 65.41077 13.98828       73.58558 
1 1 1 -28 22 16 o 164.1565 34.65701 7.523656       2.592190  7.523656       2.592190  0.000000       0.000000  164.1565 34.65701 ?        ?        0.000000       34.65701 
1 1 1 -28 22 17 o 165.9150 33.12738 7.682967       2.494954  7.498753       2.755090  8.522593       5.881885  160.5482 37.20767 148.9229 58.11312 11.62531       69.00395 
1 1 1 -28 24 1  o 251.3282 21.96797 15.37897       2.571075  13.43044       6.142855  15.79281       2.830973  214.0269 59.07789 253.8978 23.98743 -39.87085      63.76201 
1 1 1 -28 24 2  o 134.6170 43.54666 4.747463       3.145353  1.193520       5.128261  6.890607       3.982360  118.6765 51.00296 158.3861 48.71017 -39.70962      70.52647 
1 1 1 -28 24 3  o 380.0470 30.82206 36.14745       5.462747  0.000000       0.000000  36.14745       5.462747  ?        ?        380.0470 30.82206 0.000000       30.82206 
1 1 1 -28 24 4  o 111.1058 38.70676 2.993498       2.482645  2.260874       3.082555  4.346017       4.188340  107.7685 42.06543 133.6031 49.77001 -25.83459      65.16559 
1 1 1 -28 24 5  o 74.48691 33.56210 -0.8811072     2.480188  -1.215308      3.146357  -0.3326398     4.030691  82.44866 37.41291 98.54691 43.70155 -16.09825      57.52871 
1 1 1 -28 24 6  o 65.31332 31.73937 -4.729447      3.084026  -4.729447      3.084026  0.000000       0.000000  65.31332 31.73937 ?        ?        0.000000       31.73937 
1 1 1 -28 24 7  o 262.5884 26.86823 17.22726       3.272079  15.25464       3.718477  23.99525       6.887668  243.1805 33.38735 289.1143 52.58162 -45.93384      62.28596 
1 1 1 -28 24 8  f 72.54806 33.39408 -1.485813      2.627266  -0.5700234     3.052173  -4.105232      5.161949  84.33032 37.67260 93.06255 44.09897 -8.732224      57.99952 
1 1 1 -28 24 9  o 84.55121 36.12206 0.4562608      2.545047  -1.422211      2.818613  8.748514       5.922013  75.61451 34.72522 167.6233 59.66217 -92.00875      69.03198 
1 1 1 -28 24 10 o 164.4028 34.49698 7.234030       2.582751  7.214448       2.865983  7.318669       5.958498  162.1049 38.20904 155.3778 59.04092 6.727127       70.32611 
1 1 1 -28 24 11 o 143.8764 41.19421 5.863306       2.930043  6.324147       3.375870  4.456005       5.899335  147.6707 44.73722 135.1516 56.20112 12.51907       71.83303 
1 1 1 -28 24 12 o 306.1170 24.81637 23.58898       3.542755  29.48430       4.257398  10.31510       6.388358  340.6177 26.78712 171.6929 61.87550 168.9248       67.42497 
1 1 1 -28 24 13 o 106.1408 40.24429 2.787113       2.764667  4.109035       3.223913  -0.8867421     5.374541  121.3350 43.92071 102.9578 47.52464 18.37719       64.71182 
1 1 1 -28 24 14 o 223.2199 30.93655 13.28382       3.161104  17.99541       3.811460  2.901308       5.657941  259.2470 31.92900 120.1440 52.58047 139.1030       61.51559 
1 1 1 -28 26 1  o 152.6836 34.98230 6.146915       2.458634  10.40428       5.468663  5.068383       2.752498  186.7706 57.01982 137.3412 40.10290 49.42935       69.71014 
1 1 1 -28 26 2  o 211.7366 27.60546 11.26537       2.684133  17.16706       5.657111  9.550773       3.049211  246.0052 50.57527 190.9672 35.24205 55.03796       61.64300 
1 1 1 -28 26 3  o 227.2319 29.52883 13.08616       3.081749  8.798229       3.723312  22.41380       5.491502  177.7446 44.60302 289.1851 41.56329 -111.4405      60.96668 
1 1 1 -28 26 4  o 223.6341 30.38518 12.76040       3.113694  7.873747       3.696509  24.69679       5.777265  167.0939 45.70765 303.0695 41.62287 -135.9756      61.81952 
1 1 1 -28 26 5  o 104.5438 41.54943 2.086466       3.055872  0.8538353      3.658425  4.931630       5.558164  100.6967 43.17144 140.7776 56.00853 -40.08087      70.71583 
1 1 1 -28 26 6  o 302.1425 30.04477 23.24980       4.213585  23.24980       4.213585  0.000000       0.000000  302.1425 30.04477 ?        ?        0.000000       30.04477 
1 1 1 -28 26 7  o 321.5484 24.86755 25.76035       3.732153  25.20058       4.575813  26.87277       6.450546  312.8340 31.52424 309.3809 45.69904 3.453156       55.51738 
1 1 1 -28 26 8  o 141.3287 40.34243 5.590077       2.814463  5.588541       3.264223  5.594531       5.556229  140.0872 44.26237 142.1687 56.17631 -2.081482      71.51877 
1 1 1 -28 26 9  o 254.2585 25.58838 16.32025       3.018890  16.24574       3.512427  16.53092       5.906011  250.2216 30.47012 229.1912 55.39491 21.03035       63.22202 
1 1 1 -27 1  1  o 331.5792 26.15821 26.24158       4.046906  27.32590       5.809686  25.21950       5.640444  335.9192 37.40118 322.4307 37.91237 13.48856       53.25595 
1 1 1 -27 1  2  o 405.9580 21.83924 39.11375       4.155164  33.25037       5.932188  44.76123       5.821943  371.6356 34.32119 432.9925 28.74710 -61.35684      44.76986 
1 1 1 -27 1  3  o 574.2150 24.21422 78.16824       6.540551  0.000000       0.000000  78.16824       6.540551  ?        ?        574.2150 24.21422 0.000000       24.21422 
1 1 1 -27 1  4  o 364.1162 21.30280 31.48971       3.632865  34.46691       5.410216  29.04506       4.902517  379.1067 30.59849 347.8884 30.25918 31.21832       43.03354 
1 1 1 -27 1  5  o 283.8805 23.81559 19.24737       3.150898  17.13444       4.659075  21.02833       4.277432  264.3708 38.60223 295.2598 31.27312 -30.88898      49.68038 
1 1 1 -27 1  6  o 484.9986 19.41429 55.66161       4.429260  52.05114       6.315832  59.15577       6.213268  466.4280 28.92839 497.9808 26.62037 -31.55280      39.31279 
1 1 1 -27 1  7  o 298.2857 23.54444 21.25748       3.276762  18.32343       4.835690  23.74852       4.455682  273.0603 38.73264 313.7866 30.57475 -40.72629      49.34605 
1 1 1 -27 1  8  o 939.9111 15.75439 208.7737       6.965588  212.4877       10.02930  205.3128       9.681556  945.8908 22.54033 929.9452 22.13189 15.94562       31.58935 
1 1 1 -27 1  9  o 277.0823 18.44266 18.26723       2.390087  21.88264       3.413818  14.79124       3.347348  302.2008 24.21808 246.8607 29.40422 55.34010       38.09362 
1 1 1 -27 1  10 o 460.4731 21.32446 50.41725       4.619038  0.000000       0.000000  50.41725       4.619038  ?        ?        460.4731 21.32446 0.000000       21.32446 
1 1 1 -27 1  11 o 177.9414 25.42351 7.722450       2.067551  3.777519       2.764617  12.72897       3.114463  125.4096 40.84477 228.1268 29.72916 -102.7172      50.51849 
1 1 1 -27 1  12 o 609.7739 19.24655 88.45928       5.520659  88.45928       5.520659  0.000000       0.000000  609.7739 19.24655 ?        ?        0.000000       19.24655 
1 1 1 -27 1  13 o 155.5254 38.76142 6.216516       2.825633  6.858380       3.070115  2.661118       7.225656  163.0404 40.26817 147.5591 61.84673 15.48123       73.80070 
1 1 1 -27 1  14 o 286.7121 21.28424 19.79408       2.850121  20.92450       4.708058  19.14018       3.580809  289.1691 35.34739 279.7296 27.57134 9.439484       44.82875 
1 1 1 -27 1  15 o 277.7141 17.55845 18.47280       2.281980  18.55310       3.171266  18.38658       3.286216  275.9242 24.69391 274.2496 25.77546 1.674591       35.69543 
1 1 1 -27 1  16 o 341.1802 15.68899 27.74377       2.517955  25.49043       3.523031  30.09673       3.600072  323.7162 23.29137 352.5741 21.81373 -28.85785      31.91123 
1 1 1 -27 1  17 o 332.4326 15.72275 26.39523       2.458676  22.64991       3.236497  31.50622       3.780796  304.6544 22.74796 359.7218 22.45553 -55.06744      31.96436 
1 1 1 -27 1  18 o 232.2135 18.89643 13.08967       2.046225  14.99519       2.841552  11.03726       2.949037  245.9414 24.90485 207.6436 31.15323 38.29784       39.88453 
1 1 1 -27 1  19 o 251.4648 33.68034 16.47933       3.883945  16.56064       5.478328  16.39715       5.507242  238.5467 50.39984 236.8262 50.94693 1.720520       71.66403 
1 1 1 -27 1  20 o 158.0264 26.04443 6.382809       1.868579  4.982537       2.620151  7.832052       2.665574  133.8838 39.13651 170.8428 34.35917 -36.95908      52.07897 
1 1 1 -27 1  21 o 201.4511 21.53137 10.11325       2.008776  6.302422       2.736154  14.56871       2.958538  149.4479 38.63681 238.7217 26.80961 -89.27376      47.02721 
1 1 1 -27 1  22 o 640.3943 13.94764 98.67657       4.201627  99.17453       5.923404  98.17229       5.960768  634.7468 19.83817 631.1933 20.07569 3.553528       28.22386 
1 1 1 -27 1  23 f 295.4857 18.84736 21.56936       2.606070  25.74019       4.031147  18.57454       3.415879  314.6703 27.51000 266.9653 27.59901 47.70493       38.96801 
1 1 1 -27 1  24 o 118.8458 41.00716 4.212830       2.783290  5.080262       3.066128  0.1511891      6.634729  128.1220 43.06118 109.7569 51.38004 18.36504       67.03860 
1 1 1 -27 1  25 o 216.1676 21.47148 11.93629       2.154454  12.40583       3.069710  11.48047       3.024509  210.9799 31.92876 201.8233 32.99834 9.156586       45.91663 
1 1 1 -27 1  26 o 126.8336 40.83449 5.271815       2.768244  1.696195       6.958383  5.944125       3.017292  108.3465 51.30050 132.8995 42.61549 -24.55299      66.69199 
1 1 1 -27 1  27 o 145.2207 54.67121 9.906326       5.079966  0.4280618      7.169601  19.46195       7.198801  100.6902 48.80627 184.2276 65.75791 -83.53739      81.89111 
1 1 1 -27 1  28 o 106.1656 47.62215 4.688729       4.930897  5.407254       6.990974  3.977408       6.955840  107.6019 51.08527 103.5878 49.66565 4.014076       71.24873 
1 1 1 -27 1  29 o 95.83459 46.83892 3.570155       6.992144  3.570155       6.992144  0.000000       0.000000  95.83459 46.83892 ?        ?        0.000000       46.83892 
1 1 1 -27 3  1  o 313.4803 27.08314 23.50414       3.954508  32.02720       5.848701  16.32640       5.367297  364.6204 34.51015 256.2756 46.22303 108.3448       57.68465 
1 1 1 -27 3  2  o 537.0692 18.36945 68.15118       4.640831  67.83125       6.926851  68.41177       6.251271  533.5748 27.69281 537.1044 24.74232 -3.529541      37.13588 
1 1 1 -27 3  3  o 788.3900 16.32392 146.7383       6.053894  143.0167       9.062898  149.7368       8.135058  776.4340 24.81380 795.2573 21.74622 -18.82330      32.99428 
1 1 1 -27 3  4  o 872.7904 15.47821 179.7989       6.354774  166.5609       9.275199  191.5106       8.724111  838.1196 23.52599 899.5455 20.61715 -61.42590      31.28161 
1 1 1 -27 3  5  o 769.9635 16.88150 140.0573       6.114351  139.4271       8.205224  140.8442       9.168789  766.8467 22.74640 769.9994 25.31351 -3.152710      34.03193 
1 1 1 -27 3  6  o 686.1516 18.91817 111.3969       6.106164  104.1320       9.490849  116.5280       7.976156  660.2446 30.55842 700.4482 24.20741 -40.20367      38.98481 
1 1 1 -27 3  7  o 282.4664 21.62883 19.03331       2.852045  15.13674       4.472691  21.70333       3.702417  247.3134 39.79594 300.7510 26.43885 -53.43756      47.77792 
1 1 1 -27 3  8  o 206.5717 24.93739 10.30239       2.374184  11.42545       3.694721  9.512486       3.098602  214.3952 38.02758 196.0060 34.88544 18.38924       51.60514 
1 1 1 -27 3  9  o 422.7348 15.30231 42.25034       3.042945  38.22353       4.174964  46.81370       4.444413  400.3324 22.25775 443.9058 21.28405 -43.57346      30.79640 
1 1 1 -27 3  10 o 425.9274 14.76203 42.90087       2.957680  47.43222       4.182219  38.36704       4.183362  446.8712 19.89551 400.8151 22.27555 46.05612       29.86690 
1 1 1 -27 3  11 o 349.4376 15.96760 28.92630       2.624693  29.55703       3.555224  28.17070       3.891248  351.5502 21.60323 342.4170 24.31629 9.133209       32.52663 
1 1 1 -27 3  12 o 386.6880 15.03717 35.42434       2.735244  38.50419       3.660610  31.53111       4.115698  402.1983 19.34835 361.9537 24.31361 40.24457       31.07266 
1 1 1 -27 3  13 o 316.1253 20.06155 23.94387       2.967818  22.21789       3.102079  42.59810       10.19821  303.9521 21.84156 400.9458 55.56523 -96.99362      59.70384 
1 1 1 -27 3  14 o 235.7249 24.82522 13.54270       2.711373  11.54281       3.853340  15.50387       3.815856  211.5704 40.18750 249.0771 33.40998 -37.50673      52.26148 
1 1 1 -27 3  15 o 447.9998 18.52972 47.98764       3.904954  47.98764       3.904954  0.000000       0.000000  447.9998 18.52972 ?        ?        0.000000       18.52972 
1 1 1 -27 3  16 o 81.51315 32.36479 1.001782       1.852513  -2.036221      2.377306  5.698575       2.955913  66.04192 30.86455 146.4989 41.17942 -80.45695      51.46227 
1 1 1 -27 3  17 o 72.09932 30.39573 0.3035907      1.761862  1.642898       2.189352  -2.157725      2.967968  92.69787 35.65284 74.81528 34.80383 17.88259       49.82401 
1 1 1 -27 3  18 o 83.60990 37.59579 -0.8189667     3.093644  0.000000       0.000000  -0.8189667     3.093644  ?        ?        83.60990 37.59579 0.000000       37.59579 
1 1 1 -27 3  19 o 207.0803 21.79589 10.59291       2.091284  10.77334       2.718103  10.33114       3.273881  205.2620 28.95490 196.3285 36.80165 8.933533       46.82678 
1 1 1 -27 3  20 o 133.3200 36.44505 4.878769       2.351029  7.145449       2.600900  -5.246730      5.497141  162.5081 35.05361 90.98161 43.75864 71.52651       56.06758 
1 1 1 -27 3  21 o 221.2355 20.35535 12.11220       2.094614  12.54621       2.863989  11.61307       3.071330  220.3338 28.28570 209.1733 32.25079 11.16048       42.89749 
1 1 1 -27 3  22 o 128.7936 32.81027 4.554078       1.993375  3.219103       2.512422  6.822236       3.274858  109.5560 38.87495 150.9499 43.64748 -41.39391      58.44967 
1 1 1 -27 3  23 o 347.0096 15.92405 29.27282       2.599347  23.72301       3.498698  36.11016       3.883388  304.8467 24.60781 379.5079 21.84531 -74.66125      32.90535 
1 1 1 -27 3  24 o 210.7550 22.08136 11.30150       2.156630  8.062737       3.051392  14.53408       3.048481  164.0194 39.92484 233.9012 28.28087 -69.88181      48.92648 
1 1 1 -27 3  25 o 88.46153 33.65308 1.951350       1.937312  -2.143248      2.812270  5.649362       2.672610  68.04465 32.33303 134.8828 39.55432 -66.83820      51.08785 
1 1 1 -27 3  26 o 94.46616 37.64701 2.371848       2.515121  -0.4756243     6.456341  2.881276       2.730853  100.0038 47.92132 100.1804 39.44737 -0.1766129     62.06889 
1 1 1 -27 3  27 o 83.15378 40.20536 -2.156105      4.793348  1.267241       6.796530  -5.543996      6.761243  101.4598 48.76379 86.27122 42.87896 15.18853       64.93467 
1 1 1 -27 3  28 o 98.86487 45.24531 3.230157       4.728399  11.52200       6.732842  -4.839477      6.642015  130.2121 57.16282 83.29471 41.57493 46.91737       70.68283 
1 1 1 -27 3  29 o 90.40895 44.15072 1.730083       6.174850  1.730083       6.174850  0.000000       0.000000  90.40895 44.15072 ?        ?        0.000000       44.15072 
1 1 1 -27 5  1  o 483.1043 36.00913 56.18312       8.124420  56.18312       8.124420  0.000000       0.000000  483.1043 36.00913 ?        ?        0.000000       36.00913 
1 1 1 -27 5  2  o 846.1609 16.58744 169.0702       6.602396  168.5092       10.14469  169.4824       8.696179  842.4560 25.59895 845.9614 21.85288 -3.505432      33.65791 
1 1 1 -27 5  3  o 216.4924 31.35260 11.40699       3.099957  4.905766       5.079078  15.26649       3.913391  152.4576 55.13673 250.4141 34.10939 -97.95648      64.83448 
1 1 1 -27 5  4  o 326.8064 19.89159 25.36870       3.043391  23.49890       5.273205  26.30259       3.726707  310.7573 36.78712 332.0576 24.02060 -21.30029      43.93497 
1 1 1 -27 5  5  o 527.7437 17.29833 65.83551       4.294342  59.49281       5.739795  73.90012       6.472188  500.4463 24.38202 557.6949 24.67091 -57.24863      34.68625 
1 1 1 -27 5  6  o 227.5828 29.20192 12.56109       3.054111  6.414983       7.057247  13.97741       3.387780  174.3910 64.67570 239.8948 30.72717 -65.50383      71.60381 
1 1 1 -27 5  7  o 166.9983 31.71047 6.898458       2.399959  12.66944       4.784665  4.958383       2.774188  223.4807 47.00389 141.0758 39.97741 82.40492       61.70542 
1 1 1 -27 5  8  o 331.8319 18.64685 26.17369       2.898872  28.39351       4.509704  24.61058       3.784292  343.4230 28.16360 320.3045 25.32259 23.11850       37.87376 
1 1 1 -27 5  9  o 565.9994 14.72656 75.73955       3.920907  85.98601       5.978246  68.00485       5.194077  601.4268 21.13108 534.9888 20.63927 66.43799       29.53815 
1 1 1 -27 5  10 o 359.3370 16.04476 30.57963       2.712091  35.62687       3.853695  25.62673       3.817514  386.2887 21.29002 326.4376 25.05166 59.85110       32.87630 
1 1 1 -27 5  11 o 104.1667 34.00847 2.565947       1.916189  2.089845       2.430922  3.347206       3.113998  102.5617 37.97399 122.3407 43.29366 -19.77903      57.58788 
1 1 1 -27 5  12 o 211.6024 43.13025 11.54456       4.147468  13.90606       4.459239  -3.593936      11.29036  233.1350 42.21583 152.1447 69.73378 80.99030       81.51672 
1 1 1 -27 5  13 o 473.2425 14.26296 53.09260       3.175138  53.54050       3.834372  52.11539       5.663608  474.3939 17.18248 463.9523 26.05627 10.44162       31.21165 
1 1 1 -27 5  14 o 90.79993 36.43036 1.147470       2.371764  0.3855529E-01  3.372548  2.232551       3.336110  94.96542 41.08701 111.7364 43.72062 -16.77094      59.99696 
1 1 1 -27 5  15 o 545.2858 24.44400 72.05708       6.269975  72.05708       6.269975  0.000000       0.000000  545.2858 24.44400 ?        ?        0.000000       24.44400 
1 1 1 -27 5  16 o 425.1269 14.55416 43.03302       2.910550  46.08641       3.758331  38.45797       4.600465  438.4367 18.22296 396.6425 24.78075 41.79419       30.75974 
1 1 1 -27 5  17 o 296.1090 16.55801 21.06295       2.297129  21.48937       2.924408  20.37596       3.711880  297.2074 21.05371 285.7906 27.96915 11.41672       35.00760 
1 1 1 -27 5  18 o 391.3138 18.03362 36.91610       3.319536  45.33294       5.859005  32.93698       4.028496  424.1914 29.54698 365.8463 23.53344 58.34509       37.77362 
1 1 1 -27 5  19 o 320.1356 16.28790 24.72342       2.444740  26.96655       3.255122  21.82097       3.702739  331.6970 20.96996 294.3143 27.04764 37.38272       34.22447 
1 1 1 -27 5  20 o 426.4346 17.68744 44.08650       3.548025  44.56594       4.003202  42.33056       7.661169  427.0330 19.92860 389.9784 42.44794 37.05460       46.89325 
1 1 1 -27 5  21 o 236.9408 19.53924 13.83354       2.158370  16.62564       2.966216  10.69163       3.146552  256.3905 24.90851 198.5312 34.97026 57.85927       42.93429 
1 1 1 -27 5  22 o 257.8282 18.01168 16.31387       2.170785  16.67160       3.031861  15.93759       3.109519  255.4056 25.57922 248.5449 27.03206 6.860733       37.21597 
1 1 1 -27 5  23 o 249.5867 19.57079 15.48372       2.279315  14.16923       3.174730  16.88210       3.274459  230.7085 29.96048 253.9477 27.86917 -23.23918      40.91847 
1 1 1 -27 5  24 o 681.5479 25.96435 120.4816       8.324211  120.4816       8.324211  0.000000       0.000000  681.5479 25.96435 ?        ?        0.000000       25.96435 
1 1 1 -27 5  25 o 382.4956 20.86514 37.11969       3.740013  34.27468       8.341168  37.83560       4.184194  295.4648 61.99157 382.6845 23.35530 -87.21976      66.24519 
1 1 1 -27 5  26 o 194.5503 35.57081 11.31346       3.135367  12.86861       7.703345  11.00469       3.432551  148.8408 63.19635 185.9635 40.39518 -37.12265      75.00366 
1 1 1 -27 5  27 o 230.8502 29.82689 15.29494       3.163225  14.12901       7.232901  15.57068       3.517442  148.1817 61.97572 227.2575 33.94367 -79.07584      70.66232 
1 1 1 -27 5  28 o 99.81454 47.89024 3.258026       6.492731  3.258026       6.492731  0.000000       0.000000  99.81454 47.89024 ?        ?        0.000000       47.89024 
1 1 1 -27 5  29 o 98.20387 47.46690 5.211059       6.668297  5.211059       6.668297  0.000000       0.000000  98.20387 47.46690 ?        ?        0.000000       47.46690 
1 1 1 -27 5  30 o 100.4959 48.14406 9.087397       6.506648  9.087397       6.506648  0.000000       0.000000  100.4959 48.14406 ?        ?        0.000000       48.14406 
1 1 1 -27 7  1  o 137.0186 41.88996 4.561641       2.950227  16.89358       6.639127  1.527359       3.293239  257.1177 56.43981 108.0382 43.07151 149.0795       70.99723 
1 1 1 -27 7  2  o 895.6797 16.36536 189.5025       6.895214  169.4730       10.38536  205.2919       9.220797  844.2106 26.15179 930.9375 21.05613 -86.72693      33.57494 
1 1 1 -27 7  3  o 326.5970 21.64975 25.39351       3.307233  33.14997       6.190430  22.29535       3.912372  369.7741 36.04734 304.7432 27.59129 65.03088       45.39483 
1 1 1 -27 7  4  o 417.6074 23.94263 41.56479       4.683738  42.55198       8.549799  41.14150       5.598558  416.0702 44.36811 414.2249 28.91368 1.845337       52.95782 
1 1 1 -27 7  5  o 208.4345 36.74316 10.76303       3.470951  -0.5900714E-01 12.24062  11.70928       3.619515  176.5719 77.30567 217.6378 36.65742 -41.06592      85.55661 
1 1 1 -27 7  6  o 416.8308 21.71661 41.36526       4.243420  41.43877       10.12309  41.34959       4.673873  404.7405 54.56036 416.2040 23.97410 -11.46353      59.59521 
1 1 1 -27 7  7  o 573.0012 26.75738 78.43871       7.212209  78.43871       7.212209  0.000000       0.000000  573.0012 26.75738 ?        ?        0.000000       26.75738 
1 1 1 -27 7  8  f 219.2228 25.41741 11.62542       2.572483  4.256920       3.740683  18.23722       3.543408  136.5587 47.51566 274.5800 27.81752 -138.0213      55.05954 
1 1 1 -27 7  9  o 285.2021 18.26774 19.37821       2.437912  18.31312       3.366337  20.55292       3.535325  275.3233 26.31274 291.8930 26.02042 -16.56976      37.00571 
1 1 1 -27 7  10 o 660.5402 13.97197 103.2163       4.341364  108.3372       5.968463  97.46275       6.326391  675.1551 18.79272 639.5382 21.02908 35.61688       28.20263 
1 1 1 -27 7  11 o 222.2231 21.57969 11.90032       2.227373  15.96919       2.898448  6.031860       3.480896  256.9872 24.26358 153.2570 45.19765 103.7302       51.29863 
1 1 1 -27 7  12 o 428.5070 17.21200 43.66583       3.469434  44.80201       3.569675  24.28359       14.74371  433.9697 17.48638 272.4944 94.36045 161.4753       95.96702 
1 1 1 -27 7  13 o 253.2639 18.60507 15.38563       2.201017  18.33359       2.707627  9.642720       3.779153  275.8707 21.02305 191.8399 42.94796 84.03081       47.81731 
1 1 1 -27 7  14 o 579.3884 13.91710 79.68848       3.793044  91.86261       4.976469  62.81137       5.859373  620.6462 17.04543 509.5204 24.44670 111.1258       29.80248 
1 1 1 -27 7  15 o 521.2153 23.45796 65.81451       5.751441  65.81451       5.751441  0.000000       0.000000  521.2153 23.45796 ?        ?        0.000000       23.45796 
1 1 1 -27 7  16 o 331.3053 16.06398 26.23180       2.503518  28.83674       3.043947  20.78595       4.401203  345.8906 18.77845 286.0138 33.33817 59.87677       38.26308 
1 1 1 -27 7  17 o 234.7944 26.52196 13.75868       2.877945  15.84721       4.336752  12.11510       3.847149  244.6087 38.99946 212.7519 39.90710 31.85680       55.79905 
1 1 1 -27 7  18 o 198.2495 23.25780 9.759776       2.127744  10.86507       2.714712  7.999284       3.426122  206.6009 28.70924 169.1743 42.96981 37.42651       51.67809 
1 1 1 -27 7  19 o 208.3177 22.66467 10.78796       2.185143  13.18637       2.797125  7.032027       3.500330  228.3722 26.53195 156.1561 45.11696 72.21606       52.34009 
1 1 1 -27 7  20 o 187.7113 30.22288 9.207845       2.578084  10.15212       2.804360  4.054697       6.551210  196.5302 31.39070 134.5192 57.72424 62.01099       65.70741 
1 1 1 -27 7  21 o 50.06594 24.47677 -3.258394      1.913617  -1.664313      2.343920  -6.444709      3.313842  65.73547 30.69635 61.86531 30.62058 3.870163       43.35765 
1 1 1 -27 7  22 o 336.5678 15.99060 27.47781       2.531668  29.76166       3.504588  24.98531       3.661182  345.3479 21.68305 313.3338 25.04902 32.01407       33.13017 
1 1 1 -27 7  23 o 179.8792 25.33277 8.397491       2.084170  7.731316       2.962092  9.050664       2.933046  162.2973 39.23250 178.7698 36.12128 -16.47253      53.32857 
1 1 1 -27 7  24 o 180.6946 26.54314 8.644926       2.188900  8.304035       3.216028  8.939134       2.987711  164.0469 41.61190 174.5963 37.49702 -10.54941      56.01407 
1 1 1 -27 7  25 f 142.8721 38.76250 6.334663       2.671353  -1.450357      6.471539  7.933610       2.932883  99.51511 47.76393 160.1476 39.23964 -60.63244      61.81538 
1 1 1 -27 7  26 o 253.9633 27.23875 17.65451       3.203273  4.167658       7.049685  21.16359       3.595929  113.7510 53.15747 277.1659 27.96269 -163.4148      60.06353 
1 1 1 -27 7  27 o 171.1528 37.93062 9.511645       2.973548  0.9453033      7.194364  11.27653       3.265527  99.46405 48.36789 186.0276 38.58244 -86.56355      61.87129 
1 1 1 -27 7  28 o 169.7299 65.47035 21.61712       7.399191  21.61712       7.399191  0.000000       0.000000  169.7299 65.47035 ?        ?        0.000000       65.47035 
1 1 1 -27 7  29 o 98.25823 47.00735 5.645066       6.155499  5.645066       6.155499  0.000000       0.000000  98.25823 47.00735 ?        ?        0.000000       47.00735 
1 1 1 -27 9  1  o 215.9218 32.82702 11.41879       3.229223  0.000000       0.000000  11.41879       3.229223  ?        ?        215.9218 32.82702 0.000000       32.82702 
1 1 1 -27 9  2  o 404.9734 21.57190 39.01829       4.094641  20.43698       11.92890  41.50001       4.359514  273.9276 84.31431 417.5333 22.27664 -143.6057      87.20752 
1 1 1 -27 9  3  o 550.2212 18.57685 71.68571       4.808157  67.68729       13.80509  72.23770       5.129318  517.3206 57.71336 552.0945 19.75044 -34.77399      60.99928 
1 1 1 -27 9  4  o 466.1283 21.02006 51.56694       4.609022  35.09045       8.699512  57.99644       5.434392  373.6221 50.81705 493.8044 23.39519 -120.1823      55.94379 
1 1 1 -27 9  5  o 315.5006 23.81995 23.83117       3.509111  12.43758       9.571301  25.60048       3.771748  220.5461 76.04726 326.8513 24.71404 -106.3052      79.96230 
1 1 1 -27 9  6  o 689.5356 19.41516 112.8142       6.297484  87.93105       11.24055  124.1974       7.602667  599.0736 40.11946 722.4539 22.37106 -123.3803      45.93512 
1 1 1 -27 9  7  o 392.9508 18.95441 36.64734       3.503627  36.11914       6.002118  36.92034       4.315096  385.1347 33.46268 392.8033 23.46037 -7.668579      40.86734 
1 1 1 -27 9  8  o 354.0503 18.00074 29.82139       2.988079  26.07962       4.456491  32.87753       4.027554  327.9460 29.19355 370.4302 23.23106 -42.48419      37.30879 
1 1 1 -27 9  9  o 92.00605 34.18266 1.636655       1.973087  3.072436       2.677985  -0.6825209E-01 2.918196  116.1347 40.21526 88.97996 38.35859 27.15469       55.57561 
1 1 1 -27 9  10 o 482.8541 13.87614 55.19080       3.151765  55.24545       3.870456  55.08324       5.430097  482.3023 17.05978 478.6862 24.19346 3.616089       29.60338 
1 1 1 -27 9  11 o 377.7960 17.62453 33.95888       3.132163  33.65895       3.225053  38.94174       13.14509  375.9723 18.23525 362.3586 79.31886 13.61374       81.38799 
1 1 1 -27 9  12 o 457.2906 16.79005 49.76179       3.611716  51.34919       3.749617  29.36386       13.44119  464.4057 17.16406 299.5742 88.93481 164.8315       90.57597 
1 1 1 -27 9  13 o 273.9178 21.39357 18.12674       2.734720  25.62723       3.517087  6.658408       4.348987  325.2838 23.13621 158.5046 51.19805 166.7792       56.18296 
1 1 1 -27 9  14 o 339.0571 16.23742 27.41476       2.589759  27.51011       2.944676  27.08918       5.441228  338.4544 18.56648 326.8299 35.98850 11.62457       40.49551 
1 1 1 -27 9  15 o 278.9804 21.64828 18.92008       2.818721  18.65636       3.529640  19.38433       4.683187  274.2080 27.74595 274.0674 37.29424 0.1406250      46.48332 
1 1 1 -27 9  16 o 262.7828 17.48156 16.64495       2.148629  16.81999       2.479285  16.11689       4.306327  263.1162 20.18520 247.8462 38.16087 15.27000       43.17052 
1 1 1 -27 9  17 o 246.4572 27.79277 15.27784       3.165864  19.24792       4.420469  11.09718       4.536190  271.7982 35.41556 196.4609 49.19427 75.33734       60.61632 
1 1 1 -27 9  18 o 196.6803 23.34506 9.630795       2.117684  10.71809       2.460543  6.524395       4.158964  206.3449 25.92150 150.0401 50.15279 56.30481       56.45552 
1 1 1 -27 9  19 o 130.0472 31.29397 4.494114       1.891201  3.159120       2.192549  8.374061       3.737856  109.7921 36.40427 169.5276 45.79242 -59.73544      58.49971 
1 1 1 -27 9  20 o 59.99052 27.57053 -1.016376      1.781299  -0.7229961     2.187350  -1.594046      3.069328  69.36584 31.36202 77.28805 35.75938 -7.922211      47.56374 
1 1 1 -27 9  21 o 248.0469 23.36086 15.47233       2.693678  16.98461       2.954083  8.011297       6.561529  259.1329 24.52611 153.4339 60.91402 105.6990       65.66619 
1 1 1 -27 9  22 o 418.0777 15.73427 42.39937       3.094374  41.05408       4.066146  44.25056       4.769812  405.7447 21.37944 417.7599 24.37785 -12.01517      32.42468 
1 1 1 -27 9  23 o 157.8843 29.85331 6.753306       2.135951  7.063808       2.902025  6.386260       3.155214  153.8927 39.79304 143.4097 43.20662 10.48296       58.73924 
1 1 1 -27 9  24 o 165.3130 36.36762 8.004486       2.751251  8.680143       6.242087  7.841580       3.065031  144.5236 58.70625 159.3221 40.73777 -14.79848      71.45621 
1 1 1 -27 9  25 o 117.8354 42.49572 4.545253       3.014040  0.000000       0.000000  4.545253       3.014040  ?        ?        117.8354 42.49572 0.000000       42.49572 
1 1 1 -27 9  26 o 108.9076 41.18099 3.960215       2.889858  -6.774673      6.250000  6.879346       3.259177  82.13405 40.88758 138.0184 44.29429 -55.88431      60.28083 
1 1 1 -27 9  27 o 140.8549 45.40444 7.808503       3.421728  1.844828       6.977510  9.696791       3.926247  99.39083 48.16926 152.7540 48.57358 -53.36318      68.40811 
1 1 1 -27 9  28 o 166.3735 46.07136 11.33946       3.729018  13.21938       6.912415  10.56778       4.428726  128.3131 57.04983 143.3174 51.53232 -15.00438      76.87824 
1 1 1 -27 11 1  o 233.4918 26.12114 13.16696       2.819858  0.000000       0.000000  13.16696       2.819858  ?        ?        233.4918 26.12114 0.000000       26.12114 
1 1 1 -27 11 2  o 332.1508 20.15216 26.27730       3.133776  0.000000       0.000000  26.27730       3.133776  ?        ?        332.1508 20.15216 0.000000       20.15216 
1 1 1 -27 11 3  o 566.7970 20.79194 76.31882       5.543599  72.44353       13.06298  77.17004       6.122231  536.0447 52.47812 569.3591 22.85884 -33.31439      57.24054 
1 1 1 -27 11 4  o 172.8215 37.62424 7.528460       2.971917  17.34729       7.571504  5.740191       3.231236  254.7039 63.43386 150.8396 43.28068 103.8644       76.79240 
1 1 1 -27 11 5  f 251.0397 30.08048 15.36784       3.481453  12.15517       10.20789  15.79073       3.703503  217.6727 78.23964 254.0353 31.68052 -36.36256      84.41029 
1 1 1 -27 11 6  o 945.8195 21.43144 213.0629       9.535182  160.9394       14.68027  251.0999       12.54066  810.8489 38.48796 1023.743 26.04115 -212.8938      46.47004 
1 1 1 -27 11 7  o 341.7788 21.56827 27.95771       3.449821  25.90388       5.949183  28.99822       4.234463  322.1759 40.12447 346.7159 26.15558 -24.53995      47.89664 
1 1 1 -27 11 8  o 148.8360 35.84698 5.629508       2.479859  7.625092       4.290523  4.628419       3.038867  171.1066 50.09935 136.2537 42.65799 34.85297       65.80006 
1 1 1 -27 11 9  o 278.1217 18.69526 18.49498       2.431674  17.33150       3.132711  20.25862       3.856973  267.4010 25.20238 288.0153 28.85650 -20.61429      38.31263 
1 1 1 -27 11 10 o 173.0065 25.61519 7.359708       2.021630  6.571435       2.426249  9.149822       3.656263  161.1190 33.11924 187.5510 42.43416 -26.43201      53.82882 
1 1 1 -27 11 11 o 130.1537 34.10193 4.330782       2.112983  4.330782       2.112983  0.000000       0.000000  130.1537 34.10193 ?        ?        0.000000       34.10193 
1 1 1 -27 11 12 o 392.4102 14.59382 36.58033       2.693881  38.02911       3.295311  33.66153       4.677332  399.2242 17.54730 371.1328 26.97613 28.09140       32.18104 
1 1 1 -27 11 13 o 322.1724 15.67591 24.72745       2.375694  23.06812       2.706946  30.28986       4.956166  309.8258 18.66052 349.3258 30.46595 -39.50003      35.72659 
1 1 1 -27 11 14 o 252.1156 18.87187 15.34162       2.221887  17.69488       2.527501  7.337684       4.661309  270.4409 20.00983 162.7261 53.03811 107.7148       56.68717 
1 1 1 -27 11 15 f 371.6354 19.43730 33.37186       3.386184  33.85851       4.307110  32.58429       5.479338  371.2756 24.80429 358.5616 32.85112 12.71405       41.16368 
1 1 1 -27 11 16 o 371.1442 20.75890 33.50854       3.609708  32.04519       4.653320  35.71966       5.719996  358.2512 27.83095 374.1973 32.82740 -15.94611      43.03720 
1 1 1 -27 11 17 o 256.9908 19.76393 16.10602       2.370925  18.02025       2.694227  9.535052       4.991735  271.1544 21.29391 177.5989 54.52105 93.55551       58.53183 
1 1 1 -27 11 18 o 218.3105 21.85808 11.78001       2.214527  14.01078       2.504964  3.798802       4.738153  237.8295 22.66488 127.9167 51.43146 109.9127       56.20402 
1 1 1 -27 11 19 o 94.48622 34.29944 2.103743       1.968183  2.072406       2.191852  2.234205       4.472237  95.83524 35.94425 114.6393 48.38370 -18.80407      60.27414 
1 1 1 -27 11 20 o 129.7333 45.93595 4.789535       3.506184  8.287753       4.471989  -0.7916172     5.648579  162.3150 51.86356 106.6103 49.03304 55.70473       71.37273 
1 1 1 -27 11 21 o 235.2502 26.35135 14.20836       2.866007  14.20836       2.866007  0.000000       0.000000  235.2502 26.35135 ?        ?        0.000000       26.35135 
1 1 1 -27 11 22 o 245.0967 21.00005 15.04530       2.397798  17.95141       3.183188  11.23340       3.645666  263.7450 25.99518 195.7906 40.90250 67.95441       48.46405 
1 1 1 -27 11 23 o 312.2089 18.37363 24.16904       2.686524  26.08276       3.530627  21.53712       4.140464  319.0468 23.69409 280.7126 31.92360 38.33429       39.75583 
1 1 1 -27 11 24 o 157.7274 40.50979 7.770275       3.021384  5.439953       5.891138  8.602006       3.519513  124.7984 54.14845 161.3360 44.78776 -36.53761      70.27090 
1 1 1 -27 11 25 o 88.54488 38.87227 1.247536       3.113739  0.000000       0.000000  1.247536       3.113739  ?        ?        88.54488 38.87227 0.000000       38.87227 
1 1 1 -27 11 26 o 116.3845 42.91203 4.923131       3.097919  -3.944709      6.468204  7.562836       3.529007  87.44972 43.19145 140.1434 46.17176 -52.69366      63.22447 
1 1 1 -27 11 27 o 95.66122 41.30423 3.018673       3.394433  -3.385850      6.327628  5.606421       4.022153  84.20792 41.78970 112.6562 46.58944 -28.44824      62.58558 
1 1 1 -27 11 28 o 112.3170 44.77323 5.978188       3.558308  9.134959       6.627691  4.699763       4.217726  110.4694 51.59633 100.2484 44.56805 10.22102       68.17986 
1 1 1 -27 13 1  o 114.4044 36.89306 3.123597       2.258941  6.733057       6.433475  2.616019       2.412549  170.8491 62.01338 108.9407 38.14490 61.90840       72.80585 
1 1 1 -27 13 2  o 334.9123 18.21232 26.69177       2.858445  0.000000       0.000000  26.69177       2.858445  ?        ?        334.9123 18.21232 0.000000       18.21232 
1 1 1 -27 13 3  o 351.1282 19.85051 29.40478       3.265306  24.22368       7.037092  30.82640       3.686163  307.0929 50.46769 359.0003 21.93303 -51.90747      55.02768 
1 1 1 -27 13 4  o 476.7878 19.42106 54.05102       4.355795  38.73534       8.154097  60.16647       5.152546  392.3927 44.98878 502.3315 21.80531 -109.9388      49.99461 
1 1 1 -27 13 5  o 67.98170 31.84408 -2.428542      2.555435  12.92509       10.72234  -3.353151      2.631256  219.9289 80.02323 64.78259 30.92069 155.1463       85.78931 
1 1 1 -27 13 6  o 349.6799 20.94424 29.26774       3.429261  24.61683       6.796573  30.85613       3.971911  309.1942 48.30973 358.2141 23.70552 -49.01993      53.81247 
1 1 1 -27 13 7  o 460.5294 19.03836 50.50944       4.124356  46.85146       6.985100  52.46730       5.110259  436.3254 34.30915 467.9598 23.21481 -31.63437      41.42517 
1 1 1 -27 13 8  o 317.9172 20.03811 24.21931       2.981344  24.68410       4.063080  23.67717       4.388175  318.4521 27.38979 310.6306 30.42150 7.821503       40.93493 
1 1 1 -27 13 9  o 368.9619 16.32723 32.36411       2.833763  30.25637       3.494063  36.41499       4.843913  354.9148 21.02213 387.0606 26.76849 -32.14584      34.03648 
1 1 1 -27 13 10 o 445.2962 17.24761 47.25115       3.612827  47.25115       3.612827  0.000000       0.000000  445.2962 17.24761 ?        ?        0.000000       17.24761 
1 1 1 -27 13 11 o 529.2180 13.24086 66.43283       3.296248  70.93490       3.892652  55.02378       6.196752  546.1447 15.15195 474.0804 27.91020 72.06427       31.75785 
1 1 1 -27 13 12 o 261.9102 17.22825 16.45677       2.110729  17.69665       2.377650  11.84602       4.585044  271.1551 18.75588 208.6673 47.74505 62.48775       51.29691 
1 1 1 -27 13 13 o 375.2139 14.76985 33.53725       2.606899  34.94238       3.037383  29.60720       5.079737  382.2493 16.89210 343.5379 31.79436 38.71146       36.00312 
1 1 1 -27 13 14 o 313.6226 34.47616 25.13092       5.002273  0.000000       0.000000  25.13092       5.002273  ?        ?        313.6226 34.47616 0.000000       34.47616 
1 1 1 -27 13 15 o 71.91812 32.41439 -0.8343598     2.315483  -1.961356      2.683065  2.454217       4.583255  71.09088 33.07792 120.4490 49.76621 -49.35809      59.75637 
1 1 1 -27 13 16 o 293.5674 23.35885 21.23443       3.199052  23.84067       3.874489  15.65184       5.670543  308.9070 26.93295 230.7256 53.31715 78.18144       59.73359 
1 1 1 -27 13 17 o 207.1095 23.43623 10.66277       2.243087  10.73254       2.461341  10.32088       5.448582  206.6027 25.89485 182.1116 57.13682 24.49107       62.73085 
1 1 1 -27 13 18 o 351.8117 16.87373 29.86270       2.792484  31.11003       3.187666  25.74693       5.790408  357.4120 19.02835 306.6534 41.18219 50.75861       45.36575 
1 1 1 -27 13 19 o 336.1805 19.17684 27.63545       3.020058  31.23787       3.225852  2.073425       8.592999  357.4228 19.25743 134.4680 61.32976 222.9547       64.28210 
1 1 1 -27 13 20 o 277.3561 20.45728 19.02141       2.650200  20.88880       3.113445  14.10912       5.049706  288.8064 23.11098 212.9574 51.06802 75.84906       56.05408 
1 1 1 -27 13 21 o 99.40073 36.12914 2.519877       2.184766  2.653733       2.476096  2.049337       4.642447  102.4224 38.24522 110.6633 48.04195 -8.240921      61.40624 
1 1 1 -27 13 22 o 148.7857 32.22918 6.134880       2.190442  7.525485       2.718908  3.563144       3.697479  161.8492 36.57330 114.3438 45.62179 47.50537       58.47182 
1 1 1 -27 13 23 o 133.1035 43.78974 5.718467       3.174691  6.105827       5.983434  5.566692       3.745353  130.5683 55.57367 129.2125 47.25253 1.355850       72.94679 
1 1 1 -27 13 24 o 140.0824 44.44688 6.699914       3.288836  1.730975       5.958955  8.876517       3.943918  106.4552 49.45356 156.7605 48.51838 -50.30531      69.27978 
1 1 1 -27 13 25 o 271.2543 29.89156 20.82388       3.750798  14.08442       6.856736  23.70170       4.480613  157.2690 62.32209 281.9812 34.49859 -124.7122      71.23339 
1 1 1 -27 13 27 o 175.0553 45.65960 12.18260       3.799125  9.601665       6.484557  13.53151       4.687945  117.7016 53.52534 166.4328 53.09280 -48.73128      75.39103 
1 1 1 -27 15 1  o 96.50721 33.89162 2.036756       1.905201  4.670036       5.704391  1.706138       2.021269  150.8401 57.65987 93.41640 34.61910 57.42373       67.25431 
1 1 1 -27 15 2  o 584.4942 13.79496 80.83923       3.792888  71.25446       8.796421  83.02822       4.203749  539.0789 34.87527 592.0032 15.09536 -52.92438      38.00203 
1 1 1 -27 15 3  o 274.1836 21.26009 18.04745       2.720613  16.25023       4.522667  19.06659       3.405726  254.0350 39.10104 280.4545 26.11557 -26.41951      47.02036 
1 1 1 -27 15 4  o 279.3389 22.86283 18.79981       2.977892  19.83251       5.751253  18.42152       3.480826  277.7602 45.60017 275.1286 27.25387 2.631561       53.12390 
1 1 1 -27 15 5  o 366.5718 24.85568 32.44776       4.260688  6.780619       11.35607  36.65280       4.596470  188.1525 78.08596 389.5530 25.21885 -201.4005      82.05734 
1 1 1 -27 15 6  o 264.0308 26.44899 16.98750       3.240805  17.71910       6.352346  16.73009       3.768068  256.6242 54.31553 260.1765 31.42456 -3.552277      62.75093 
1 1 1 -27 15 7  o 98.08026 37.18503 1.824298       2.360196  1.347808       3.915153  2.096314       2.958140  110.8656 45.91673 107.1748 41.38081 3.690857       61.81195 
1 1 1 -27 15 8  o 196.9399 27.85627 9.595351       2.508632  12.50045       3.634875  6.953032       3.466587  221.9792 36.04690 162.3266 44.20523 59.65265       57.03930 
1 1 1 -27 15 9  o 427.9709 15.16716 43.54378       3.053429  45.62431       3.814655  39.83353       5.094113  436.9178 18.56035 403.8969 26.96698 33.02081       32.73690 
1 1 1 -27 15 10 o 291.5486 20.27755 20.49990       2.763659  20.49990       2.763659  0.000000       0.000000  291.5486 20.27755 ?        ?        0.000000       20.27755 
1 1 1 -27 15 11 o 476.5550 13.92653 53.98186       3.121946  58.43626       3.636522  41.49822       6.087831  495.1604 15.61245 407.7385 31.99727 87.42188       35.60300 
1 1 1 -27 15 12 o 281.4515 16.69540 19.00125       2.200517  19.39425       2.444030  17.31867       5.057065  283.7667 18.40886 254.8657 43.75726 28.90106       47.47193 
1 1 1 -27 15 13 o 195.0781 21.16353 9.303865       1.910926  8.485128       2.061007  14.31926       5.101054  185.1040 24.25330 226.6569 49.25097 -41.55287      54.89882 
1 1 1 -27 15 14 o 196.8140 20.41815 9.461908       1.862840  10.27286       2.004581  4.328181       5.043612  204.9042 21.09879 136.6133 53.66787 68.29088       57.66627 
1 1 1 -27 15 15 o 176.8951 36.30334 8.298689       2.919617  11.08205       3.675766  3.541242       4.805630  202.9220 39.92996 128.8779 51.80397 74.04410       65.40682 
1 1 1 -27 15 16 o 157.6111 35.03161 6.616343       2.529919  3.222355       2.881118  18.04750       5.287507  114.5052 41.50910 254.2981 45.89016 -139.7929      61.87820 
1 1 1 -27 15 17 o 104.6276 34.42555 2.807982       1.962067  3.304701       2.139957  0.1874612      4.915226  112.1388 35.88170 107.6263 47.96303 4.512474       59.89949 
1 1 1 -27 15 18 f 256.9446 20.75443 16.25931       2.487120  17.68767       2.797234  10.86772       5.434611  267.0375 22.47735 183.5072 56.98032 83.53032       61.25348 
1 1 1 -27 15 19 o 205.0478 25.04508 10.67083       2.365514  10.53282       2.600633  11.33220       5.693120  201.8226 28.16017 182.8401 58.52781 18.98256       64.94997 
1 1 1 -27 15 20 o 179.2678 31.14021 8.593403       2.530707  9.017145       2.723794  5.918550       6.843419  182.4615 32.94707 140.0275 59.51262 42.43401       68.02398 
1 1 1 -27 15 21 o 283.1387 22.90662 20.29964       3.024771  22.43846       3.713616  16.08384       5.213758  293.5963 27.19807 222.9448 50.84181 70.65154       57.65956 
1 1 1 -27 15 22 o 240.4256 42.84212 17.60494       4.667657  20.38050       6.096818  13.67420       7.255465  241.2685 54.94884 172.6771 65.26182 68.59142       85.31401 
1 1 1 -27 15 23 o 76.71554 36.13545 -1.615005      3.370809  -8.263972      5.587687  2.189040       4.226470  77.92301 38.77007 102.8029 45.20631 -24.87987      59.55442 
1 1 1 -27 15 24 o 89.59550 39.76862 1.219085       3.345324  8.971463       6.371815  -1.730993      3.930632  135.2112 57.44460 79.89236 38.03818 55.31880       68.89691 
1 1 1 -27 15 25 o 135.7331 48.56757 7.646574       3.929256  11.15339       6.555949  5.680737       4.908545  137.4380 58.32442 115.5353 49.77772 21.90270       76.67828 
1 1 1 -27 17 1  o 145.4260 31.04351 5.330426       2.059003  11.94709       6.288531  4.535910       2.179120  208.4148 60.54720 133.5177 34.46176 74.89713       69.66761 
1 1 1 -27 17 2  o 256.3384 21.40160 15.82395       2.557050  20.69857       6.574603  14.95517       2.775577  279.5367 51.91005 248.3887 24.05627 31.14793       57.21327 
1 1 1 -27 17 3  o 186.4676 27.65457 8.584708       2.352198  8.539758       4.911277  8.598088       2.679503  178.6124 53.92642 185.2498 31.89976 -6.637421      62.65504 
1 1 1 -27 17 4  o 232.2708 25.91239 13.17883       2.782949  23.28715       5.485826  9.675982       3.229338  303.2829 39.38205 194.9190 36.56317 108.3639       53.73836 
1 1 1 -27 17 5  f 588.7094 16.24175 82.42050       4.497831  78.92834       6.362274  85.90964       6.359513  572.6089 23.62028 597.9716 22.60862 -25.36261      32.69659 
1 1 1 -27 17 6  o 284.6950 22.19672 19.58751       2.949121  13.74825       4.134434  25.63615       4.207909  231.3846 39.39670 323.5468 27.92125 -92.16217      48.28764 
1 1 1 -27 17 7  o 205.9326 28.27134 10.51360       2.666413  6.477982       3.735518  14.70571       3.807259  156.3035 46.99452 241.4324 34.50485 -85.12881      58.30154 
1 1 1 -27 17 8  o 325.7629 19.64681 25.52059       2.996582  26.83108       4.050281  23.93579       4.454051  331.2722 26.20539 310.4803 30.90742 20.79187       40.52150 
1 1 1 -27 17 9  o 241.7802 27.11941 14.43185       3.031233  14.43185       3.031233  0.000000       0.000000  241.7802 27.11941 ?        ?        0.000000       27.11941 
1 1 1 -27 17 10 o 513.9110 14.32448 62.82310       3.462869  64.60228       4.004734  57.55054       6.894039  520.2470 16.36420 481.5199 30.59497 38.72711       34.69638 
1 1 1 -27 17 11 o 230.7231 21.00838 12.94144       2.255114  14.33673       2.563654  8.168847       4.741376  242.2672 22.76239 170.5313 53.26677 71.73587       57.92646 
1 1 1 -27 17 12 o 284.3297 16.98077 19.42081       2.260792  20.65069       2.498869  13.87337       5.307106  292.7632 18.23557 221.5218 51.84732 71.24135       54.96072 
1 1 1 -27 17 13 o 209.0798 20.49677 10.66099       1.989966  10.87521       2.170761  9.533295       4.980585  210.5298 22.25687 181.0504 54.22549 29.47939       58.61546 
1 1 1 -27 17 14 o 225.2521 25.99880 12.64953       2.704214  12.32461       3.144098  13.57313       5.300942  219.6018 31.32394 216.1876 52.62182 3.414215       61.23925 
1 1 1 -27 17 15 o 201.0795 27.35259 10.20979       2.520092  8.715693       2.759316  17.72295       6.187606  182.5758 33.35760 243.9908 55.20135 -61.41501      64.49743 
1 1 1 -27 17 16 o 105.3806 36.99551 2.752463       2.270058  4.063615       2.515762  -2.993457      5.266507  122.9343 38.85954 97.38477 45.64825 25.54951       59.94853 
1 1 1 -27 17 17 o 210.5390 22.80307 11.04021       2.222279  13.87494       2.444459  -2.461583      5.334858  236.5714 22.22661 99.01592 46.26176 137.5555       51.32419 
1 1 1 -27 17 18 o 192.3438 26.97847 9.496575       2.373842  11.61194       2.469366  -16.26932      8.618184  214.1797 24.97892 92.90840 46.51935 121.2713       52.80148 
1 1 1 -27 17 19 o 296.7859 20.40355 21.81105       2.831209  23.16852       3.202850  16.95883       6.055388  304.2645 22.53802 225.3028 57.07121 78.96164       61.36029 
1 1 1 -27 17 20 o 139.1359 37.01897 5.567193       2.465312  6.363872       2.846785  3.177747       4.930166  146.7392 40.09999 117.6327 50.26580 29.10649       64.30132 
1 1 1 -27 17 21 o 356.6316 20.08364 31.81586       3.355523  42.98481       4.298709  14.39643       5.368449  411.8937 22.26897 200.7668 55.15102 211.1269       59.47724 
1 1 1 -27 17 22 o 134.5587 51.41116 6.657274       4.533615  1.340666       5.844749  14.68787       7.183275  106.7834 49.38500 173.4415 65.06687 -66.65808      81.68584 
1 1 1 -27 17 23 o 92.80242 41.12138 1.416357       3.561898  0.2673900      5.838973  2.097323       4.495160  99.50829 47.07965 101.1979 45.42632 -1.689651      65.42204 
1 1 1 -27 17 24 o 186.4639 44.81969 12.23359       3.882627  21.29013       6.703162  7.661039       4.762972  207.7462 63.06294 130.6999 51.89527 77.04623       81.67039 
1 1 1 -27 19 1  o 287.0743 17.80059 19.70643       2.391946  26.23663       6.872922  18.80648       2.551448  317.1602 47.53154 279.9580 19.49591 37.20221       51.37448 
1 1 1 -27 19 2  o 211.9450 24.09575 10.94983       2.359630  19.28954       6.709535  9.772788       2.520652  266.1663 55.39084 198.9601 27.68261 67.20621       61.92312 
1 1 1 -27 19 3  o 384.1762 25.01704 35.78555       4.496355  33.41924       6.185821  38.43639       6.547166  365.1238 36.50458 392.1685 35.88838 -27.04468      51.19141 
1 1 1 -27 19 4  o 364.6386 20.57140 31.95531       3.514138  33.58794       6.049152  31.12366       4.317372  366.3268 35.55163 357.6590 25.83526 8.667847       43.94746 
1 1 1 -27 19 5  o 222.4655 26.86604 12.18113       2.754550  12.58592       4.480641  11.93520       3.492481  218.0922 45.16131 216.7433 35.48275 1.348892       57.43318 
1 1 1 -27 19 6  o 329.1961 20.63449 26.10231       3.179195  33.85793       4.911995  20.51130       4.170563  371.4024 28.32905 287.1707 31.38439 84.23166       42.27901 
1 1 1 -27 19 7  o 57.54869 28.00171 -4.035280      2.420802  -2.121172      3.716486  -5.445898      3.190464  86.59750 39.80792 65.19189 31.81396 21.40561       50.95879 
1 1 1 -27 19 8  o 380.9979 18.60486 34.75803       3.334405  38.75077       4.371509  29.20333       5.156161  399.6306 23.35595 341.8205 32.45636 57.81015       39.98644 
1 1 1 -27 19 9  o 141.6152 40.11999 5.290932       2.794383  5.290932       2.794383  0.000000       0.000000  141.6152 40.11999 ?        ?        0.000000       40.11999 
1 1 1 -27 19 10 o 212.5814 22.20170 11.04033       2.187385  10.19375       2.483260  13.97146       4.620667  202.5040 26.72134 228.0002 44.68016 -25.49619      52.06099 
1 1 1 -27 19 11 o 125.4974 33.17019 4.096195       1.987803  2.783392       2.202463  9.863259       4.616216  106.9961 36.49335 186.7736 51.07300 -79.77757      62.77114 
1 1 1 -27 19 12 o 79.44506 31.37903 1.009144       1.732960  1.010360       1.865493  1.001486       4.681264  81.33936 32.42043 112.7498 48.59449 -31.41039      58.41668 
1 1 1 -27 19 13 o 233.5221 18.19780 13.20275       1.983234  13.31740       2.118988  12.39299       5.631398  234.0802 19.41932 203.2105 56.73929 30.86974       59.97047 
1 1 1 -27 19 14 o 164.3165 31.79962 7.031547       2.369096  7.158412       2.565300  6.296077       6.176600  164.6510 34.23735 151.9448 59.47964 12.70616       68.62961 
1 1 1 -27 19 15 o 305.3118 15.86571 22.44955       2.270771  21.83501       2.398806  27.74970       7.044743  300.5567 17.03685 310.6101 49.90457 -10.05341      52.73254 
1 1 1 -27 19 16 o 188.6111 27.72096 9.113852       2.386112  8.910917       2.581665  10.30321       6.249970  184.7734 30.78559 175.7311 61.40322 9.042358       68.68849 
1 1 1 -27 19 17 o 361.6854 16.88932 31.68216       2.873508  31.68216       2.873508  0.000000       0.000000  361.6854 16.88932 ?        ?        0.000000       16.88932 
1 1 1 -27 19 18 o 198.5305 26.25019 10.14143       2.391363  11.85550       2.786562  5.351304       4.658313  213.3136 28.48174 134.1508 51.89143 79.16281       59.19400 
1 1 1 -27 19 19 o 367.3046 18.09566 33.09985       3.126585  42.64043       3.875712  15.32037       5.290829  415.1560 19.84590 215.8834 52.58620 199.2726       56.20648 
1 1 1 -27 19 20 o 62.33673 29.71971 -2.304155      2.416519  -1.417989      2.774559  -5.088391      4.918013  72.00523 33.54798 81.73767 39.80251 -9.732445      52.05484 
1 1 1 -27 19 21 f 95.23482 41.74930 1.392465       3.580357  8.968491       5.475251  -4.267209      4.732374  148.3220 56.53941 80.93466 39.32747 67.38730       68.87201 
1 1 1 -27 19 22 f 109.2101 44.29336 3.716173       3.547394  4.289536       5.505425  3.309126       4.638725  115.1624 51.07185 108.5931 47.56525 6.569313       69.79102 
1 1 1 -27 21 1  o 387.2025 15.53588 35.62992       2.829719  40.93341       8.036526  34.87933       3.023335  399.4360 43.47322 382.7708 16.79106 16.66519       46.60323 
1 1 1 -27 21 2  o 258.5696 21.60788 16.15370       2.604117  17.16112       6.572598  15.96611       2.836232  248.6825 57.35579 256.3402 23.79228 -7.657654      62.09476 
1 1 1 -27 21 3  o 90.68585 36.23022 1.190993       2.334875  5.493461       6.116488  0.4570867      2.526177  155.0058 59.59792 86.47897 36.42387 68.52680       69.84705 
1 1 1 -27 21 4  o 368.6842 20.71321 32.71070       3.577735  20.80669       4.981508  45.39240       5.141653  285.9268 37.97660 432.1284 25.40595 -146.2017      45.69118 
1 1 1 -27 21 5  f 259.9363 25.03606 16.51279       3.023416  7.565246       4.233534  25.82640       4.319266  167.1913 49.97533 323.8425 28.64911 -156.6512      57.60473 
1 1 1 -27 21 6  o 342.3821 20.60368 28.26103       3.302920  29.44613       4.494681  26.86980       4.869921  346.0901 27.84396 328.2850 31.94009 17.80508       42.37281 
1 1 1 -27 21 7  o 424.2258 18.50980 43.10195       3.693756  36.31825       4.564394  55.97503       6.287690  385.6845 25.29850 477.1431 28.13841 -91.45859      37.83892 
1 1 1 -27 21 8  o 397.3877 21.51938 38.21013       4.007670  38.21013       4.007670  0.000000       0.000000  397.3877 21.51938 ?        ?        0.000000       21.51938 
1 1 1 -27 21 9  o 230.6423 24.28000 13.07656       2.594686  12.31952       2.928123  15.84424       5.598696  221.9175 28.72371 238.1754 51.47327 -16.25793      58.94530 
1 1 1 -27 21 10 o 282.5024 22.56023 19.48715       2.973016  21.23846       3.441589  14.33710       5.901779  293.7133 25.15218 221.5325 56.46642 72.18086       61.81496 
1 1 1 -27 21 11 o 341.8513 17.45486 28.12425       2.797518  28.12425       2.797518  0.000000       0.000000  341.8513 17.45486 ?        ?        0.000000       17.45486 
1 1 1 -27 21 12 o 82.67796 32.16322 1.225891       1.797456  2.904860       1.926267  -10.08323      4.999305  106.7034 34.03259 75.16627 37.27588 31.53713       50.47483 
1 1 1 -27 21 13 o 190.6614 28.04122 9.238614       2.439825  10.81351       2.733760  3.073722       5.408760  206.0126 29.01330 128.1493 53.59525 77.86330       60.94442 
1 1 1 -27 21 14 o 231.1540 19.52693 13.06768       2.103399  13.45877       2.239338  10.13674       6.130375  234.1415 20.53914 176.8482 60.86810 57.29326       64.24004 
1 1 1 -27 21 15 o 188.1555 22.57125 8.838420       1.957881  9.383354       2.081330  4.649228       5.770774  193.5674 23.32804 136.0068 55.98118 57.56062       60.64726 
1 1 1 -27 21 16 o 289.9138 22.14919 20.90374       2.997763  23.27966       3.379671  12.13734       6.491861  304.8020 23.75917 184.4040 62.65448 120.3980       67.00807 
1 1 1 -27 21 17 o 183.3376 36.27770 9.338337       3.017902  9.338337       3.017902  0.000000       0.000000  183.3376 36.27770 ?        ?        0.000000       36.27770 
1 1 1 -27 21 18 o 99.05260 36.17208 2.532300       2.193662  2.464371       2.352652  2.984542       6.070355  99.03745 37.22094 120.8387 53.60682 -21.80130      65.26170 
1 1 1 -27 21 19 o 165.2875 36.12101 7.874156       2.730006  11.20993       3.456331  2.341168       4.451401  195.3094 38.98597 108.0260 46.97017 87.28340       61.04181 
1 1 1 -27 21 20 o 110.7739 44.87139 3.556253       3.635690  10.65398       5.937754  -0.7007879     4.598501  157.2989 59.12877 91.97286 42.96421 65.32600       73.08991 
1 1 1 -27 23 1  o 139.2549 31.98334 4.958473       2.050954  2.578775       5.593813  5.328059       2.204473  132.5791 54.89510 144.1051 33.20325 -11.52608      64.15549 
1 1 1 -27 23 2  o 80.27797 34.63549 -0.8221134E-03 2.383133  3.287753       5.464512  -0.7731826     2.648241  135.8628 55.01929 78.74773 35.14133 57.11503       65.28427 
1 1 1 -27 23 3  o 298.2298 21.47375 21.50795       2.992347  30.14269       6.606708  19.27944       3.356348  341.2252 42.04959 280.6033 25.71356 60.62189       49.28849 
1 1 1 -27 23 4  o 135.1794 38.82790 4.767027       2.599342  5.883650       3.796010  3.781213       3.566741  149.0526 47.79985 126.9759 46.16103 22.07674       66.45049 
1 1 1 -27 23 5  o 268.8334 24.30882 17.67220       3.040834  20.48836       4.114759  14.28359       4.513645  286.3247 31.04782 232.3703 42.87259 53.95439       52.93416 
1 1 1 -27 23 6  o 148.3297 39.44016 5.830760       2.799479  4.854491       3.615719  7.291915       4.423418  137.2687 46.75838 162.6964 51.53846 -25.42767      69.58849 
1 1 1 -27 23 7  o 252.2339 25.56429 15.68792       2.991338  12.65969       3.602589  22.41082       5.367822  221.4843 35.79946 293.0623 39.98079 -71.57802      53.66624 
1 1 1 -27 23 8  o 176.4463 37.63243 8.221847       3.028198  8.221847       3.028198  0.000000       0.000000  176.4463 37.63243 ?        ?        0.000000       37.63243 
1 1 1 -27 23 9  o 202.6834 27.73493 10.31843       2.574944  11.97848       2.949360  4.997028       5.280549  217.7202 29.56230 142.6874 55.23318 75.03282       62.64690 
1 1 1 -27 23 10 o 152.3028 32.60916 6.060451       2.265750  6.599915       2.466486  3.145066       5.733834  158.4323 34.10493 131.8911 55.17314 26.54121       64.86310 
1 1 1 -27 23 11 o 211.3935 24.87687 11.14375       2.426419  12.60843       2.660539  3.903092       5.915452  224.6238 25.63871 136.0957 56.40940 88.52805       61.96260 
1 1 1 -27 23 12 o 242.8470 20.28990 14.44196       2.296600  16.27267       2.481277  3.498811       6.066484  257.6943 20.64249 133.0978 56.27240 124.5965       59.93910 
1 1 1 -27 23 13 o 127.1619 33.67389 4.349030       2.046124  5.526654       2.210948  -2.677468      5.400634  143.6160 33.36410 98.97769 46.34098 44.63831       57.10210 
1 1 1 -27 23 14 o 130.6569 33.10134 4.617726       2.036830  5.802459       2.175084  -3.822830      5.805658  147.1475 32.30848 97.60298 46.40118 49.54451       56.54120 
1 1 1 -27 23 15 o 111.0451 35.35998 3.349523       2.080106  1.870285       2.224492  13.64745       5.869305  92.83269 35.87286 199.9456 58.61146 -107.1129      68.71801 
1 1 1 -27 23 16 o 143.9738 43.02900 6.221002       3.138615  6.221002       3.138615  0.000000       0.000000  143.9738 43.02900 ?        ?        0.000000       43.02900 
1 1 1 -27 23 17 o 74.72771 34.30074 -0.9457012     2.745405  -2.664647      3.209481  3.742569       5.300417  72.30330 34.41035 121.1977 51.96259 -48.89443      62.32322 
1 1 1 -27 25 1  o 167.8302 35.98171 7.327608       2.755353  11.64982       5.731238  6.028303       3.142324  201.0091 57.63124 150.2898 42.53297 50.71930       71.62691 
1 1 1 -27 25 2  o 334.5420 21.29453 27.10126       3.333672  23.05292       6.371274  28.62741       3.911895  292.1255 48.03472 342.3259 24.45378 -50.20038      53.90103 
1 1 1 -27 25 3  o 240.0330 27.15689 14.29024       3.012398  7.865637       5.688513  16.79405       3.551211  167.7780 58.58278 259.1989 29.65947 -91.42093      65.66297 
1 1 1 -27 25 4  o 144.7104 37.02546 5.527538       2.530727  5.337840       3.183677  5.853151       4.171082  141.3659 43.56534 147.8404 50.22180 -6.474472      66.48434 
1 1 1 -27 25 5  o 116.4321 39.45559 3.388775       2.574368  1.324190       3.124893  7.749703       4.541594  100.0185 41.18463 165.7153 52.19296 -65.69685      66.48518 
1 1 1 -27 25 6  f 86.35682 36.68739 0.4688365      2.598772  2.531693       3.105979  -4.346017      4.745211  110.2538 42.44903 88.78616 42.13337 21.46764       59.80920 
1 1 1 -27 25 7  o 213.6566 35.53986 11.91064       3.446439  11.91064       3.446439  0.000000       0.000000  213.6566 35.53986 ?        ?        0.000000       35.53986 
1 1 1 -27 25 8  o 113.3416 39.91987 3.183184       2.644560  5.630633       3.035252  -4.530322      5.388450  143.3151 42.18829 94.33208 44.80410 48.98299       61.54071 
1 1 1 -27 25 9  o 194.7555 31.94052 9.828541       2.824710  9.521894       3.163523  11.03448       6.273580  188.8227 36.93924 186.0747 61.57371 2.748032       71.80411 
1 1 1 -27 25 10 o 224.2754 25.53104 12.61732       2.645509  15.24107       2.952325  1.925684       5.959705  246.5344 25.84176 124.1769 54.16476 122.3575       60.01348 
1 1 1 -27 25 11 o 292.3991 20.13500 20.94430       2.752591  23.95273       3.110080  10.06837       5.913364  312.0415 21.31552 175.6193 59.79712 136.4222       63.48265 
1 1 1 -27 25 12 o 163.4096 36.03299 7.298031       2.695314  8.443666       3.041660  3.109394       5.815992  174.7490 38.07843 126.7281 54.38508 48.02087       66.39054 
1 1 1 -27 25 13 o 174.5607 29.16599 7.978532       2.310428  9.199090       2.521913  1.603151       5.763734  187.4128 29.58818 117.2863 52.12328 70.12659       59.93577 
1 1 1 -27 27 1  o 123.3260 45.04390 3.678045       3.401900  3.266944       5.127949  4.001189       4.546403  130.2239 53.08871 132.1397 51.22226 -1.915848      73.77080 
1 1 1 -27 27 2  o 288.7460 30.40056 21.02116       4.067172  18.45125       5.740342  23.61177       5.763427  257.1118 49.25534 297.3351 42.40810 -40.22321      64.99643 
1 1 1 -27 27 3  o 94.85591 37.48998 1.586367       2.475133  2.518849       3.586075  0.7379932      3.420523  113.5376 45.04580 98.21605 41.91613 15.32151       61.53119 
1 1 1 -27 27 4  o 126.6581 39.76335 4.259652       2.638404  1.324218       3.103997  11.90250       5.008558  99.01639 40.93656 202.0941 52.28728 -103.0777      66.40604 
1 1 1 -27 27 5  o 160.2946 37.69154 6.916395       2.794276  7.419867       3.248606  5.484543       5.478458  164.0264 41.93963 145.0579 56.22861 18.96854       70.14692 
1 1 1 -27 27 6  o 97.11648 39.14796 1.586878       2.752837  1.823339       3.262971  1.002973       5.127490  104.0698 42.37854 114.6100 50.10945 -10.54024      65.62695 
1 1 1 -27 27 7  o 164.5868 41.87902 7.557895       3.250308  7.557895       3.250308  0.000000       0.000000  164.5868 41.87902 ?        ?        0.000000       41.87902 
1 1 1 -26 0  1  o 216.6576 58.71483 13.30139       5.172329  13.30139       5.172329  13.30139       5.172329  216.6576 58.71483 216.6576 58.71483 0.000000       0.000000 
1 1 1 -26 0  2  o 556.3840 26.39388 73.47160       6.872492  73.47160       6.872492  73.47160       6.872492  556.3840 26.39388 556.3840 26.39388 0.000000       0.000000 
1 1 1 -26 0  3  o 371.0781 29.61780 33.09760       5.094199  33.09760       5.094199  33.09760       5.094199  371.0781 29.61780 371.0781 29.61780 0.000000       0.000000 
1 1 1 -26 0  4  o 86.70430 53.46234 1.372126       4.265458  1.372126       4.265458  1.372126       4.265458  86.70430 53.46234 86.70430 53.46234 0.000000       0.000000 
1 1 1 -26 0  5  o 84.27190 50.86533 1.643139       3.685517  1.643139       3.685517  1.643139       3.685517  84.27190 50.86533 84.27190 50.86533 0.000000       0.000000 
1 1 1 -26 0  6  o 777.1680 22.31310 142.6795       8.142044  142.6795       8.142044  142.6795       8.142044  777.1680 22.31310 777.1680 22.31310 0.000000       0.000000 
1 1 1 -26 0  7  o 154.7604 54.93133 7.475679       3.641319  7.475679       3.641319  7.475679       3.641319  154.7604 54.93133 154.7604 54.93133 0.000000       0.000000 
1 1 1 -26 0  8  o 159.0578 50.45879 7.551476       3.322142  7.551476       3.322142  7.551476       3.322142  159.0578 50.45879 159.0578 50.45879 0.000000       0.000000 
1 1 1 -26 0  9  o 470.7957 22.65876 52.61594       4.991587  52.61594       4.991587  52.61594       4.991587  470.7957 22.65876 470.7957 22.65876 0.000000       0.000000 
1 1 1 -26 0  10 o 429.4428 21.43483 43.79900       4.305458  43.79900       4.305458  43.79900       4.305458  429.4428 21.43483 429.4428 21.43483 0.000000       0.000000 
1 1 1 -26 0  11 f 549.9073 19.33845 71.53633       4.988395  71.53633       4.988395  71.53633       4.988395  549.9073 19.33845 549.9073 19.33845 0.000000       0.000000 
1 1 1 -26 0  12 o 425.2775 20.61737 42.95065       4.102434  42.95065       4.102434  42.95065       4.102434  425.2775 20.61737 425.2775 20.61737 0.000000       0.000000 
1 1 1 -26 0  13 o 795.2901 18.21194 149.3447       6.805133  149.3447       6.805133  149.3447       6.805133  795.2901 18.21194 795.2901 18.21194 0.000000       0.000000 
1 1 1 -26 0  14 o 219.8305 30.17450 12.06689       2.953244  12.06689       2.953244  12.06689       2.953244  219.8305 30.17450 219.8305 30.17450 0.000000       0.000000 
1 1 1 -26 0  15 o 304.0815 32.98090 22.70809       4.576950  22.70809       4.576950  22.70809       4.576950  304.0815 32.98090 304.0815 32.98090 0.000000       0.000000 
1 1 1 -26 0  16 o 351.3032 21.00648 29.46720       3.442978  29.46720       3.442978  29.46720       3.442978  351.3032 21.00648 351.3032 21.00648 0.000000       0.000000 
1 1 1 -26 0  17 o 295.1697 22.98199 20.98529       3.146523  20.98529       3.146523  20.98529       3.146523  295.1697 22.98199 295.1697 22.98199 0.000000       0.000000 
1 1 1 -26 0  18 o 157.0701 40.57820 6.939431       2.591179  6.939431       2.591179  6.939431       2.591179  157.0701 40.57820 157.0701 40.57820 0.000000       0.000000 
1 1 1 -26 0  19 o 510.9395 18.34267 61.94739       4.395720  61.94739       4.395720  61.94739       4.395720  510.9395 18.34267 510.9395 18.34267 0.000000       0.000000 
1 1 1 -26 0  20 o 125.7415 64.45979 5.859097       4.839979  5.859097       4.839979  5.859097       4.839979  125.7415 64.45979 125.7415 64.45979 0.000000       0.000000 
1 1 1 -26 0  21 o 267.1563 24.36851 17.38334       3.003829  17.38334       3.003829  17.38334       3.003829  267.1563 24.36851 267.1563 24.36851 0.000000       0.000000 
1 1 1 -26 0  22 o 276.0161 24.82884 18.56989       3.163751  18.56989       3.163751  18.56989       3.163751  276.0161 24.82884 276.0161 24.82884 0.000000       0.000000 
1 1 1 -26 0  23 o 161.4608 41.69237 7.408929       2.736774  7.408929       2.736774  7.408929       2.736774  161.4608 41.69237 161.4608 41.69237 0.000000       0.000000 
1 1 1 -26 0  24 o 53.79891 35.41692 -0.3258690     2.282466  -0.3258690     2.282466  -0.3258690     2.282466  53.79891 35.41692 53.79891 35.41692 0.000000       0.000000 
1 1 1 -26 0  25 o 288.3854 25.88905 20.36590       3.446942  20.36590       3.446942  20.36590       3.446942  288.3854 25.88905 288.3854 25.88905 0.000000       0.000000 
1 1 1 -26 0  26 o 116.2558 50.80365 4.821083       2.891257  4.821083       2.891257  4.821083       2.891257  116.2558 50.80365 116.2558 50.80365 0.000000       0.000000 
1 1 1 -26 0  28 o 155.2870 79.28800 10.49346       7.306108  10.49346       7.306108  10.49346       7.306108  155.2870 79.28800 155.2870 79.28800 0.000000       0.000000 
1 1 1 -26 0  29 o 469.8477 45.58178 57.99644       9.856655  57.99644       9.856655  57.99644       9.856655  469.8477 45.58178 469.8477 45.58178 0.000000       0.000000 
1 1 1 -26 2  1  o 1265.887 18.01877 378.2114       10.72974  369.6074       15.21570  386.7220       15.13293  1249.104 25.89547 1277.947 25.17334 -28.84290      36.11472 
1 1 1 -26 2  2  o 337.8051 23.37528 27.12708       3.691595  28.88823       5.655177  25.81937       4.873096  346.4002 35.19431 327.9788 31.99305 18.42142       47.56253 
1 1 1 -26 2  3  o 428.2007 19.95625 43.32107       4.019717  32.24683       5.844244  53.26374       5.537618  366.2851 34.31884 473.5591 24.94676 -107.2740      42.42786 
1 1 1 -26 2  4  o 307.5349 22.91535 22.50528       3.291260  26.66781       5.016011  19.35828       4.361424  333.1321 32.41980 283.1379 33.38833 49.99414       46.53842 
1 1 1 -26 2  5  o 1059.535 17.22323 265.0233       8.584191  288.3101       11.76946  238.5553       12.54763  1103.606 22.67114 1002.662 26.60343 100.9437       34.95316 
1 1 1 -26 2  6  o 198.4961 29.39118 9.569477       2.661393  12.71743       3.603926  5.793698       3.946982  228.2489 34.65511 154.9536 48.63260 73.29533       59.71689 
1 1 1 -26 2  7  o 523.0379 15.72467 64.57279       3.868869  67.74646       5.829965  62.07526       5.171790  534.6251 23.18181 512.0383 21.47183 22.58679       31.59803 
1 1 1 -26 2  8  o 507.7057 15.02199 60.84153       3.587641  61.60075       5.356962  60.22405       4.831074  509.7741 22.33940 504.3775 20.36192 5.396606       30.22675 
1 1 1 -26 2  9  o 315.8866 17.69926 23.66992       2.619411  22.13734       3.557550  25.48454       3.871093  304.1315 25.09083 326.3881 25.41366 -22.25662      35.71279 
1 1 1 -26 2  10 o 258.0422 19.43859 15.86335       2.342197  17.85718       3.086648  13.15696       3.596157  272.9383 24.29507 231.6355 34.01722 41.30284       41.80217 
1 1 1 -26 2  11 o 317.1019 16.72014 23.86158       2.485250  25.33455       3.495548  22.35592       3.534119  325.5200 22.97555 305.2585 24.82694 20.26151       33.82681 
1 1 1 -26 2  12 o 568.4162 13.38704 76.33884       3.579484  84.36731       4.965601  67.65408       5.164571  596.5495 17.69522 533.4609 20.58081 63.08862       27.14204 
1 1 1 -26 2  13 o 419.2203 14.34864 41.58499       2.829583  37.54762       3.610916  48.00874       4.554726  397.3833 19.31694 448.7428 21.57722 -51.35947      28.96067 
1 1 1 -26 2  14 o 376.6489 17.12421 33.69928       3.034007  35.66061       3.533754  28.19858       5.917921  386.4169 19.50365 336.2398 38.08722 50.17712       42.79052 
1 1 1 -26 2  15 o 246.0133 22.22472 14.62251       2.544189  18.29964       4.307413  12.65231       3.152943  270.7435 34.61352 226.0515 30.42358 44.69205       46.08351 
1 1 1 -26 2  16 o 476.7165 13.11332 53.87172       2.940641  53.13604       3.937116  54.79995       4.422456  471.9266 17.73513 478.4880 19.64822 -6.561401      26.46861 
1 1 1 -26 2  17 o 544.1516 12.75095 70.24496       3.263860  68.95891       4.380703  71.84959       4.893314  537.1990 17.33562 547.4773 19.00061 -10.27832      25.72056 
1 1 1 -26 2  18 o 370.9930 14.29134 32.78120       2.494067  32.22269       3.450143  33.39252       3.609540  365.0539 20.16967 371.3484 20.74631 -6.294464      28.93484 
1 1 1 -26 2  19 o 235.8673 18.53410 13.48432       2.039843  14.17488       2.951330  12.85271       2.822526  238.1472 26.81165 226.5466 27.01869 11.60069       38.06408 
1 1 1 -26 2  20 o 94.62778 36.43129 1.826541       2.287695  2.934997       2.498891  -3.912010      5.685770  108.9530 38.75845 98.29837 46.49214 10.65459       60.52881 
1 1 1 -26 2  21 o 267.0707 20.31959 17.52156       2.533613  17.54162       3.618695  17.50228       3.548478  260.8778 30.03642 261.0415 29.41013 -0.1637268     42.03739 
1 1 1 -26 2  22 o 200.1002 22.43833 10.02401       2.075686  9.390140       2.854689  10.73506       3.023505  186.8686 33.71581 200.4089 33.23645 -13.54024      47.34361 
1 1 1 -26 2  23 o 100.2873 33.15557 2.658016       1.819174  2.969158       2.520259  2.319560       2.628558  106.7392 38.80294 100.2829 38.92712 6.456345       54.96352 
1 1 1 -26 2  24 o 80.28400 32.18085 1.177099       1.848809  -0.6527944     2.900902  2.428766       2.399189  78.77901 35.81551 99.02100 37.50315 -20.24199      51.85785 
1 1 1 -26 2  25 o 266.7961 18.34796 17.65541       2.288696  13.60302       3.156402  22.14813       3.323467  223.9294 30.77864 293.4183 24.29742 -69.48894      39.21338 
1 1 1 -26 2  26 o 120.3820 33.56820 4.219313       1.972438  4.945848       2.785704  3.488859       2.793209  125.1347 41.01220 108.5934 40.60653 16.54129       57.71387 
1 1 1 -26 2  27 o 147.6555 40.06816 7.041364       2.854014  7.767540       6.740456  6.882735       3.150350  129.6853 57.05698 142.0453 43.25827 -12.36008      71.60151 
1 1 1 -26 2  28 o 303.0286 42.56151 30.83930       5.899666  33.14507       8.571223  28.76338       8.132805  245.8598 70.47474 226.2712 69.61333 19.58855       99.05910 
1 1 1 -26 2  29 o 147.4728 54.20108 11.39384       4.936679  15.11593       7.055574  7.824020       6.909746  142.7008 60.52898 113.5008 52.90152 29.19996       80.38860 
1 1 1 -26 2  30 o 111.0349 51.61446 9.408443       6.508002  9.408443       6.508002  0.000000       0.000000  111.0349 51.61446 ?        ?        0.000000       51.61446 
1 1 1 -26 4  1  o 900.8149 16.75434 191.4556       7.099574  192.7648       10.77948  190.4527       9.434947  902.0627 25.40339 897.3610 22.35131 4.701721       33.83657 
1 1 1 -26 4  2  f 225.2644 31.92383 12.30509       3.288135  14.41563       5.049545  10.75131       4.332603  240.8406 46.25235 207.4678 45.63492 33.37280       64.97558 
1 1 1 -26 4  3  o 577.9006 16.93469 78.81733       4.603623  77.02104       7.206999  80.05546       5.983418  569.8091 26.88783 581.7642 21.86417 -11.95514      34.65541 
1 1 1 -26 4  4  o 589.7578 15.27817 82.04340       4.238520  80.42867       6.704339  83.11848       5.470464  582.6101 24.46294 593.0546 19.60921 -10.44452      31.35214 
1 1 1 -26 4  5  o 446.4532 17.77435 47.07456       3.732838  42.46210       4.994182  52.91320       5.618931  422.3961 25.25044 471.6478 25.41986 -49.25168      35.82951 
1 1 1 -26 4  6  o 839.7889 14.91736 166.3919       5.892933  164.3512       7.489495  169.7087       9.548246  833.7959 19.09517 846.0330 23.99203 -12.23706      30.66338 
1 1 1 -26 4  7  o 422.1084 15.22773 42.05411       3.023629  40.58442       4.143761  43.72771       4.421894  413.4243 21.38048 429.0632 21.98257 -15.63889      30.66526 
1 1 1 -26 4  8  o 328.2120 18.41815 25.55782       2.832117  25.06243       4.621658  25.85571       3.583852  322.4980 30.84108 329.2800 23.28764 -6.782043      38.64565 
1 1 1 -26 4  9  o 303.2577 18.19567 21.83822       2.583668  18.82878       3.649960  24.86055       3.657768  279.5684 28.13660 322.4906 24.29016 -42.92221      37.17096 
1 1 1 -26 4  10 o 560.4446 14.08237 74.17807       3.712597  73.43207       4.905374  75.17837       5.680255  556.7488 18.73025 562.6990 21.45964 -5.950256      28.48400 
1 1 1 -26 4  11 o 341.8006 15.55567 27.63410       2.501098  29.74035       3.344877  24.96301       3.766761  353.3421 20.20794 322.4928 25.02611 30.84930       32.16624 
1 1 1 -26 4  12 f 418.7519 14.19302 41.46614       2.795767  42.04237       3.604004  40.59540       4.430315  420.9228 18.20177 411.9349 22.95439 8.987915       29.29519 
1 1 1 -26 4  13 o 274.8477 18.17590 18.02407       2.336677  21.06081       2.973482  13.12074       3.778389  296.3977 21.47212 229.1365 36.26142 67.26117       42.14193 
1 1 1 -26 4  14 o 387.5306 18.49081 35.75285       3.370788  35.75285       3.370788  0.000000       0.000000  387.5306 18.49081 ?        ?        0.000000       18.49081 
1 1 1 -26 4  15 o 289.4967 19.41762 20.10227       2.628972  23.14210       3.898348  17.56659       3.560442  307.9490 27.19043 267.4088 28.75667 40.54019       39.57608 
1 1 1 -26 4  16 o 433.1425 23.36349 45.39239       4.742731  45.39239       4.742731  0.000000       0.000000  433.1425 23.36349 ?        ?        0.000000       23.36349 
1 1 1 -26 4  17 o 247.4824 18.48376 14.75339       2.136280  13.75614       2.691198  16.45230       3.512603  236.8118 24.51362 256.9008 29.60852 -20.08907      38.43933 
1 1 1 -26 4  18 o 65.85427 28.91108 -0.2694837     1.722422  -1.436477      2.188151  1.631479       2.792736  65.91121 30.38907 99.10053 39.61241 -33.18932      49.92634 
1 1 1 -26 4  19 o 259.8625 22.01952 16.55727       2.666354  21.58442       5.475780  14.99484       3.052712  282.7271 42.48660 244.7482 26.96266 37.97882       50.31993 
1 1 1 -26 4  20 o 105.1866 31.54247 2.880719       1.684491  0.4438467      2.230872  6.112956       2.569270  80.01313 33.99190 150.1469 36.68869 -70.13375      50.01509 
1 1 1 -26 4  21 o 243.6295 23.74053 14.83331       2.686187  15.99330       2.971403  9.646255       6.283404  251.9955 25.41387 169.8450 61.34136 82.15057       66.39750 
1 1 1 -26 4  22 o 122.5846 30.87967 4.034288       1.779761  5.561375       2.577762  2.643234       2.460270  140.5956 38.04926 103.5044 38.22646 37.09114       53.93522 
1 1 1 -26 4  23 o 205.6647 21.95001 10.61470       2.090752  11.05483       3.056424  10.22763       2.866267  202.2311 33.28739 195.0588 32.37292 7.172272       46.43335 
1 1 1 -26 4  24 o 83.89910 32.93831 1.449360       1.898696  -1.981514      2.844215  4.207402       2.550118  70.76876 33.29158 120.5124 39.22722 -49.74361      51.45002 
1 1 1 -26 4  25 o 147.2067 31.39493 6.010435       2.107633  7.862805       3.177307  4.554888       2.816490  159.8582 41.78535 122.4147 41.27036 37.44349       58.73038 
1 1 1 -26 4  26 o 350.0628 21.49823 31.24900       3.522990  9.164685       7.343421  37.85151       4.015232  140.9595 60.80764 384.2313 22.31119 -243.2718      64.77158 
1 1 1 -26 4  27 o 264.7034 25.89340 18.85071       3.182882  11.01070       7.492312  20.57719       3.515917  140.8931 61.09849 274.3075 27.62367 -133.4144      67.05291 
1 1 1 -26 4  28 o 152.0825 55.78424 11.36210       5.225577  3.094531       7.128358  20.96611       7.682928  105.6590 50.55790 180.4217 67.36894 -74.76270      84.22989 
1 1 1 -26 4  29 o 85.03359 42.12896 -2.636148      6.329463  -2.636148      6.329463  0.000000       0.000000  85.03359 42.12896 ?        ?        0.000000       42.12896 
1 1 1 -26 4  30 o 71.85973 36.33526 -7.473247      6.032615  -7.473247      6.032615  0.000000       0.000000  71.85973 36.33526 ?        ?        0.000000       36.33526 
1 1 1 -26 6  1  o 183.3865 35.18758 8.286994       2.925068  11.81034       6.357177  7.340727       3.294528  216.1046 60.26544 171.5619 41.31592 44.54274       73.06797 
1 1 1 -26 6  2  f 521.0908 22.58363 64.26752       5.535751  74.22121       7.297127  50.77289       8.496506  559.1016 27.74545 458.5373 39.78528 100.5643       48.50442 
1 1 1 -26 6  3  o 292.4076 29.04722 20.52090       3.942544  17.63103       5.360219  23.92687       5.819220  267.1958 44.19126 313.2607 40.43403 -46.06488      59.89806 
1 1 1 -26 6  4  o 789.3194 16.23648 147.0560       6.028566  137.7238       7.491089  164.2093       10.15605  762.9842 20.87181 831.8011 25.95590 -68.81689      33.30677 
1 1 1 -26 6  5  o 1301.604 17.22851 400.1543       10.54863  380.0008       12.39692  453.0321       20.08055  1267.186 20.79716 1378.485 30.96737 -111.2987      37.30282 
1 1 1 -26 6  6  o 472.9882 16.26341 52.83100       3.618523  45.59428       5.210608  59.57194       5.028954  437.4148 25.43341 501.5349 21.31607 -64.12015      33.18483 
1 1 1 -26 6  7  o 490.1225 14.96094 56.70938       3.449315  56.87407       4.843079  56.53984       4.913826  489.9547 21.01340 488.4494 21.38607 1.505249       29.98211 
1 1 1 -26 6  8  o 482.5278 16.96239 55.04877       3.850158  55.14269       6.346157  54.99406       4.843347  479.9415 28.23388 481.5514 21.38128 -1.609924      35.41625 
1 1 1 -26 6  9  o 548.2788 20.50705 71.30455       5.289004  0.000000       0.000000  71.30455       5.289004  ?        ?        548.2788 20.50705 0.000000       20.50705 
1 1 1 -26 6  10 o 177.6319 25.95727 7.685507       2.104935  5.544811       2.751813  10.70452       3.267938  148.3172 38.94416 207.9674 34.62208 -59.65012      52.10889 
1 1 1 -26 6  11 o 333.2355 15.42197 26.27766       2.417466  24.53707       3.001328  29.49285       4.079129  320.7467 19.99162 350.4882 24.90352 -29.74149      31.93509 
1 1 1 -26 6  12 o 342.2136 16.11911 27.75338       2.594822  25.28860       3.120985  33.27156       4.669823  325.2899 20.50120 371.2914 26.92010 -46.00143      33.83772 
1 1 1 -26 6  13 o 140.4971 30.43038 4.959277       1.952948  5.046941       2.277098  4.715435       3.797750  140.9892 34.59382 140.0180 47.91983 0.9712219      59.10197 
1 1 1 -26 6  14 o 63.88420 28.87038 -0.9037983     1.851136  -1.787539      2.094608  2.248472       3.955961  62.73405 29.20181 118.3582 47.20018 -55.62418      55.50318 
1 1 1 -26 6  15 o 227.2125 19.80641 12.44002       2.095764  14.91288       2.511865  6.774928       3.801899  248.3533 21.71933 159.9502 47.25392 88.40311       52.00636 
1 1 1 -26 6  16 o 93.92281 35.57985 1.708568       2.159713  4.958383       2.749436  -3.527394      3.489897  137.8251 40.03373 76.90387 36.38880 60.92126       54.10032 
1 1 1 -26 6  17 o 102.6091 33.11488 2.603677       1.819694  1.700666       2.268322  4.234061       3.047919  94.55487 36.30838 128.6439 42.93462 -34.08905      56.22882 
1 1 1 -26 6  18 o 707.0565 13.15462 118.9561       4.375238  119.8527       5.977541  117.9214       6.421306  706.1766 17.99451 699.1401 19.52494 7.036438       26.55232 
1 1 1 -26 6  19 o 99.62275 33.75452 2.446980       1.884156  5.393952       2.466422  -1.682939      2.919780  141.6093 36.71854 75.95520 35.04928 65.65407       50.76124 
1 1 1 -26 6  20 o 129.0542 31.34576 4.406837       1.884018  4.971088       2.589632  3.772365       2.746049  134.5117 38.79002 119.4026 40.74857 15.10907       56.25932 
1 1 1 -26 6  21 o 212.8300 26.79128 11.54280       2.622791  10.33896       2.857582  17.97860       6.607174  198.3366 31.69575 234.3028 59.75887 -35.96620      67.64424 
1 1 1 -26 6  22 o 306.8483 18.09551 23.00321       2.600383  26.34856       3.559343  19.17360       3.808256  324.4347 23.48113 271.0721 30.38875 53.36261       38.40364 
1 1 1 -26 6  23 o 260.0184 18.49819 16.63128       2.247815  17.11673       3.215426  16.16729       3.143574  257.6892 26.92363 250.2066 27.14424 7.482529       38.23207 
1 1 1 -26 6  24 o 165.4631 28.31714 7.276043       2.124802  5.466085       3.037822  9.009667       2.973073  134.0470 42.73674 177.9946 36.72676 -43.94756      56.34966 
1 1 1 -26 6  25 o 210.6368 25.26508 11.58420       2.453414  12.40488       3.809144  11.00238       3.207272  202.4828 41.38890 195.6927 36.17353 6.790024       54.96877 
1 1 1 -26 6  26 o 81.19579 35.52801 0.6516947      2.582041  -4.821641      6.756544  1.587730       2.794118  92.78703 45.49461 90.31363 38.18717 2.473404       59.39713 
1 1 1 -26 6  27 o 61.00327 29.41604 -2.545027      2.524276  -3.311534      6.827013  -2.423639      2.716811  93.09783 45.66396 64.10436 30.81499 28.99347       55.08866 
1 1 1 -26 6  28 o 158.9716 39.56284 8.502546       2.946739  11.86683       6.939278  7.762422       3.254774  136.2609 58.94495 144.5599 43.95718 -8.298981      73.53055 
1 1 1 -26 6  29 o 94.67369 46.04639 1.967301       6.527843  1.967301       6.527843  0.000000       0.000000  94.67369 46.04639 ?        ?        0.000000       46.04639 
1 1 1 -26 6  30 o ?        ?        -10.59156      6.065351  -10.59156      6.065351  0.000000       0.000000  ?        ?        ?        ?        0.000000       ?        
1 1 1 -26 8  1  o 460.1572 19.46729 50.05799       4.213870  0.000000       0.000000  50.05799       4.213870  ?        ?        460.1572 19.46729 0.000000       19.46729 
1 1 1 -26 8  2  o 1396.357 19.38024 460.9965       12.72990  424.4947       21.66888  480.2333       15.73062  1332.393 34.57282 1423.457 23.49267 -91.06335      41.79935 
1 1 1 -26 8  3  o 470.0996 17.28714 52.20276       3.822807  49.79328       6.831602  53.30118       4.612580  455.6562 32.07716 474.5820 20.66157 -18.92581      38.15554 
1 1 1 -26 8  4  o 566.4907 17.22071 75.81902       4.588948  70.19213       6.296525  82.19382       6.701935  543.7933 24.61488 588.5377 24.20788 -44.74432      34.52410 
1 1 1 -26 8  5  f 482.0892 16.62680 54.90707       3.770555  55.32493       5.680150  54.57789       5.041531  481.9086 25.14397 479.7845 22.33813 2.124023       33.63349 
1 1 1 -26 8  6  o 454.2255 16.12533 48.74612       3.445477  49.48456       5.102544  48.12723       4.671251  455.8263 23.87984 450.4533 22.04520 5.372955       32.49981 
1 1 1 -26 8  7  o 102.6814 37.21746 2.134558       2.316036  -0.9450708     3.666320  4.179549       2.987631  94.78606 41.87375 132.2252 42.40617 -37.43914      59.59609 
1 1 1 -26 8  8  o 259.5853 20.80867 16.09137       2.519577  18.97775       3.788417  13.80202       3.373933  280.1527 29.17508 238.0336 30.85824 42.11908       42.46665 
1 1 1 -26 8  9  o 509.2849 15.12252 61.32587       3.622884  66.54521       4.970481  55.41023       5.291651  529.4867 19.95603 482.3594 23.32122 47.12732       30.69401 
1 1 1 -26 8  10 o 491.3827 18.20362 57.27474       4.207722  57.27474       4.207722  0.000000       0.000000  491.3827 18.20362 ?        ?        0.000000       18.20362 
1 1 1 -26 8  11 o 652.3456 13.59087 100.6254       4.170559  94.45577       4.862059  117.8062       8.113563  631.2745 16.37317 701.6225 24.58322 -70.34802      29.53668 
1 1 1 -26 8  12 o 239.8165 19.05192 13.77022       2.131542  13.20368       2.503202  15.26454       4.065407  233.8379 23.05692 247.3283 35.99930 -13.49042      42.75010 
1 1 1 -26 8  13 o 289.3654 18.66430 20.02683       2.527000  20.48311       2.589724  10.94828       11.55171  292.5911 18.91708 206.9353 81.24393 85.65582       83.41721 
1 1 1 -26 8  14 o 85.05047 32.51852 1.289767       1.814615  0.9979170      2.055879  2.318894       3.860579  85.01228 33.98501 117.5691 46.70876 -32.55686      57.76408 
1 1 1 -26 8  15 o 305.7385 16.52593 22.33612       2.367933  22.51398       2.741962  21.81432       4.696480  306.1444 19.13595 294.5653 34.55010 11.57913       39.49550 
1 1 1 -26 8  16 o 109.6212 36.77530 2.932135       2.236264  3.787158       2.747223  1.252924       3.849970  122.7375 40.75225 107.8659 45.17388 14.87162       60.83934 
1 1 1 -26 8  17 o 73.48591 31.00900 0.3092381      1.836413  2.229465       2.148937  -4.890051      3.536058  99.40167 35.87715 71.67049 34.62286 27.73118       49.85892 
1 1 1 -26 8  18 o 291.0985 21.91312 20.72254       2.978627  24.27765       4.758714  18.43245       3.819347  307.7916 33.40343 269.5949 30.66223 38.19669       45.34271 
1 1 1 -26 8  19 o 213.0409 21.30706 11.16597       2.106651  11.19640       2.614751  11.10967       3.556417  210.6112 27.01518 202.9748 38.65968 7.636429       47.16344 
1 1 1 -26 8  20 o 373.7444 15.62180 33.58382       2.746471  35.86761       3.617534  30.47622       4.219855  383.0241 20.14868 348.6801 25.91290 34.34399       32.82450 
1 1 1 -26 8  21 o 84.35995 32.87378 1.378366       1.880220  3.773731       2.504534  -1.715067      2.846173  117.8922 38.89948 73.61649 34.19152 44.27570       51.79025 
1 1 1 -26 8  22 o 171.4991 32.62008 7.906543       2.535412  7.664288       2.743361  9.325209       6.638749  166.5423 36.06244 162.3670 62.17041 4.175308       71.87252 
1 1 1 -26 8  23 o 94.19077 33.53174 2.239178       1.870696  2.801345       2.651452  1.681977       2.639716  104.9628 39.50102 93.74095 38.13843 11.22182       54.90784 
1 1 1 -26 8  24 o 194.1296 23.43813 9.652096       2.097031  12.08833       3.228152  7.873471       2.758271  208.8605 34.02879 165.9693 36.33712 42.89116       49.78298 
1 1 1 -26 8  25 o 221.7198 28.05031 13.15804       2.860133  3.956600       6.794306  15.13978       3.153124  121.6845 55.12168 237.1614 28.85850 -115.4769      62.21907 
1 1 1 -26 8  26 o 87.23917 36.46468 1.539660       2.501714  0.2669144      6.901342  1.732205       2.684285  105.1675 50.16318 90.20921 37.74460 14.95832       62.77738 
1 1 1 -26 8  27 o 127.6554 41.40911 5.607381       2.842659  -1.532402      6.354224  7.393842       3.178459  94.06010 45.67429 145.1394 43.28402 -51.07928      62.92572 
1 1 1 -26 8  28 o 62.21879 30.26437 -2.807198      2.821838  -3.668252      6.481608  -2.605826      3.134483  85.86363 42.55667 66.41933 32.21243 19.44430       53.37332 
1 1 1 -26 8  29 o 91.26501 44.42426 1.481570       6.109112  1.481570       6.109112  0.000000       0.000000  91.26501 44.42426 ?        ?        0.000000       44.42426 
1 1 1 -26 10 1  o 391.3199 17.14450 36.18671       3.155921  42.95482       7.594946  34.77421       3.469647  420.6338 38.82215 382.8845 19.32652 37.74930       43.36674 
1 1 1 -26 10 2  o 280.7699 20.35316 18.76420       2.669886  26.68847       6.939639  17.38749       2.892526  328.2397 46.22485 269.7580 23.01487 58.48172       51.63740 
1 1 1 -26 10 3  o 173.0367 36.09324 7.455077       2.842793  12.00244       4.653319  4.747325       3.590770  217.9693 46.78318 141.7856 46.56736 76.18373       66.00898 
1 1 1 -26 10 4  o 176.0882 32.53334 7.655861       2.595542  7.528261       4.723389  7.711059       3.106617  173.6389 52.98809 175.4456 38.68291 -1.806717      65.60568 
1 1 1 -26 10 5  o 111.1840 36.81437 2.855611       2.242513  1.774896       4.195860  3.287753       2.653250  119.6895 48.30180 119.5519 40.05774 0.1376190      62.75099 
1 1 1 -26 10 6  o 88.19466 35.92709 0.7799622      2.346200  -0.5055945     3.889732  1.515161       2.941550  100.3423 43.76377 103.2420 40.84915 -2.899666      59.86585 
1 1 1 -26 10 7  o 346.7975 18.51997 28.58291       3.010313  27.95384       4.763491  29.00119       3.884250  340.0827 30.08681 348.1559 23.86119 -8.073181      38.40017 
1 1 1 -26 10 8  o 314.6343 17.95191 23.54073       2.645952  23.95970       3.587611  23.04103       3.918071  316.0078 24.32134 309.0832 27.22606 6.924652       36.50734 
1 1 1 -26 10 9  o 223.3969 21.44935 11.98784       2.226325  8.440197       2.791138  18.19263       3.691265  184.0638 33.46910 273.5795 29.13097 -89.51572      44.37109 
1 1 1 -26 10 10 o 440.1024 14.94124 45.85857       3.093212  42.15995       3.638492  55.49941       5.874339  421.2736 18.36064 480.2551 26.10067 -58.98145      31.91172 
1 1 1 -26 10 11 o 225.9914 20.71504 12.28000       2.177643  14.15860       2.574978  7.562426       4.080519  242.2473 22.86722 170.2478 48.56861 71.99953       53.68259 
1 1 1 -26 10 12 o 112.1953 32.50858 3.147955       1.814964  3.019172       2.029932  3.661216       4.052480  110.9949 34.88334 131.0814 48.93137 -20.08649      60.09264 
1 1 1 -26 10 13 o 173.5105 24.59203 7.390908       1.951013  7.420390       2.183590  7.274206       4.344406  172.9028 27.78848 165.6158 50.86666 7.287018       57.96220 
1 1 1 -26 10 14 o 292.8789 16.67339 20.50214       2.287606  19.65256       2.568129  23.76609       5.033686  285.9823 19.20149 307.2491 35.48017 -21.26678      40.34278 
1 1 1 -26 10 15 o 172.4595 25.48076 7.374843       2.004886  6.883508       2.247513  9.289020       4.436136  164.9072 30.08140 183.5082 50.02002 -18.60097      58.36860 
1 1 1 -26 10 16 o 116.3092 39.06200 3.377039       2.523041  4.126041       3.060930  1.789606       4.456151  127.2444 43.02339 116.4908 48.67706 10.75366       64.96513 
1 1 1 -26 10 17 o 165.0726 65.93232 7.425684       7.730349  0.000000       0.000000  7.425684       7.730349  ?        ?        165.0726 65.93232 0.000000       65.93232 
1 1 1 -26 10 18 o 117.0171 33.33401 3.598839       1.923565  2.097847       2.153294  9.528778       4.279956  96.97081 35.77240 181.8107 48.95468 -84.83987      60.63189 
1 1 1 -26 10 19 f 82.41431 32.60839 1.162512       1.874428  2.567611       2.204886  -2.499675      3.559615  102.6704 36.41950 80.37656 37.62888 22.29388       52.36709 
1 1 1 -26 10 20 o 218.9150 21.51183 11.85424       2.186636  13.65403       2.728059  8.620202       3.656907  232.9736 25.29966 172.8932 44.65195 60.08037       51.32124 
1 1 1 -26 10 21 o 376.8634 17.07971 34.40567       3.027847  34.34725       3.618096  34.54221       5.531184  373.5356 20.67149 362.7446 32.76894 10.79102       38.74422 
1 1 1 -26 10 22 o 228.2787 25.91475 13.32386       2.733486  14.43565       3.002346  7.936980       6.608701  236.5508 27.49444 152.5604 60.95211 83.99036       66.86632 
1 1 1 -26 10 23 o 437.2182 15.40925 46.34249       3.169195  51.48771       4.517733  41.35726       4.446943  454.9432 21.11028 404.6252 23.46432 50.31793       31.56293 
1 1 1 -26 10 24 o 331.8516 24.95336 28.40116       3.866796  28.40116       3.866796  0.000000       0.000000  331.8516 24.95336 ?        ?        0.000000       24.95336 
1 1 1 -26 10 25 o 156.9628 36.25393 7.280806       2.622854  2.185494       6.274096  8.359844       2.887249  111.8802 51.53820 167.2530 37.61058 -55.37286      63.80236 
1 1 1 -26 10 26 o 151.7406 43.08012 7.754314       3.218401  0.000000       0.000000  7.754314       3.218401  ?        ?        151.7406 43.08012 0.000000       43.08012 
1 1 1 -26 10 27 o 84.06296 36.45615 1.343104       2.667763  7.791320       6.856427  0.1927531      2.895965  122.2906 55.38675 78.20213 35.64268 44.08852       65.86420 
1 1 1 -26 10 28 o 162.7870 45.10902 10.22869       3.573575  4.503568       6.511568  12.69620       4.274863  103.9808 49.34754 173.5394 49.77828 -69.55858      70.09320 
1 1 1 -26 10 29 o 129.0237 46.58002 7.911653       3.622641  -4.013080      6.134030  14.29846       4.489142  78.40043 39.25388 172.9297 51.41005 -94.52926      64.68277 
1 1 1 -26 12 1  o 655.8185 14.28076 101.5622       4.405592  91.46850       9.623738  104.2383       4.955317  616.1273 33.32899 664.0949 15.86251 -47.96765      36.91125 
1 1 1 -26 12 2  o 886.9282 14.03535 185.7510       5.855729  164.5363       12.18909  192.1162       6.676654  828.2932 31.28367 901.5379 15.74366 -73.24475      35.02187 
1 1 1 -26 12 3  o 588.4633 15.75573 81.86926       4.361413  82.86953       6.348192  80.97504       6.002273  590.3697 22.85897 583.8530 21.85460 6.516663       31.62525 
1 1 1 -26 12 4  o 405.8381 18.01233 39.01386       3.438682  33.80334       5.206948  43.04400       4.579342  374.3627 29.81512 424.7405 23.00554 -50.37784      37.65895 
1 1 1 -26 12 5  f 299.7071 21.20609 21.45033       2.970394  14.68944       4.642778  26.13556       3.864926  241.8110 42.36000 330.0355 25.08265 -88.22449      49.22915 
1 1 1 -26 12 6  o 471.9803 16.10548 52.73120       3.575747  49.69957       5.133384  55.58859       4.983678  455.8276 24.02538 483.2860 21.92181 -27.45840      32.52361 
1 1 1 -26 12 7  o 235.9137 25.10229 13.45155       2.742917  13.38747       4.599625  13.48692       3.416960  229.2990 44.24627 234.3633 31.81674 -5.064255      54.49805 
1 1 1 -26 12 8  o 329.9049 17.98193 25.91172       2.780049  24.66044       3.737549  27.46136       4.159355  320.0018 25.02868 337.3480 26.42187 -17.34616      36.39437 
1 1 1 -26 12 9  o 244.6653 19.68517 14.33951       2.246414  15.31573       2.658081  11.89953       4.202308  252.1872 22.64805 215.4641 42.96841 36.72311       48.57179 
1 1 1 -26 12 10 o 233.5312 21.10933 13.12554       2.293867  13.58346       2.873870  12.32164       3.807765  236.1533 26.31811 220.7447 38.04348 15.40855       46.25959 
1 1 1 -26 12 11 o 305.7864 16.64679 22.28898       2.385498  26.24183       2.935043  14.59572       4.094625  331.2496 18.91449 240.3800 37.42976 90.86964       41.93740 
1 1 1 -26 12 12 o 264.2775 18.89574 16.75673       2.333562  16.77812       2.376226  16.17717       12.37012  264.3509 19.24103 229.3828 85.51661 34.96803       87.65448 
1 1 1 -26 12 13 o 258.5611 17.22642 16.01269       2.083216  18.61336       2.373238  7.280262       4.348762  278.5665 18.21126 164.5231 50.95219 114.0434       54.10892 
1 1 1 -26 12 14 o 328.4388 14.98282 25.67376       2.314820  26.25802       2.619285  23.58980       4.946826  331.2261 16.86663 305.2831 35.08497 25.94299       38.92863 
1 1 1 -26 12 15 o 217.4298 20.54605 11.49086       2.076533  10.86731       2.292417  14.34160       4.901553  210.3279 23.57575 229.3195 47.01706 -18.99162      52.59677 
1 1 1 -26 12 16 o 100.8989 33.62415 2.498948       1.869598  3.152667       2.053748  -0.6637454     4.517313  111.1462 35.10802 102.0359 45.68867 9.110352       57.61968 
1 1 1 -26 12 17 o 328.4146 39.15967 28.46696       5.930364  0.000000       0.000000  28.46696       5.930364  ?        ?        328.4146 39.15967 0.000000       39.15967 
1 1 1 -26 12 18 o 334.0667 16.89697 26.91373       2.646656  30.82822       3.053601  15.09313       5.306335  356.8674 18.25120 227.7969 50.81200 129.0704       53.99042 
1 1 1 -26 12 19 o 100.5087 35.05297 2.489239       2.036326  2.514549       2.310421  2.401149       4.310279  102.5138 37.16994 115.7767 48.08300 -13.26292      60.77482 
1 1 1 -26 12 20 o 260.7615 22.23807 16.85586       2.701713  17.12583       3.011678  15.74316       6.114270  261.2546 24.80358 221.1417 58.04293 40.11292       63.12051 
1 1 1 -26 12 21 o 266.9606 19.74938 17.54427       2.462504  19.65988       3.185535  14.40279       3.881790  279.4254 24.48215 229.3178 37.26469 50.10759       44.58736 
1 1 1 -26 12 22 o 131.7265 39.40334 5.005705       2.631117  4.248088       2.843819  9.509513       6.933732  121.9235 41.46831 159.8656 62.88623 -37.94205      75.32794 
1 1 1 -26 12 23 o 344.5680 22.83736 30.02539       3.680623  32.52081       6.775583  28.98078       4.383828  328.2489 45.07032 332.3927 28.30670 -4.143738      53.22220 
1 1 1 -26 12 24 o 283.0230 31.44156 21.91947       4.115212  12.49108       6.909853  27.10167       5.122800  166.7157 63.52443 308.5094 35.97521 -141.7936      73.00389 
1 1 1 -26 12 25 o 225.0793 31.15366 14.15817       3.210042  7.190845       6.798132  16.15743       3.641591  130.8909 57.45058 237.8085 33.48016 -106.9176      66.49429 
1 1 1 -26 12 26 o 82.97806 36.96171 0.7534078      2.915399  4.994055       6.988851  -0.1399878     3.207832  115.7325 53.69219 80.23367 36.91991 35.49879       65.16081 
1 1 1 -26 12 27 o 108.2293 43.29935 4.323333       3.340015  0.1839477      6.693757  5.695601       3.854086  95.82287 46.61055 117.6230 46.68864 -21.80018      65.97251 
1 1 1 -26 12 28 f 148.9162 47.79542 9.706137       3.794711  17.14626       6.891347  6.468490       4.545995  150.7185 61.50500 113.1822 48.31339 37.53626       78.21156 
1 1 1 -26 14 1  o 764.8533 13.81975 138.2187       4.972188  123.9001       11.36437  141.6086       5.529528  716.1581 33.73396 773.8110 15.19091 -57.65289      36.99653 
1 1 1 -26 14 2  o 264.0800 20.98889 16.68017       2.585811  25.99881       6.798504  15.10407       2.795947  321.3935 46.30472 250.5502 24.01703 70.84331       52.16268 
1 1 1 -26 14 3  o 122.5590 36.92646 3.698651       2.304603  0.7189537E-02  4.121805  5.377527       2.779699  105.9579 45.63300 145.8741 39.52563 -39.91620      60.37090 
1 1 1 -26 14 4  o 413.3419 17.52702 40.51175       3.407898  33.37386       5.229974  45.77884       4.492619  371.0821 30.22386 438.4274 21.78374 -67.34531      37.25605 
1 1 1 -26 14 5  o 218.1694 24.26734 11.51172       2.448291  4.233377       4.246080  15.13674       2.996588  138.8784 50.38428 250.1086 25.84261 -111.2302      56.62523 
1 1 1 -26 14 6  o 501.3735 22.58333 60.01784       5.326216  0.000000       0.000000  60.01784       5.326216  ?        ?        501.3735 22.58333 0.000000       22.58333 
1 1 1 -26 14 7  o 372.9716 19.34515 33.19214       3.382386  23.73297       5.020797  41.05232       4.576805  309.9345 35.05384 413.4962 23.62802 -103.5617      42.27358 
1 1 1 -26 14 8  o 457.6035 15.68806 49.66525       3.376975  49.42574       4.423060  50.00000       5.229004  455.1082 20.66041 455.8118 24.47689 -0.7036133     32.03078 
1 1 1 -26 14 9  o 225.4973 21.07151 12.25651       2.209242  13.55304       2.790791  10.08026       3.615691  235.9348 25.55424 198.0905 40.17662 37.84430       47.61491 
1 1 1 -26 14 10 o 482.5379 15.25329 55.28011       3.462296  63.73431       4.451248  42.33056       5.509001  517.0660 18.30065 416.6876 28.27291 100.3784       33.67894 
1 1 1 -26 14 11 o 160.4865 31.55405 6.518848       2.297208  6.518848       2.297208  0.000000       0.000000  160.4865 31.55405 ?        ?        0.000000       31.55405 
1 1 1 -26 14 12 o 314.4737 14.95850 23.51396       2.212797  24.13882       2.430931  20.49346       5.344653  317.9007 16.31085 281.2600 41.65594 36.64069       44.73546 
1 1 1 -26 14 13 o 447.0748 13.62647 47.48043       2.865714  48.04887       3.295320  45.71670       5.804548  449.0540 15.60019 430.5246 28.82820 18.52939       32.77851 
1 1 1 -26 14 14 o 176.1754 23.31657 7.651224       1.884842  7.969900       2.045177  5.854529       4.856169  179.3001 24.92223 149.7024 53.94778 29.59776       59.42626 
1 1 1 -26 14 15 o 323.4397 16.28804 25.08744       2.470227  23.96978       2.725311  30.23346       5.847855  315.2743 18.45679 342.3073 36.90046 -27.03299      41.25890 
1 1 1 -26 14 16 o 111.4088 39.34808 3.022610       2.571063  3.766350       2.911664  0.3898941      5.478135  121.5762 41.94260 115.6589 51.13535 5.917313       66.13626 
1 1 1 -26 14 17 o 202.9510 28.20092 10.42996       2.619541  9.595720       2.985074  13.22424       5.463166  191.3207 34.43462 210.4760 54.68338 -19.15526      64.62210 
1 1 1 -26 14 18 o 397.9907 16.42752 38.08951       3.075489  42.38836       3.587439  26.16919       5.973821  418.8012 18.20989 310.0175 42.04848 108.7837       45.82221 
1 1 1 -26 14 19 o 151.5959 53.40948 6.875861       4.734166  0.000000       0.000000  6.875861       4.734166  ?        ?        151.5959 53.40948 0.000000       53.40948 
1 1 1 -26 14 20 o 146.8891 35.84592 5.928797       2.455014  5.893734       2.615160  6.189061       7.124963  145.3904 37.86340 146.7249 61.45147 -1.334549      72.17977 
1 1 1 -26 14 21 o 301.9879 19.60275 22.47058       2.769622  28.96642       3.463192  10.94397       4.613279  341.3197 21.68228 185.7530 51.16565 155.5667       55.57018 
1 1 1 -26 14 22 o 151.1207 33.60426 6.330602       2.327038  4.785387       2.857261  9.374621       4.010321  127.3180 41.52629 172.0005 47.83031 -44.68250      63.34170 
1 1 1 -26 14 23 o 214.1935 66.61357 19.41142       7.424221  0.000000       0.000000  19.41142       7.424221  ?        ?        214.1935 66.61357 0.000000       66.61357 
1 1 1 -26 14 24 o 131.6040 44.34135 5.721065       3.251225  10.19620       6.202551  4.025645       3.817738  152.2045 59.59807 114.7058 46.15005 37.49863       75.37743 
1 1 1 -26 14 25 o 144.2457 59.81518 10.57967       6.655751  10.57967       6.655751  0.000000       0.000000  144.2457 59.81518 ?        ?        0.000000       59.81518 
1 1 1 -26 14 26 o 77.57784 36.43184 -0.7590079     3.381311  -5.214031      5.809888  1.522889       4.158061  81.65058 40.43676 93.38208 42.61853 -11.73150      58.74921 
1 1 1 -26 14 27 o 112.1950 47.76639 5.707491       4.422531  0.000000       0.000000  5.707491       4.422531  ?        ?        112.1950 47.76639 0.000000       47.76639 
1 1 1 -26 16 1  o 369.1346 16.33260 32.29492       2.836021  0.000000       0.000000  32.29492       2.836021  ?        ?        369.1346 16.33260 0.000000       16.33260 
1 1 1 -26 16 2  o 314.7502 20.81848 23.69827       3.064959  0.000000       0.000000  23.69827       3.064959  ?        ?        314.7502 20.81848 0.000000       20.81848 
1 1 1 -26 16 3  o 71.79958 31.57535 -0.4571322     2.062279  -3.983289      4.547673  0.4557251      2.313875  90.85587 42.53390 84.08187 35.10049 6.774002       55.14687 
1 1 1 -26 16 4  o 184.4792 31.69281 8.470645       2.651181  7.103312       4.403784  9.247920       3.320292  165.9397 51.25415 190.8364 38.31784 -24.89664      63.99410 
1 1 1 -26 16 5  o 194.3807 29.06968 9.320236       2.576425  8.198373       4.285105  9.955411       3.224319  176.7137 49.54879 198.8377 35.78834 -22.12407      61.12191 
1 1 1 -26 16 6  f 213.4418 28.08743 11.18570       2.751589  11.37270       4.966071  11.10285       3.305351  206.6696 51.31724 210.4486 34.59108 -3.779037      61.88701 
1 1 1 -26 16 7  o 168.8813 32.55336 7.185623       2.492346  5.072252       3.810080  8.766351       3.295146  143.0205 48.00216 184.7157 39.13955 -41.69511      61.93635 
1 1 1 -26 16 8  f 88.39616 35.26727 1.103994       2.209457  1.618931       3.111497  0.5802616      3.137960  104.4076 41.78427 96.17975 40.55717 8.227882       58.23066 
1 1 1 -26 16 9  o 404.9619 15.47125 38.97196       2.947194  36.75877       3.454837  44.88704       5.648046  392.3614 18.71854 428.7188 28.16301 -36.35736      33.81625 
1 1 1 -26 16 10 o 303.0918 19.14275 22.05939       2.715255  23.37566       3.274912  19.16469       4.856573  310.8210 22.55206 273.8627 38.78293 36.95831       44.86325 
1 1 1 -26 16 11 o 329.0447 19.20897 26.02279       2.960308  26.02279       2.960308  0.000000       0.000000  329.0447 19.20897 ?        ?        0.000000       19.20897 
1 1 1 -26 16 12 o 435.2539 13.43013 44.99606       2.749743  43.62364       2.971355  53.18074       7.256219  428.1336 14.75387 460.4288 33.73751 -32.29517      36.82249 
1 1 1 -26 16 13 o 138.8998 27.17842 4.879072       1.712212  5.744782       1.838211  -0.7942926     4.705755  151.1288 26.84025 104.1863 46.64312 46.94250       53.81431 
1 1 1 -26 16 14 o 113.2428 31.24022 3.305310       1.718288  3.390244       1.820721  2.613555       5.196115  114.5888 32.35722 127.0546 52.78221 -12.46580      61.91083 
1 1 1 -26 16 15 o 143.2387 29.29007 5.265041       1.906981  4.759522       2.059089  8.312344       5.055503  134.9277 32.76824 169.3169 55.23763 -34.38918      64.22580 
1 1 1 -26 16 16 o 383.2020 15.26359 35.12740       2.751400  37.41677       3.108862  26.85415       5.909923  394.8211 16.73909 317.7634 40.45489 77.05774       43.78122 
1 1 1 -26 16 17 o 227.4905 22.04581 12.74727       2.329562  12.35275       2.510203  15.19620       6.254069  222.8292 24.34395 220.9228 59.04752 1.906433       63.86890 
1 1 1 -26 16 18 o 225.8049 27.34063 12.92555       2.844915  13.40369       3.274043  11.45179       5.748066  227.4632 31.43923 189.1277 58.57997 38.33546       66.48337 
1 1 1 -26 16 19 o 173.9954 30.80571 7.948052       2.429103  9.296418       2.517079  -10.33591      9.268895  189.4197 29.18631 107.5380 52.83965 81.88174       60.36447 
1 1 1 -26 16 20 o 75.43549 32.92677 0.7841172E-01  2.205735  0.6951012      2.429055  -2.820360      5.266367  83.60123 35.49118 95.34937 44.98959 -11.74815      57.30347 
1 1 1 -26 16 21 o 89.63423 36.36417 1.490880       2.391732  0.6903566      2.749194  3.982764       4.850454  86.46033 37.25195 123.5152 51.12790 -37.05486      63.25954 
1 1 1 -26 16 22 o 265.7595 24.26000 18.11326       2.999400  22.13396       3.745854  10.92921       5.007082  290.3382 27.76550 175.1051 54.74607 115.2331       61.38449 
1 1 1 -26 16 23 o 96.43294 43.93391 0.4900416      4.394319  -6.304995      5.995566  8.376933       6.459326  86.21744 42.39075 142.1357 58.93190 -55.91826      72.59438 
1 1 1 -26 16 24 o 190.4846 42.85345 11.72441       3.746919  21.12664       6.832315  7.680389       4.480842  220.0537 62.87065 140.1097 51.61647 79.94403       81.34481 
1 1 1 -26 16 25 o 63.52098 31.19496 -4.186126      3.217083  -6.108799      6.374589  -3.529087      3.726449  84.13438 41.78573 70.99139 34.58647 13.14299       54.24271 
1 1 1 -26 18 1  o 142.3358 32.24889 5.118477       2.109229  0.000000       0.000000  5.118477       2.109229  ?        ?        142.3358 32.24889 0.000000       32.24889 
1 1 1 -26 18 2  o 228.5595 24.49940 12.67953       2.592991  8.950655       8.180913  13.09597       2.733954  188.4717 69.68668 232.0388 25.46596 -43.56717      74.19399 
1 1 1 -26 18 3  o 442.7606 17.28540 46.60818       3.600127  46.07610       10.41573  46.68037       3.836591  418.5320 54.17574 442.7814 18.41988 -24.24942      57.22152 
1 1 1 -26 18 4  f 478.2662 19.49081 54.56931       4.384994  51.40115       8.372169  55.76695       5.147511  452.8070 39.70667 482.2794 22.68972 -29.47241      45.73230 
1 1 1 -26 18 5  o 187.0792 32.06386 8.774160       2.720162  12.14075       4.501018  6.837099       3.414185  215.0448 45.89315 161.6812 43.80345 53.36363       63.44228 
1 1 1 -26 18 6  o 127.2092 40.17093 4.058239       2.688939  2.457414       4.689342  4.842450       3.282136  125.9129 50.97552 138.3223 44.45615 -12.40945      67.63766 
1 1 1 -26 18 7  o 167.5593 33.73835 7.145725       2.567267  10.17103       3.726011  4.411416       3.542281  197.6090 41.40889 134.3400 46.26696 63.26895       62.09129 
1 1 1 -26 18 8  o 412.5574 17.00325 40.56161       3.299785  41.16619       4.183377  39.56600       5.368391  413.4488 21.58465 401.8028 28.58937 11.64597       35.82247 
1 1 1 -26 18 9  o 150.1325 32.78673 5.769978       2.250618  6.347160       2.734170  4.557076       3.963529  156.1008 37.66716 136.9349 48.80211 19.16585       61.64788 
1 1 1 -26 18 10 o 273.3374 23.82592 18.20761       3.032867  18.20761       3.032867  0.000000       0.000000  273.3374 23.82592 ?        ?        0.000000       23.82592 
1 1 1 -26 18 11 o 169.7782 28.86308 7.254224       2.222611  6.687413       2.510340  9.310346       4.781214  160.9214 34.21607 182.4999 52.72998 -21.57851      62.85849 
1 1 1 -26 18 12 o 178.4745 24.03903 7.864408       1.966856  6.981177       2.133570  12.86266       5.075503  166.5039 28.25013 214.7508 51.00148 -48.24690      58.30284 
1 1 1 -26 18 13 o 154.1108 24.96216 5.929395       1.747717  5.489457       1.848179  9.649228       5.374158  147.2235 27.70356 182.3622 56.66872 -35.13873      63.07798 
1 1 1 -26 18 14 o 252.4308 16.60327 15.32271       1.960537  15.49966       2.076083  13.86445       5.959842  253.5809 17.51170 216.0869 57.58900 37.49393       60.19263 
1 1 1 -26 18 15 o 241.5993 22.66561 14.34464       2.545808  17.38327       2.893082  3.917955       5.359139  265.7903 23.37718 134.7184 54.51060 131.0719       59.31187 
1 1 1 -26 18 16 o 309.3200 17.12615 23.08719       2.482225  24.67567       2.794283  17.14313       5.405311  319.0484 18.70018 245.7478 48.48069 73.30054       51.96224 
1 1 1 -26 18 17 o 355.8781 16.66779 30.50504       2.790284  33.84179       3.165231  18.87096       5.910302  374.1146 17.98587 253.4120 51.34000 120.7026       54.39933 
1 1 1 -26 18 18 o 268.9816 23.81293 18.06155       2.981898  16.72117       3.450056  22.01958       5.928588  255.0515 29.28725 275.9491 47.37896 -20.89761      55.70017 
1 1 1 -26 18 19 o 363.7486 18.07724 32.21931       3.093163  38.77279       3.658328  15.78686       5.792923  397.8852 19.54589 220.9600 55.73846 176.9252       59.06622 
1 1 1 -26 18 20 o 108.1953 37.26376 3.172580       2.297819  5.331274       2.637192  -3.632875      4.682468  135.7900 39.14053 86.02171 41.11079 49.76827       56.76335 
1 1 1 -26 18 21 o 129.4070 38.49184 4.921807       2.516044  6.807115       2.980557  0.2474006      4.693205  150.3945 41.00333 99.95435 45.48605 50.44012       61.23932 
1 1 1 -26 18 22 o 96.91167 41.90268 1.589405       3.503348  5.653984       5.435287  -1.299396      4.582194  128.6563 53.75996 90.48605 42.46714 38.17022       68.50980 
1 1 1 -26 18 23 o 251.5211 34.91341 18.33869       4.019415  21.19501       6.604194  16.65820       5.065647  227.7537 60.58618 217.8978 50.42085 9.855835       78.82225 
1 1 1 -26 18 24 o 137.3755 50.26768 7.632544       4.239483  7.351368       5.729932  7.972652       6.301863  127.5994 54.34860 129.0652 56.00202 -1.465767      78.03843 
1 1 1 -26 20 1  o 219.5944 20.72568 11.62454       2.115594  11.77170       6.318873  11.60596       2.245169  206.3228 60.91000 219.0584 22.08969 -12.73563      64.79184 
1 1 1 -26 20 2  o 71.10937 31.56967 -0.6137260     2.109176  -5.534523      4.873838  0.5201770      2.339598  88.52253 42.20490 84.62348 35.30814 3.899048       55.02652 
1 1 1 -26 20 3  o 191.6573 29.91338 9.137027       2.608783  8.145066       8.616773  9.237126       2.737248  182.7738 70.61004 192.2314 31.35134 -9.457642      77.25726 
1 1 1 -26 20 4  o 185.3957 35.64380 8.753398       2.995607  7.638397       6.681739  9.033889       3.351280  173.1962 63.14761 187.0358 39.33770 -13.83961      74.39809 
1 1 1 -26 20 5  o 268.4979 32.09066 17.91617       3.972804  0.000000       0.000000  17.91617       3.972804  ?        ?        268.4979 32.09066 0.000000       32.09066 
1 1 1 -26 20 6  o 139.7059 44.24372 5.005994       3.260025  10.16910       6.115452  2.956302       3.853161  190.9683 60.61034 122.4687 47.24407 68.49957       76.84800 
1 1 1 -26 20 7  f 199.4897 37.08232 10.21569       3.351732  13.70390       5.161606  7.672414       4.407374  225.1250 50.03811 168.6545 51.12218 56.47055       71.53523 
1 1 1 -26 20 8  o 225.3566 27.99509 12.56374       2.903771  16.93265       4.032135  7.856719       4.185249  259.3947 33.85204 170.3107 49.37084 89.08405       59.86185 
1 1 1 -26 20 9  o 179.7022 31.17865 8.165524       2.540038  9.163787       3.038079  5.847206       4.629810  188.8311 35.50571 150.6656 52.83718 38.16548       63.65865 
1 1 1 -26 20 10 o 321.0707 22.25195 25.00277       3.340034  25.00277       3.340034  0.000000       0.000000  321.0707 22.25195 ?        ?        0.000000       22.25195 
1 1 1 -26 20 11 o 561.2729 14.92011 75.04279       3.939267  76.95010       4.537219  69.20334       7.938969  567.2918 17.00254 526.1345 32.23271 41.15735       36.44220 
1 1 1 -26 20 12 o 313.5278 16.63176 23.57679       2.444149  24.05035       2.655666  20.95422       6.249587  316.1766 17.92939 275.3824 50.08949 40.79419       53.20169 
1 1 1 -26 20 13 o 144.3401 26.65354 5.271800       1.743052  6.023578       1.847833  -0.7987515     5.250878  154.6347 26.34765 108.5600 48.88186 46.07468       55.53049 
1 1 1 -26 20 14 o 278.2013 20.10954 18.82388       2.613939  21.44115       2.928777  8.576100       5.795316  296.4977 21.13727 169.6169 59.13551 126.8808       62.79962 
1 1 1 -26 20 15 o 106.9830 31.92031 2.970658       1.728295  2.991217       1.807853  2.752378       5.890799  107.4069 32.78298 129.2161 55.07336 -21.80923      64.09212 
1 1 1 -26 20 16 o 150.6187 27.43563 5.828558       1.872234  5.955010       1.965034  4.583829       6.165164  151.7724 28.57220 138.9891 57.59647 12.78322       64.29404 
1 1 1 -26 20 17 o 193.6689 23.31346 9.396397       2.081244  9.400996       2.211913  9.360881       6.146338  192.8759 24.96508 167.9011 60.66412 24.97487       65.60023 
1 1 1 -26 20 18 o 129.7150 41.74973 4.807620       2.893889  4.560048       3.175728  6.019620       7.026582  126.7443 43.79882 143.7174 60.65104 -16.97308      74.81233 
1 1 1 -26 20 19 o 70.79881 32.35342 -0.9111964     2.405994  -1.545755      2.827339  0.7546896      4.581045  73.22955 34.03386 103.5066 46.20246 -30.27707      57.38441 
1 1 1 -26 20 20 o 204.6637 28.83592 11.12493       2.699199  13.01845       3.279397  7.147831       4.752712  217.9571 33.01970 144.1370 53.15039 73.82008       62.57207 
1 1 1 -26 20 21 o 175.0516 45.91970 9.944830       3.828282  16.16825       6.061408  5.814912       4.937755  204.0267 59.49306 130.0563 52.42892 73.97040       79.29827 
1 1 1 -26 20 22 o 99.99947 43.14495 2.189846       3.698112  -4.946493      5.737456  7.261820       4.836934  86.03921 42.13106 136.4334 52.84833 -50.39423      67.58678 
1 1 1 -26 22 1  o 75.56837 32.15423 0.1417268      2.001919  1.747622       5.776517  -0.7747655E-01 2.134180  130.6039 55.04769 75.90031 32.76158 54.70356       64.05910 
1 1 1 -26 22 2  o 146.5913 35.61977 5.518409       2.432067  7.727467       4.798871  4.754923       2.821215  170.2618 53.65413 136.2482 40.81239 34.01367       67.41229 
1 1 1 -26 22 3  o 317.4879 20.14704 24.20975       2.993313  8.136050       4.991194  33.23796       3.740655  173.8786 54.70758 371.6962 21.48554 -197.8176      58.77540 
1 1 1 -26 22 4  o 204.6496 33.81160 10.57481       3.141289  7.976224       6.346670  11.41796       3.615161  173.9309 61.77951 211.1530 37.78384 -37.22212      72.41772 
1 1 1 -26 22 5  o 100.5161 41.98862 0.9228942      3.314217  16.85791       9.369898  -1.355826      3.543269  234.4540 75.08898 88.55499 39.98807 145.8990       85.07291 
1 1 1 -26 22 6  f 231.9318 33.01616 13.52867       3.500418  6.417627       5.247409  19.23009       4.698610  158.0350 56.17065 274.9729 37.28712 -116.9379      67.42012 
1 1 1 -26 22 7  o 279.7432 27.36965 19.25441       3.555482  10.91945       4.824255  29.16469       5.260436  199.1495 51.21004 341.5309 33.16131 -142.3813      61.00935 
1 1 1 -26 22 8  o 104.2229 40.69689 1.974079       2.886081  -2.370734      3.566274  10.21998       4.913016  83.11637 38.48758 191.3253 52.84329 -108.2089      65.37360 
1 1 1 -26 22 9  o 364.6514 21.35718 32.17243       3.647474  32.17243       3.647474  0.000000       0.000000  364.6514 21.35718 ?        ?        0.000000       21.35718 
1 1 1 -26 22 10 o 187.7972 26.70588 8.794831       2.292740  8.897180       2.533761  8.332343       5.386131  187.7018 29.68359 171.2955 57.07043 16.40639       64.32845 
1 1 1 -26 22 11 o 391.4060 16.78853 36.68158       3.091074  43.28529       3.522904  14.58978       6.443506  424.7947 17.63000 220.2872 60.38340 204.5075       62.90446 
1 1 1 -26 22 12 o 134.7103 31.28971 4.718086       1.944841  4.761186       2.071088  4.396552       5.656898  134.8177 32.93855 139.8786 56.21252 -5.060852      65.15209 
1 1 1 -26 22 13 o 134.1316 30.17207 4.675674       1.857621  4.980373       1.969314  2.215815       5.595445  138.1963 31.05076 125.2748 53.54113 12.92146       61.89348 
1 1 1 -26 22 14 f 155.1323 34.07072 6.393191       2.418267  7.991478       2.635708  -2.112069      6.080141  174.2893 33.36346 108.2315 50.16549 66.05781       60.24697 
1 1 1 -26 22 15 o 126.1548 32.47740 4.246295       1.938794  4.246295       1.938794  0.000000       0.000000  126.1548 32.47740 ?        ?        0.000000       32.47740 
1 1 1 -26 22 16 o 282.7888 18.72599 19.54561       2.476917  22.14916       2.711026  6.394174       6.093094  300.7798 19.26210 146.5937 58.54106 154.1862       61.62859 
1 1 1 -26 22 17 o 219.5135 25.03560 12.24777       2.538922  12.24777       2.538922  0.000000       0.000000  219.5135 25.03560 ?        ?        0.000000       25.03560 
1 1 1 -26 22 18 o 158.9047 34.85385 7.029276       2.533613  8.089161       2.791969  2.084424       6.030567  169.8991 36.05046 118.0453 52.82816 51.85382       63.95662 
1 1 1 -26 22 19 o 235.1355 30.47755 14.85388       3.291761  20.87404       3.926291  0.6111772      6.039135  279.2059 30.38486 109.4359 50.46670 169.7700       58.90779 
1 1 1 -26 24 1  o 396.2772 15.93552 37.36089       2.970534  30.97503       7.216487  38.66366       3.259486  344.8590 45.60381 402.7469 17.20472 -57.88788      48.74126 
1 1 1 -26 24 2  o 262.8328 21.25560 16.69008       2.605485  12.28131       4.102723  19.66996       3.372967  216.9767 41.71180 283.8755 25.53206 -66.89874      48.90562 
1 1 1 -26 24 3  o 118.6490 38.28402 3.507953       2.432220  0.8284037E-01  3.991482  5.530861       3.067501  102.4453 44.51050 145.2562 42.31300 -42.81094      61.41314 
1 1 1 -26 24 4  o 172.2346 38.67273 7.748081       3.056526  3.638224       4.291352  11.97979       4.354502  130.5086 49.98169 212.0466 45.04573 -81.53802      67.28512 
1 1 1 -26 24 5  f 180.1695 39.70121 8.524216       3.274011  6.107388       4.835059  10.57075       4.449265  153.3890 53.98267 196.9140 48.38068 -43.52504      72.49013 
1 1 1 -26 24 6  o 212.8444 35.35171 11.61077       3.415323  11.66916       4.758731  11.54875       4.904561  205.8588 49.70496 203.9551 51.19802 1.903717       71.35699 
1 1 1 -26 24 7  o 153.3093 42.84521 6.304122       3.209564  6.314608       4.245095  6.290131       4.903859  153.1178 50.64937 154.0048 54.34748 -0.8870239     74.29002 
1 1 1 -26 24 8  o 336.0815 23.11333 27.53525       3.631851  23.84004       4.244631  37.63377       7.016969  309.1741 29.54522 380.8454 39.75396 -71.67126      49.53077 
1 1 1 -26 24 9  o 262.8152 28.04295 17.22392       3.413382  17.22392       3.413382  0.000000       0.000000  262.8152 28.04295 ?        ?        0.000000       28.04295 
1 1 1 -26 24 10 f 195.3371 28.38322 9.630140       2.531727  8.435058       2.823793  14.52735       5.716211  179.6913 34.66300 222.8320 54.89237 -43.14072      64.92068 
1 1 1 -26 24 11 o 207.4720 25.68209 10.75219       2.452900  10.60678       2.744828  11.32878       5.465761  204.2474 29.41713 193.7050 56.49750 10.54243       63.69721 
1 1 1 -26 24 12 o 113.3243 35.26620 3.363400       2.080483  3.386525       2.251507  3.228300       5.442082  113.9635 36.84082 129.1980 53.87345 -15.23447      65.26557 
1 1 1 -26 24 13 o 101.1676 38.10263 2.302147       2.467985  2.050194       2.744221  3.368015       5.644301  100.8065 39.59160 129.6854 54.52413 -28.87893      67.38230 
1 1 1 -26 24 14 f 188.8437 25.81364 9.052699       2.233040  9.829141       2.415530  4.488704       5.856395  196.3170 26.86149 135.3936 56.12347 60.92337       62.22044 
1 1 1 -26 24 15 o 201.5986 26.15882 10.37991       2.422229  10.62718       2.654539  9.149822       5.920752  202.4725 28.67256 164.3619 59.51662 38.11052       66.06319 
1 1 1 -26 24 16 o 280.2130 21.97757 19.61223       2.873695  23.71901       3.258895  5.255649       6.093203  307.7261 22.67287 135.7616 56.84126 171.9645       61.19631 
1 1 1 -26 26 1  f 260.3323 22.20283 16.46723       2.692987  2.484245       5.840125  20.24334       3.034904  132.6629 55.60248 288.6922 22.52640 -156.0293      59.99228 
1 1 1 -26 26 2  o 110.4864 37.68648 2.948112       2.348836  6.226791       3.543614  0.3787750      3.136949  152.3230 45.76557 93.53709 40.03571 58.78587       60.80580 
1 1 1 -26 26 3  o 180.9901 30.52387 8.293005       2.506291  3.714507       3.631921  12.45545       3.462973  126.1708 46.47208 220.7645 34.47334 -94.59372      57.86247 
1 1 1 -26 26 4  o 183.7441 39.41055 8.923982       3.304240  7.845469       4.201787  10.67182       5.348993  168.2542 49.66835 192.6369 55.80611 -24.38275      74.70788 
1 1 1 -26 26 5  o 203.3088 29.95690 10.43047       2.779120  9.224643       3.197733  14.15280       5.618323  187.4824 37.56762 222.5147 54.18179 -35.03230      65.93172 
1 1 1 -26 26 6  o 103.7914 40.04706 2.137388       2.769055  4.187043       3.244052  -3.365042      5.315261  128.1729 44.26888 98.82970 46.17541 29.34323       63.96798 
1 1 1 -26 26 7  f 85.33353 38.27737 -0.8132181     3.185545  -1.625449      3.825318  1.024376       5.753770  89.16289 40.76467 121.5366 53.11118 -32.37373      66.95189 
1 1 1 -26 26 8  o 220.5309 38.94932 12.92695       3.892783  12.92695       3.892783  0.000000       0.000000  220.5309 38.94932 ?        ?        0.000000       38.94932 
1 1 1 -26 26 9  f 112.3458 40.11035 3.092599       2.678566  1.080662       3.086530  9.230084       5.390865  96.59803 40.45070 174.6991 57.04263 -78.10110      69.92940 
1 1 1 -26 26 10 o 202.9308 29.45420 10.53327       2.729532  10.75122       3.061223  9.687872       6.029055  202.9397 33.21650 175.4059 60.36351 27.53380       68.89912 
1 1 1 -26 26 11 o 151.1075 36.11942 6.185900       2.532530  4.361798       2.799565  14.40250       5.941717  126.5559 41.09647 213.7976 57.72831 -87.24168      70.86238 
1 1 1 -26 26 12 o 194.0613 28.13673 9.671905       2.493606  10.47616       2.804130  6.631986       5.451712  200.5661 30.69833 148.8260 56.49283 51.74016       64.29485 
1 1 1 -26 28 1  o 133.7655 37.32954 4.731859       2.438225  1.439953       4.967531  5.776638       2.798523  118.0756 50.45550 146.8666 39.60266 -28.79104      64.14148 
1 1 1 -26 28 2  o 194.1606 34.46802 9.775468       3.032782  5.680737       5.289390  11.78093       3.701692  148.1620 55.78514 211.2113 38.68306 -63.04932      67.88491 
1 1 1 -26 28 3  o 247.3728 24.68392 15.11414       2.833983  12.94029       4.035947  17.22852       3.980347  220.2153 40.45155 259.3987 33.39558 -39.18349      52.45563 
1 1 1 -26 28 4  o 86.31490 37.85594 -0.1329880     2.946632  1.178959       3.866864  -1.949762      4.550417  105.8630 44.85162 95.81413 44.04603 10.04884       62.86272 
1 1 1 -26 28 5  o 280.9518 23.34173 19.41997       3.056919  17.60820       3.518594  24.99703       6.173338  264.4720 28.74553 302.8270 44.67887 -38.35495      53.12728 
1 1 1 -25 1  1  o 541.6063 18.44739 69.20430       4.699893  63.37547       6.498834  75.59534       6.805037  516.7359 26.82837 565.2665 25.59222 -48.53064      37.07725 
1 1 1 -25 1  2  o 454.4535 19.68880 48.74925       4.208991  53.58042       6.358132  44.98060       5.615605  474.6596 28.60964 434.9324 27.59052 39.72723       39.74605 
1 1 1 -25 1  3  o 478.5979 17.93510 54.03943       4.037791  51.89927       5.766454  56.09821       5.655752  467.4730 26.33025 486.3294 24.80484 -18.85641      36.17405 
1 1 1 -25 1  4  f 748.6355 15.21957 132.1232       5.359722  131.7553       7.733510  132.4633       7.434888  746.6554 22.01847 748.8045 21.10749 -2.149109      30.50146 
1 1 1 -25 1  5  o 519.2512 17.58718 63.62016       4.295791  67.30484       5.668855  58.65042       6.583579  533.5187 22.58793 496.5020 28.30573 37.01675       36.21366 
1 1 1 -25 1  6  o 647.4023 15.74771 98.85068       4.795798  91.83843       6.505001  107.2005       7.098342  623.1760 22.19051 673.2448 22.41375 -50.06879      31.54037 
1 1 1 -25 1  7  o 803.2457 15.22202 152.1704       5.751617  169.9420       8.742001  138.6060       7.637460  847.6059 21.92540 765.6216 21.20633 81.98425       30.50298 
1 1 1 -25 1  8  o 221.7818 22.44755 11.76051       2.309625  9.646549       3.212631  14.02188       3.322758  197.9856 35.81348 240.9928 29.95702 -43.00725      46.69077 
1 1 1 -25 1  9  o 276.9917 18.34127 18.20930       2.376297  21.33007       3.281579  14.76876       3.445600  299.0828 23.51464 247.2274 30.25942 51.85547       38.32194 
1 1 1 -25 1  10 o 791.5045 13.75713 147.7841       5.122129  152.5699       7.222139  142.9406       7.265625  803.1173 19.11691 777.1821 19.87380 25.93524       27.57578 
1 1 1 -25 1  11 o 418.9541 16.32911 41.47692       3.218092  41.26040       4.486777  41.70631       4.618207  416.2861 23.00178 418.4112 23.55981 -2.125153      32.92638 
1 1 1 -25 1  12 o 690.4423 12.73067 112.4892       4.134736  114.4746       5.709909  110.3004       5.995326  695.5135 17.45237 682.4128 18.67654 13.10071       25.56166 
1 1 1 -25 1  13 o 950.3248 13.17710 213.2808       5.890621  202.6110       7.903934  226.6118       8.834763  924.5559 18.17359 977.3397 19.21675 -52.78381      26.44926 
1 1 1 -25 1  14 o 825.0157 12.72637 160.8005       4.938964  162.3510       6.937523  159.2070       7.032956  827.2261 17.82834 819.0058 18.25499 8.220276       25.51655 
1 1 1 -25 1  15 o 371.7223 14.17907 32.70922       2.479337  32.65546       3.411551  32.76940       3.609436  369.8162 19.68170 370.1360 20.81495 -0.3198242     28.64666 
1 1 1 -25 1  16 o 254.9534 22.14266 15.68126       2.629210  20.46671       3.711181  10.85910       3.725389  289.6674 27.56853 205.7774 39.92649 83.88997       48.51957 
1 1 1 -25 1  17 o 204.1857 20.27117 10.07621       1.921298  9.923848       2.622872  10.25263       2.822330  199.9970 28.70214 202.6754 30.55204 -2.678360      41.91944 
1 1 1 -25 1  18 o 439.5815 13.18776 45.85797       2.726966  44.22626       3.877599  47.45466       3.835765  429.5516 19.19014 445.3271 18.31064 -15.77557      26.52435 
1 1 1 -25 1  19 o 294.7563 15.77785 20.80007       2.179728  22.65476       3.160541  19.11768       3.010157  305.0970 22.17346 279.7483 23.08062 25.34869       32.00589 
1 1 1 -25 1  20 f 213.0605 20.01493 11.06870       1.982465  12.01395       2.856427  10.19024       2.753655  218.2737 28.50003 199.9585 30.21776 18.31523       41.53751 
1 1 1 -25 1  21 o 221.7932 26.64926 12.39008       2.724710  12.68831       3.003702  11.00476       6.473867  222.9595 29.35276 184.0105 62.56736 38.94897       69.11048 
1 1 1 -25 1  22 o 97.12766 33.20851 2.359302       1.823855  4.116058       2.448152  0.1681706      2.734115  122.7929 38.26271 84.15940 36.69889 38.63347       53.01739 
1 1 1 -25 1  23 o 175.4874 24.02884 7.799724       1.931470  5.777022       2.686859  9.962702       2.778465  142.9667 38.91103 194.1176 31.50813 -51.15086      50.06825 
1 1 1 -25 1  24 o 290.0423 20.24682 20.82687       2.745077  16.93520       3.645760  25.92152       4.171360  252.8683 31.31965 316.4469 28.32205 -63.57861      42.22628 
1 1 1 -25 1  25 o 172.2231 26.09907 7.726009       2.048138  9.420023       2.963038  6.176044       2.834260  183.3826 35.63255 144.4013 40.22932 38.98128       53.74084 
1 1 1 -25 1  26 o 177.5010 25.78248 8.269973       2.089792  7.196194       2.894262  9.439548       3.020610  154.7171 39.60090 180.7862 36.77084 -26.06908      54.04004 
1 1 1 -25 1  27 o 357.9357 17.00593 31.66792       2.863353  40.81658       4.323372  24.51939       3.821664  397.6498 23.21367 303.1390 27.08566 94.51083       35.67222 
1 1 1 -25 1  28 o 272.8926 45.04228 24.83179       5.580298  21.80737       7.516232  28.54638       8.329792  204.6614 67.38083 236.1485 69.99015 -31.48705      97.15347 
1 1 1 -25 1  29 o 168.3276 54.93251 12.94096       4.999656  10.00297       6.851545  16.28716       7.312065  129.4919 57.22243 156.9754 63.61797 -27.48347      85.56666 
1 1 1 -25 1  30 o 192.7375 69.09185 27.22652       7.955381  27.22652       7.955381  0.000000       0.000000  192.7375 69.09185 ?        ?        0.000000       69.09185 
1 1 1 -25 3  1  o 499.0876 18.96086 58.77980       4.451476  57.37640       6.451482  60.05511       6.150009  491.3520 28.02857 503.0713 26.07772 -11.71924      38.28379 
1 1 1 -25 3  2  o 125.5153 42.45509 3.516389       2.980612  2.397289       4.544926  4.360924       3.948220  129.3877 50.90850 141.1671 48.83311 -11.77934      70.54324 
1 1 1 -25 3  3  o 346.1154 22.15737 28.42538       3.588580  26.35519       5.498186  29.96178       4.736588  330.7972 35.91039 354.3647 28.66026 -23.56744      45.94526 
1 1 1 -25 3  4  o 1051.375 15.14431 260.5959       7.489906  246.5099       10.75684  273.8520       10.43514  1021.155 22.39359 1076.718 20.60284 -55.56287      30.42942 
1 1 1 -25 3  5  o 351.1316 20.24248 29.22168       3.329340  28.25463       4.459072  30.43995       5.004846  344.0829 27.78645 356.7902 30.10113 -12.70734      40.96541 
1 1 1 -25 3  6  o 765.2329 14.52464 138.0602       5.228394  132.4449       6.389887  149.4352       9.094569  749.0077 18.13584 794.4149 24.33691 -45.40723      30.35118 
1 1 1 -25 3  7  o 389.4081 17.09661 35.79282       3.131730  38.91231       5.019663  33.80474       4.007280  404.1622 26.55047 377.2610 22.68622 26.90125       34.92266 
1 1 1 -25 3  8  o 772.2244 14.32480 140.6382       5.203571  143.3528       7.479931  138.0923       7.243676  778.5543 20.42393 764.1918 20.15057 14.36255       28.69116 
1 1 1 -25 3  9  o 92.67171 34.23822 1.623062       1.974040  2.966279       2.733910  0.1599182      2.853347  116.7675 40.62172 90.83309 38.50835 25.93442       55.97336 
1 1 1 -25 3  10 o 483.6602 14.86023 55.21614       3.380923  55.49941       4.880004  54.95467       4.688442  483.9708 21.43541 481.7110 20.69058 2.259857       29.79223 
1 1 1 -25 3  11 o 426.8703 16.27332 43.06529       3.267693  49.67301       4.707417  36.92034       4.539582  457.5633 21.87068 393.2714 24.66367 64.29184       32.96397 
1 1 1 -25 3  12 o 610.1356 13.56597 87.89452       3.893557  93.03110       4.903718  79.13200       6.404758  627.1076 16.62318 576.6834 23.61000 50.42419       28.87494 
1 1 1 -25 3  13 o 237.9437 19.83063 13.53415       2.199412  13.43198       2.787608  13.70265       3.579782  235.7961 25.54015 236.1239 33.14172 -0.3277740     41.84104 
1 1 1 -25 3  14 o 364.8310 14.36497 31.48902       2.465277  34.39436       3.295577  27.79748       3.714808  380.5794 18.40844 340.3965 23.34066 40.18286       29.72637 
1 1 1 -25 3  15 o 221.3416 22.09318 11.81986       2.269598  13.82034       2.660806  6.477409       4.348274  239.0012 23.99079 159.3990 51.16324 79.60222       56.50872 
1 1 1 -25 3  16 o 550.9834 12.76676 71.85470       3.308938  72.32478       4.391414  71.23721       5.033021  551.4702 16.92829 546.2917 19.58551 5.178467       25.88743 
1 1 1 -25 3  17 o 157.5890 35.49568 6.392759       2.568082  5.701546       2.939120  8.623663       5.280215  147.7290 40.89944 177.6471 56.31274 -29.91806      69.59805 
1 1 1 -25 3  18 o 128.0121 31.87262 4.213009       1.911878  6.643877       2.837095  2.190745       2.587690  159.0489 38.36404 103.5153 39.01010 55.53366       54.71368 
1 1 1 -25 3  19 o 159.3957 24.93115 6.335813       1.808091  8.542231       2.555038  4.122515       2.559019  183.2113 30.73516 125.7690 39.10793 57.44226       49.74012 
1 1 1 -25 3  20 o 355.2807 18.79613 30.52750       3.130125  29.30737       6.411384  30.90934       3.586615  330.6628 42.17976 355.9934 21.51887 -25.33069      47.35181 
1 1 1 -25 3  21 o 56.06656 26.12293 -1.349954      1.682547  -1.613323      2.315407  -1.055272      2.449188  66.42826 30.84832 72.10563 32.83077 -5.677368      45.04973 
1 1 1 -25 3  22 o 375.8865 15.17658 33.96338       2.683490  36.19725       3.851115  31.85505       3.741323  383.4476 21.43649 359.0183 22.26314 24.42932       30.90583 
1 1 1 -25 3  23 o 178.6593 23.56984 8.061545       1.932491  5.049842       2.826106  10.70649       2.648446  133.0295 41.05423 203.2993 28.47528 -70.26978      49.96290 
1 1 1 -25 3  24 o 172.1305 25.04394 7.603690       1.968360  7.883447       2.894267  7.362947       2.684874  167.0659 37.72116 162.4675 36.07100 4.598389       52.19199 
1 1 1 -25 3  25 f 354.1974 17.29327 30.68681       2.881322  29.08740       4.413235  31.87507       3.803928  333.3104 28.41892 355.3278 22.87962 -22.01736      36.48441 
1 1 1 -25 3  26 o 213.2887 23.93078 11.74148       2.359595  11.11585       3.496410  12.26471       3.197526  193.4197 39.75709 209.6673 33.55140 -16.24757      52.02233 
1 1 1 -25 3  27 o 81.54593 35.12767 0.8586119      2.443622  10.60345       7.285705  -0.3765602     2.593869  147.4833 61.97378 74.41879 33.84631 73.06454       70.61389 
1 1 1 -25 3  28 o 215.6898 66.97988 23.42450       7.509228  23.42450       7.509228  0.000000       0.000000  215.6898 66.97988 ?        ?        0.000000       66.97988 
1 1 1 -25 3  29 o 126.9812 51.22216 7.508976       4.716344  5.630203       6.570009  9.506540       6.774529  112.2775 52.07838 126.9436 56.45772 -14.66611      76.80906 
1 1 1 -25 3  30 o 115.2670 53.05151 8.810940       6.628066  8.810940       6.628066  0.000000       0.000000  115.2670 53.05151 ?        ?        0.000000       53.05151 
1 1 1 -25 3  31 o 102.5244 48.85438 7.666469       6.512267  7.666469       6.512267  0.000000       0.000000  102.5244 48.85438 ?        ?        0.000000       48.85438 
1 1 1 -25 5  1  o 401.6219 18.40362 38.06237       3.476882  56.03449       7.755370  33.54149       3.889680  484.1822 34.27201 376.1078 22.08214 108.0743       40.76999 
1 1 1 -25 5  2  o 742.0350 16.11325 129.8395       5.624410  134.8637       8.951026  126.5615       7.229990  754.8515 25.20821 731.9512 20.99840 22.90027       32.80833 
1 1 1 -25 5  3  o 457.6579 17.52513 49.41854       3.772868  52.64203       6.335620  47.64730       4.696392  470.2364 28.78053 448.9507 22.23803 21.28561       36.37099 
1 1 1 -25 5  4  o 576.5987 16.28393 78.41924       4.416743  75.41286       5.841591  82.43163       6.748552  564.7778 21.98792 590.1363 24.31022 -25.35852      32.77889 
1 1 1 -25 5  5  o 744.1425 15.40629 130.5921       5.392915  121.1358       6.768829  147.0274       8.923671  716.0219 20.09639 788.0609 24.07213 -72.03900      31.35813 
1 1 1 -25 5  6  o 686.6251 14.60957 111.1714       4.718743  112.0232       6.371685  110.1367       7.022274  688.5334 19.67252 682.3367 21.87811 6.196777       29.42209 
1 1 1 -25 5  7  o 868.4679 13.72663 177.8298       5.607730  175.3056       6.931952  182.6100       9.539359  861.7038 17.10126 878.1105 23.09408 -16.40674      28.73656 
1 1 1 -25 5  8  o 928.1371 14.69208 203.2277       6.414530  208.6026       9.197750  198.1381       8.950339  938.8944 20.82550 915.0505 20.79338 23.84393       29.42901 
1 1 1 -25 5  9  o 172.4518 27.56284 7.247212       2.160650  6.022495       3.182208  8.294745       2.943029  155.3272 42.37579 183.0518 35.45920 -27.72462      55.25452 
1 1 1 -25 5  10 o 473.1429 15.24894 52.86578       3.393918  49.31629       4.660014  56.87532       4.952806  456.0399 21.72276 489.7857 21.49690 -33.74582      30.56133 
1 1 1 -25 5  11 o 534.3196 13.83677 67.40244       3.477805  63.88792       4.256061  74.46493       6.033279  519.6337 17.41170 559.7875 22.91189 -40.15381      28.77711 
1 1 1 -25 5  12 o 847.0472 14.60312 169.5698       5.818654  166.6626       7.025196  175.9215       10.38394  838.7734 17.80510 858.4393 25.71481 -19.66583      31.27736 
1 1 1 -25 5  13 o 399.8517 14.61677 37.81445       2.749284  43.59104       3.570485  29.40128       4.308951  428.7517 17.70321 349.4456 26.40831 79.30603       31.79312 
1 1 1 -25 5  14 o 668.2412 12.68669 105.5410       3.987961  102.7474       5.057738  110.1321       6.483947  658.2874 16.33321 680.0611 20.26853 -21.77368      26.03050 
1 1 1 -25 5  15 o 449.2954 15.07967 47.86067       3.187081  52.81269       3.762633  35.28538       5.995967  471.4681 16.96564 378.3103 34.05827 93.15778       38.04995 
1 1 1 -25 5  16 o 551.9147 12.82187 72.12786       3.328837  78.54617       4.583596  64.96420       4.842433  574.5062 16.96064 521.4006 19.74344 53.10553       26.02819 
1 1 1 -25 5  17 o 288.1638 18.44163 19.92491       2.486703  19.89893       3.552988  19.94985       3.481559  284.8789 26.82936 285.5053 26.21614 -0.6264343     37.51134 
1 1 1 -25 5  18 o 293.3955 16.27092 20.60473       2.236814  20.33449       2.976838  20.95518       3.389932  289.3789 22.03408 292.5486 24.86919 -3.169769      33.22615 
1 1 1 -25 5  19 o 670.6990 12.93046 106.9504       4.079537  123.8074       6.197347  94.06033       5.419292  717.7214 18.35611 625.5399 18.41698 92.18146       26.00253 
1 1 1 -25 5  20 o 143.1381 26.88326 5.220798       1.743648  9.448979       2.657270  2.023663       2.310678  191.9862 30.43917 97.56179 36.83994 94.42442       47.78833 
1 1 1 -25 5  21 o 71.27759 29.64215 0.4886716      1.641269  1.468194       2.394000  -0.3800129     2.254488  91.74292 36.67419 73.57412 32.65268 18.16880       49.10390 
1 1 1 -25 5  22 o 175.2044 32.48919 8.139848       2.579051  9.715426       2.816202  -0.5089180E-01 6.421039  191.8483 32.35710 116.1938 53.00291 75.65445       62.09904 
1 1 1 -25 5  23 o 467.0453 15.08346 52.56112       3.313823  55.01377       4.528038  49.73246       4.862750  473.2098 20.34169 446.5458 23.22996 26.66397       30.87743 
1 1 1 -25 5  24 o 233.9828 20.54116 13.61546       2.238004  10.69737       3.186251  16.45704       3.144199  196.8820 35.71911 252.7472 26.85715 -55.86519      44.68961 
1 1 1 -25 5  25 o 521.6341 21.85894 68.16057       5.363698  68.16057       5.363698  0.000000       0.000000  521.6341 21.85894 ?        ?        0.000000       21.85894 
1 1 1 -25 5  26 o 194.1022 24.96611 9.833044       2.226714  12.72768       3.533334  7.926058       2.867883  209.6717 37.18575 163.7016 37.97751 45.97011       53.15140 
1 1 1 -25 5  27 o 166.1588 36.60732 8.252954       2.784049  10.96017       7.408761  7.807813       3.004230  147.4961 62.26395 157.5034 40.36357 -10.00728      74.20254 
1 1 1 -25 5  28 o 239.4649 28.68845 15.97553       3.167272  18.35910       7.119054  15.38730       3.536559  183.7581 65.41369 228.2840 33.96838 -44.52592      73.70754 
1 1 1 -25 5  29 o 81.12489 39.21502 -1.784344      4.553593  4.200357       6.551298  -7.378122      6.333718  106.4425 50.21010 79.11594 39.65279 27.32655       63.97967 
1 1 1 -25 5  30 o 81.46655 40.44239 -2.990488      5.945006  -2.990488      5.945006  0.000000       0.000000  81.46655 40.44239 ?        ?        0.000000       40.44239 
1 1 1 -25 5  31 o 148.9147 60.80336 19.75030       6.739808  19.75030       6.739808  0.000000       0.000000  148.9147 60.80336 ?        ?        0.000000       60.80336 
1 1 1 -25 7  1  o 296.5446 22.18842 20.90485       3.072747  15.46671       6.511971  22.46247       3.485133  247.5351 57.09029 307.1385 24.32103 -59.60347      62.05493 
1 1 1 -25 7  2  o 736.1577 15.77433 127.8044       5.462494  120.8387       8.677495  132.3766       7.030243  714.2089 25.82854 748.6068 19.96399 -34.39789      32.64466 
1 1 1 -25 7  3  o 880.5482 15.38314 182.8496       6.371877  178.7206       10.25397  185.4470       8.132696  868.6461 25.09457 886.0681 19.51184 -17.42200      31.78757 
1 1 1 -25 7  4  o 1104.668 20.10735 288.3713       10.44855  260.0055       14.10818  322.8300       15.54974  1046.393 28.66203 1166.099 28.34773 -119.7064      40.31260 
1 1 1 -25 7  5  o 635.6194 17.89150 95.40011       5.349500  96.84900       9.279725  94.67896       6.546797  637.9343 30.92359 632.5743 22.00128 5.359924       37.95161 
1 1 1 -25 7  6  o 968.2100 19.24736 221.5651       8.766171  221.5651       8.766171  0.000000       0.000000  968.2100 19.24736 ?        ?        0.000000       19.24736 
1 1 1 -25 7  7  o 768.6130 13.93552 139.3337       5.038487  142.9062       6.483913  133.8882       8.005124  777.7414 17.72281 751.7443 22.63751 25.99713       28.74987 
1 1 1 -25 7  8  o 254.7229 19.60016 15.44144       2.330503  9.747635       3.052782  23.39477       3.608021  199.1961 33.78699 312.9475 24.71018 -113.7514      41.85873 
1 1 1 -25 7  9  o 1076.597 15.12472 273.6906       7.659665  280.8259       10.65611  266.0627       11.01774  1088.627 20.80896 1059.117 22.11462 29.51038       30.36559 
1 1 1 -25 7  10 o 708.5160 14.97036 118.5845       4.989434  118.7872       7.260461  118.4032       6.868124  707.3972 21.81883 706.5872 20.66346 0.8100586      30.05062 
1 1 1 -25 7  11 o 250.1602 32.35585 15.29001       3.718283  0.000000       0.000000  15.29001       3.718283  ?        ?        250.1602 32.35585 0.000000       32.35585 
1 1 1 -25 7  12 o 299.2495 16.42488 21.26819       2.303249  22.60989       2.711475  17.79132       4.364881  308.1191 18.79749 268.7333 35.38960 39.38583       40.07206 
1 1 1 -25 7  13 o 136.1837 28.41666 4.621674       1.761539  5.199952       2.023922  2.815060       3.577327  144.1302 30.78709 120.9398 45.79706 23.19043       55.18347 
1 1 1 -25 7  14 f 240.8433 21.37676 13.95457       2.396668  15.18033       2.488013  -1.825208      8.926891  251.3078 21.24542 141.6137 63.75311 109.6941       67.19990 
1 1 1 -25 7  15 o 287.1064 16.86122 19.66462       2.267206  22.65224       2.708994  12.67915       4.142316  307.7029 18.80603 222.1270 41.15926 85.57591       45.25209 
1 1 1 -25 7  16 o 81.09984 31.69565 1.052078       1.751768  1.633921       2.098638  -0.2847829     3.181104  92.69609 35.08327 90.21703 39.45607 2.479057       52.79789 
1 1 1 -25 7  17 o 90.29648 32.49197 1.765646       1.760954  3.534287       2.226366  -1.189762      2.877963  118.0540 36.43961 79.52921 35.96400 38.52483       51.19819 
1 1 1 -25 7  18 o 446.5880 15.79224 47.60578       3.317571  44.88704       4.723795  50.25199       4.660356  429.2845 23.48150 455.8586 21.73300 -26.57410      31.99537 
1 1 1 -25 7  19 o 113.3391 38.83786 3.204817       2.494662  6.727111       4.502316  1.644368       2.996732  154.8714 52.17992 100.9330 40.78949 53.93839       66.23087 
1 1 1 -25 7  20 o 204.7075 21.27669 10.30470       2.018902  13.96005       2.964908  7.144574       2.756758  235.5297 27.26473 163.1002 36.80565 72.42953       45.80416 
1 1 1 -25 7  21 f 450.4653 20.18749 49.45905       4.277725  49.45905       4.277725  0.000000       0.000000  450.4653 20.18749 ?        ?        0.000000       20.18749 
1 1 1 -25 7  22 o 104.9659 34.20266 2.884833       1.938486  4.987664       2.738883  0.7741529      2.743989  133.2804 40.27784 88.67339 37.68563 44.60700       55.15897 
1 1 1 -25 7  23 o 160.2427 26.46939 6.631423       1.925557  8.863414       2.912478  4.898202       2.566513  179.8427 35.68666 131.6082 38.80894 48.23448       52.72259 
1 1 1 -25 7  24 o 267.1180 19.09917 17.60985       2.384036  14.09624       3.364758  21.15191       3.378355  229.4004 32.05682 288.0310 25.18753 -58.63060      40.76826 
1 1 1 -25 7  25 o 365.1967 17.11004 32.65474       2.939322  29.66885       4.239710  35.41803       4.078625  337.6951 26.91307 373.5117 23.33029 -35.81665      35.61763 
1 1 1 -25 7  26 o 161.5374 39.09593 7.870703       2.938800  0.000000       0.000000  7.870703       2.938800  ?        ?        161.5374 39.09593 0.000000       39.09593 
1 1 1 -25 7  27 o 227.3562 30.11637 14.35727       3.141637  7.294888       6.895047  16.20759       3.529271  130.0434 57.43810 239.2033 32.18180 -109.1599      65.83923 
1 1 1 -25 7  28 o 87.76302 36.93326 1.771385       2.593759  -9.444115      6.116474  4.230453       2.864027  76.66750 38.49970 111.7164 41.24708 -35.04890      56.42294 
1 1 1 -25 7  29 f 166.9558 45.98313 10.70345       3.726287  5.383472       6.627209  13.16290       4.506044  108.6340 51.01236 175.7422 51.30956 -67.10818      72.35283 
1 1 1 -25 7  30 o 81.30814 40.31395 -2.380203      5.836449  -2.380203      5.836449  0.000000       0.000000  81.30814 40.31395 ?        ?        0.000000       40.31395 
1 1 1 -25 9  1  o 671.4230 14.77488 106.3066       4.666482  112.5149       10.40917  104.7451       5.220476  687.4166 32.19043 666.2392 16.65753 21.17737       36.24496 
1 1 1 -25 9  2  o 295.9052 19.50585 20.77882       2.699878  20.35672       6.517279  20.86627       2.966389  285.9630 50.28492 296.2607 21.43018 -10.29761      54.66101 
1 1 1 -25 9  3  o 185.6509 34.92226 8.490432       2.937845  16.09056       4.707325  3.641499       3.759991  255.9837 40.43518 132.3504 47.49374 123.6332       62.37515 
1 1 1 -25 9  4  o 399.9783 18.31910 37.79676       3.446751  36.25397       5.242408  38.97147       4.574463  389.4206 28.82294 404.7801 24.13405 -15.35953      37.59275 
1 1 1 -25 9  5  o 456.9173 16.46315 49.29247       3.538505  48.36891       5.253372  50.05945       4.787424  450.8442 24.86709 459.7477 22.13670 -8.903564      33.29273 
1 1 1 -25 9  6  o 440.7252 16.00190 45.86281       3.317483  49.13313       4.809855  42.89537       4.581713  455.3138 22.45701 424.7422 23.01746 30.57153       32.15775 
1 1 1 -25 9  7  o 680.9708 14.38691 109.4407       4.608559  106.0402       5.897452  114.7741       7.385880  669.5168 18.72551 695.6366 22.57099 -26.11975      29.32736 
1 1 1 -25 9  8  o 592.5544 13.32551 82.85044       3.714339  85.37066       4.752350  78.89418       5.954320  600.9278 16.81190 576.6468 21.95093 24.28101       27.64929 
1 1 1 -25 9  9  o 315.4924 18.12409 23.64232       2.678471  25.24351       3.629345  21.72711       3.969304  324.8874 23.91610 300.2140 28.44639 24.67346       37.16419 
1 1 1 -25 9  10 o 524.4709 13.60363 64.96717       3.356183  61.30172       4.097172  72.44292       5.851240  508.8433 17.11713 551.8231 22.54129 -42.97983      28.30381 
1 1 1 -25 9  11 o 246.4994 18.58919 14.49624       2.139628  16.44070       2.541761  9.767684       3.963698  262.1584 20.78139 195.4374 44.15549 66.72104       48.80137 
1 1 1 -25 9  12 o 74.46038 31.94345 -0.3471887E-01 2.005204  0.3094531      2.375336  -0.8882284     3.740603  83.82616 35.31381 95.28137 42.18394 -11.45521      55.01409 
1 1 1 -25 9  13 f 440.3056 15.74770 45.96871       3.261674  45.96871       3.261674  0.000000       0.000000  440.3056 15.74770 ?        ?        0.000000       15.74770 
1 1 1 -25 9  14 o 168.9424 26.50284 7.040509       2.036904  7.087183       2.078621  5.912604       10.21825  169.3719 26.99570 179.0080 74.16264 -9.636124      78.92316 
1 1 1 -25 9  15 o 375.7788 14.90980 33.52820       2.635563  31.92562       3.033687  38.46019       5.321968  366.0056 17.62032 396.5151 28.72748 -30.50952      33.70080 
1 1 1 -25 9  16 f 139.9766 30.79717 4.992606       1.972788  5.438603       2.232095  3.400670       4.217053  145.4942 33.32929 128.1734 49.43024 17.32077       59.61703 
1 1 1 -25 9  17 o 278.0508 17.68964 18.57466       2.301701  19.33264       2.754593  16.82106       4.189795  282.5400 20.87343 256.4776 35.69522 26.06247       41.35032 
1 1 1 -25 9  18 o 115.1260 36.65977 3.390786       2.235837  5.986920       3.055246  0.3974046      3.280678  148.8102 41.87846 94.65048 40.73752 54.15974       58.42389 
1 1 1 -25 9  19 o 224.6449 21.28044 12.36182       2.221964  12.42065       2.761214  12.25373       3.742729  222.6014 26.91630 214.5634 38.49653 8.038010       46.97308 
1 1 1 -25 9  20 f 98.01819 33.90876 2.344956       1.903703  3.336249       2.392965  0.6360160      3.141945  113.5086 38.04215 93.33186 40.01088 20.17674       55.20938 
1 1 1 -25 9  21 o 93.39805 34.05923 2.016852       1.943898  0.9220355      2.568262  3.485326       2.974416  88.30408 36.93129 116.6018 42.19012 -28.29768      56.07073 
1 1 1 -25 9  22 o 151.5462 28.30537 5.982439       1.943620  6.010456       2.574458  5.945304       2.963886  147.2734 37.16162 144.3063 41.46476 2.967148       55.68045 
1 1 1 -25 9  23 o 106.8984 39.50389 2.903458       2.628241  4.804855       2.872621  -6.866826      6.511717  129.3226 41.59316 93.79942 45.70311 35.52320       61.79617 
1 1 1 -25 9  24 o 56.02291 26.64354 -1.975856      1.917555  -3.532383      2.928132  -0.8070899     2.537325  65.40874 31.57506 73.19904 33.36252 -7.790291      45.93519 
1 1 1 -25 9  25 o 254.1987 24.29344 16.61696       2.869532  30.32105       7.435450  14.21869       3.110504  299.2422 54.84313 230.6510 29.33209 68.59119       62.19437 
1 1 1 -25 9  26 f 259.2701 25.10821 17.60924       3.023863  20.42509       7.389201  17.04282       3.314068  213.0764 66.48750 251.4303 28.52525 -38.35384      72.34830 
1 1 1 -25 9  27 o 85.31127 36.54228 1.276824       2.616912  5.719382       6.662501  0.4664060      2.845609  121.4436 54.83698 81.44984 36.38139 39.99372       65.80805 
1 1 1 -25 9  28 o 72.73484 33.85715 -0.6478986     2.815720  -1.941142      6.612527  -0.3614745     3.111947  92.61453 45.32515 77.07793 35.78349 15.53661       57.74797 
1 1 1 -25 9  29 o 267.1920 32.25646 21.77492       3.972209  12.12545       6.486313  27.56540       5.024620  133.9260 57.45275 289.0112 37.87019 -155.0852      68.81112 
1 1 1 -25 9  30 o 104.9082 49.61144 7.395958       6.470206  7.395958       6.470206  0.000000       0.000000  104.9082 49.61144 ?        ?        0.000000       49.61144 
1 1 1 -25 11 1  o 346.0009 17.27920 28.27794       2.812355  27.04519       6.712778  28.54038       3.097284  331.8528 44.09353 346.9287 19.05188 -15.07596      48.03346 
1 1 1 -25 11 2  o 202.0125 25.52356 9.839592       2.371305  6.753865       6.028873  10.40434       2.579189  172.5954 60.30737 207.5114 27.06695 -34.91600      66.10294 
1 1 1 -25 11 3  o 587.7486 15.98183 81.56818       4.418629  76.81380       6.257623  86.29607       6.240183  569.0988 23.37505 603.4932 21.98141 -34.39441      32.08700 
1 1 1 -25 11 4  o 705.1183 15.64030 117.4025       5.187717  105.8054       6.944582  132.0452       7.803362  668.0775 22.09784 746.3011 22.22789 -78.22363      31.34316 
1 1 1 -25 11 5  o 185.6742 29.81495 8.428947       2.515958  7.496768       4.133855  8.977408       3.170870  172.5828 48.76379 190.1293 36.78358 -17.54646      61.08141 
1 1 1 -25 11 6  o 749.6466 14.63049 132.6968       5.159227  117.8851       6.327740  162.0690       8.910742  705.6051 19.06416 826.1113 22.93010 -120.5062      29.81999 
1 1 1 -25 11 7  o 126.2226 36.88708 3.926003       2.327892  8.564168       3.591323  0.5651011      3.057098  184.0732 42.35578 96.60448 40.33845 87.46867       58.49105 
1 1 1 -25 11 8  o 318.3047 17.13191 24.05068       2.555740  20.64611       3.286464  29.25981       4.065187  293.4949 24.01480 349.5076 24.88863 -56.01276      34.58547 
1 1 1 -25 11 9  o 85.88943 34.67500 0.8445440      2.163269  -2.912413      2.838945  6.046374       3.340542  70.72530 33.26779 154.6178 43.88753 -83.89246      55.07141 
1 1 1 -25 11 10 o 618.0198 12.48920 90.20895       3.630832  89.09327       4.217942  93.40072       7.134216  613.7172 14.61043 625.2733 24.25533 -11.55609      28.31582 
1 1 1 -25 11 11 o 607.2314 13.03812 87.16415       3.724248  92.88658       4.715255  77.67419       6.072212  626.0477 16.01137 570.3420 22.63301 55.70569       27.72394 
1 1 1 -25 11 12 o 384.2805 14.55589 34.97772       2.631216  35.91233       3.029101  32.10464       5.310937  388.9807 16.55451 362.2951 31.47581 26.68567       35.56372 
1 1 1 -25 11 13 o 471.5248 15.37009 52.75719       3.409183  52.75719       3.409183  0.000000       0.000000  471.5248 15.37009 ?        ?        0.000000       15.37009 
1 1 1 -25 11 14 o 337.9823 15.08329 27.12671       2.398056  26.43608       2.697077  29.73354       5.239920  332.7223 17.29185 346.5477 32.52394 -13.82538      36.83497 
1 1 1 -25 11 15 o 347.5313 15.75403 28.74636       2.575461  28.07273       2.899484  31.26503       5.606575  342.3461 18.06871 353.4497 34.14627 -11.10367      38.63219 
1 1 1 -25 11 16 o 235.6127 19.83720 13.42521       2.178154  12.84794       2.457745  15.53824       4.702161  229.3459 23.09543 242.5933 42.76780 -13.24742      48.60538 
1 1 1 -25 11 17 o 66.89022 29.80175 -0.5464939     1.896358  -0.5633519     2.083197  -0.4649585     4.581422  70.19416 31.25740 104.1982 46.38007 -34.00401      55.92974 
1 1 1 -25 11 18 o 184.0135 49.91072 9.679146       4.429617  0.000000       0.000000  9.679146       4.429617  ?        ?        184.0135 49.91072 0.000000       49.91072 
1 1 1 -25 11 19 o 272.8664 25.25094 18.50984       3.204388  23.35910       5.158887  15.46368       4.088793  297.5829 37.69888 241.9023 37.11765 55.68062       52.90487 
1 1 1 -25 11 20 o 239.5027 22.34546 14.17069       2.488423  12.57665       2.952522  18.07967       4.623546  221.9748 28.96668 259.0561 39.16362 -37.08122      48.71199 
1 1 1 -25 11 21 o 243.8145 21.85791 14.70753       2.480285  16.42463       2.989569  10.91558       4.442652  255.7532 25.17588 191.4305 49.09871 64.32266       55.17706 
1 1 1 -25 11 22 o 121.0594 34.69799 4.002417       2.077796  7.357612       2.805348  -0.7475729E-01 3.092484  162.8100 37.41487 86.34148 38.28446 76.46848       53.53104 
1 1 1 -25 11 23 o 189.6464 33.90125 9.776956       2.913331  12.43960       3.205706  -2.854935      6.982349  215.3446 32.67181 107.0805 50.90092 108.2642       60.48430 
1 1 1 -25 11 24 o 184.7418 25.89165 8.868021       2.188259  9.423481       3.275175  8.420113       2.941051  179.6619 39.80136 171.4529 37.50923 8.209030       54.69086 
1 1 1 -25 11 25 o 83.05840 35.72682 0.7971165      2.520266  3.192628       6.272953  0.3360106      2.752157  118.6159 53.41714 82.12205 36.27938 36.49390       64.57233 
1 1 1 -25 11 26 o 73.11569 33.29549 -0.4187969     2.520173  -10.62723      5.891012  1.867985       2.788192  75.85979 38.05135 92.57185 38.57787 -16.71205      54.18632 
1 1 1 -25 11 27 o 243.8579 32.92358 17.31698       3.680157  0.000000       0.000000  17.31698       3.680157  ?        ?        243.8579 32.92358 0.000000       32.92358 
1 1 1 -25 11 28 o 73.26268 34.61008 -1.024572      3.133979  -2.999406      6.199344  -0.3466112     3.632308  86.93649 42.81371 80.38678 37.75380 6.549706       57.08208 
1 1 1 -25 11 29 o 94.56451 41.13920 3.098452       3.418447  4.907848       5.745105  2.106718       4.253325  102.7407 48.00389 90.61803 41.98612 12.12269       63.77467 
1 1 1 -25 13 1  o 288.6609 18.88479 19.80564       2.550169  23.43936       6.563257  19.15950       2.767632  306.5838 47.00900 283.5558 20.89640 23.02798       51.44419 
1 1 1 -25 13 2  o 226.3864 22.83390 12.28935       2.398427  17.96374       6.333187  11.33928       2.591448  265.6236 52.54681 216.7495 25.93128 48.87402       58.59691 
1 1 1 -25 13 3  o 260.2904 21.71732 16.18664       2.634812  8.233814       4.374767  20.71344       3.300576  180.0321 49.91823 294.1950 24.06036 -114.1629      55.41417 
1 1 1 -25 13 4  o 97.27036 36.41256 1.750013       2.247233  -2.534621      4.354283  3.305589       2.623647  95.61962 43.62916 119.4984 39.83225 -23.87878      59.07717 
1 1 1 -25 13 5  o 273.3873 21.35254 17.85320       2.724189  15.50522       4.383038  19.33116       3.477433  250.2488 38.46476 283.4379 26.38450 -33.18903      46.64418 
1 1 1 -25 13 6  o 197.7258 26.87690 9.507497       2.435054  12.87477       3.912297  7.378122       3.111131  227.5531 37.88112 170.8870 39.49450 56.66608       54.72472 
1 1 1 -25 13 7  o 415.4190 16.67197 40.86372       3.257936  37.00830       4.387868  45.60048       4.863606  393.2715 23.83122 436.7065 23.76497 -43.43494      33.65562 
1 1 1 -25 13 8  o 425.2896 17.91954 42.90100       3.584931  40.09293       4.697031  46.81927       5.548373  408.9421 24.53035 441.2173 26.86064 -32.27521      36.37626 
1 1 1 -25 13 9  o 261.7119 17.80275 16.32937       2.178666  15.89312       2.546486  17.52081       4.208297  257.4472 21.21626 266.4785 34.37314 -9.031311      40.39360 
1 1 1 -25 13 10 o 394.3864 14.12294 36.81361       2.620092  39.26160       3.080470  30.41023       4.982156  406.9084 16.09352 353.3210 30.26856 53.58737       34.28100 
1 1 1 -25 13 11 o 68.32258 29.12798 0.5030447E-01  1.648659  0.3270193      1.801193  -1.379013      4.093628  74.05193 30.94579 96.59958 43.35694 -22.54765      53.26787 
1 1 1 -25 13 12 o 66.99027 28.87670 -0.8065102E-01 1.653539  -0.5918590     1.813875  2.433494       4.022570  65.59769 29.19201 120.3643 47.72302 -54.76657      55.94337 
1 1 1 -25 13 13 o 152.8492 27.80890 5.837790       1.925817  5.837790       1.925817  0.000000       0.000000  152.8492 27.80890 ?        ?        0.000000       27.80890 
1 1 1 -25 13 14 o 544.7910 15.41624 70.61105       3.950733  70.61105       3.950733  0.000000       0.000000  544.7910 15.41624 ?        ?        0.000000       15.41624 
1 1 1 -25 13 15 o 350.5462 15.56672 29.28257       2.566916  29.68033       2.868202  27.68208       5.753434  352.3801 17.30330 328.8340 37.88763 23.54608       41.65185 
1 1 1 -25 13 16 o 495.3592 14.33463 58.43255       3.340228  63.01203       3.894377  45.68793       6.496709  513.5690 16.12018 426.1712 32.65553 87.39786       36.41763 
1 1 1 -25 13 17 f 408.9190 27.41829 41.46849       5.243549  41.46849       5.243549  0.000000       0.000000  408.9190 27.41829 ?        ?        0.000000       27.41829 
1 1 1 -25 13 18 o 208.2085 23.30722 10.71828       2.243592  10.51830       2.510058  11.51301       5.003720  204.7189 26.70066 198.0878 52.75623 6.631165       59.12821 
1 1 1 -25 13 19 o 409.9316 19.14990 40.68722       3.692727  52.28894       5.083547  27.72629       5.373083  460.8568 23.52777 325.7962 35.64102 135.0606       42.70642 
1 1 1 -25 13 20 o 228.3553 22.20160 12.90048       2.354717  15.14990       2.842045  7.975609       4.205259  246.1187 24.89019 163.8203 49.99870 82.29839       55.85151 
1 1 1 -25 13 21 o 306.2787 19.05099 22.92514       2.731157  23.77080       3.283283  21.02557       4.920831  309.4828 22.71151 277.8215 38.70462 31.66129       44.87606 
1 1 1 -25 13 22 o 73.03249 31.83977 0.6027600E-01  2.057001  -2.016743      2.652396  3.194566       3.258275  68.74064 32.27700 113.0235 43.48796 -44.28288      54.15726 
1 1 1 -25 13 23 o 84.95427 34.44212 1.278114       2.144017  0.5932332      2.890563  2.115741       3.196690  87.23703 37.89035 101.7602 41.74945 -14.52316      56.37992 
1 1 1 -25 13 24 o 244.1619 46.00362 18.45405       5.089889  22.98454       7.296055  14.15874       7.104159  246.3877 62.77299 181.2715 65.25816 65.11615       90.54874 
1 1 1 -25 13 25 o 227.6103 30.61066 14.22215       3.194341  7.446493       6.588985  16.30392       3.652241  136.1651 58.14556 241.0987 33.07453 -104.9335      66.89417 
1 1 1 -25 13 26 o 122.2858 55.06125 5.787753       6.662013  0.000000       0.000000  5.787753       6.662013  ?        ?        122.2858 55.06125 0.000000       55.06125 
1 1 1 -25 13 27 o 365.5014 26.81924 36.75940       4.578911  25.52319       7.741217  42.80619       5.678870  215.6645 68.16537 383.6423 31.75322 -167.9778      75.19830 
1 1 1 -25 13 28 o 102.5868 42.80478 3.889091       3.438747  -5.350773      5.813655  8.861475       4.264801  78.63301 39.19134 137.6460 50.40983 -59.01297      63.85227 
1 1 1 -25 15 1  o 497.9302 13.65989 58.55536       3.199522  66.91439       8.407014  57.13959       3.459881  525.6000 34.18894 491.6722 14.95947 33.92786       37.31849 
1 1 1 -25 15 2  o 336.9732 35.27317 27.73322       5.508398  27.73322       5.508398  0.000000       0.000000  336.9732 35.27317 ?        ?        0.000000       35.27317 
1 1 1 -25 15 3  o 404.6097 15.73948 38.72924       2.995684  33.96384       5.612798  40.62745       3.542426  374.1808 32.20178 414.0037 18.18977 -39.82288      36.98409 
1 1 1 -25 15 4  o 280.9647 20.28796 18.84944       2.663355  20.87311       4.710239  17.89834       3.229131  291.6338 35.03613 272.5569 25.48167 19.07684       43.32257 
1 1 1 -25 15 5  o 347.2755 18.99774 28.71337       3.091691  26.31218       4.804643  30.41023       4.038980  328.9045 31.43721 356.0837 24.25747 -27.17917      39.70797 
1 1 1 -25 15 6  o 190.5912 29.72520 8.942580       2.578046  8.099974       4.167455  9.464924       3.281230  176.9529 48.58485 193.9714 37.31566 -17.01851      61.26129 
1 1 1 -25 15 7  o 558.1108 15.47790 73.77831       4.063514  71.56028       5.335023  76.84305       6.271166  548.1509 20.69030 566.9976 23.51244 -18.84668      31.31970 
1 1 1 -25 15 8  o 153.8254 36.39671 6.016697       2.592567  7.421126       4.075966  5.062426       3.359824  169.0217 48.64263 142.2807 44.90057 26.74106       66.19794 
1 1 1 -25 15 9  o 417.0034 16.48182 41.28043       3.233062  43.68826       4.223258  37.87159       5.025031  427.7678 20.98796 395.4305 27.17969 32.33728       34.33992 
1 1 1 -25 15 10 o 125.1281 32.22367 3.966832       1.908180  3.541165       2.189350  5.312129       3.892147  119.0689 36.01746 145.7779 48.51141 -26.70903      60.42031 
1 1 1 -25 15 11 o 79.47895 30.85153 1.031738       1.651072  0.1597216      1.813402  5.258621       3.992472  72.35837 30.68884 145.0032 49.13536 -72.64487      57.93176 
1 1 1 -25 15 12 o 408.2592 14.36223 39.56709       2.758208  39.56709       2.758208  0.000000       0.000000  408.2592 14.36223 ?        ?        0.000000       14.36223 
1 1 1 -25 15 13 o 86.55583 31.47393 1.573008       1.658283  1.729617       1.760574  0.3415577      4.936910  89.87246 32.46827 113.6852 49.44814 -23.81271      59.15494 
1 1 1 -25 15 14 o 86.48964 31.59096 1.570630       1.673328  1.572881       1.780154  1.553546       4.904256  87.73432 32.49361 119.6959 50.60037 -31.96155      60.13511 
1 1 1 -25 15 15 o 417.3914 14.72151 41.50587       2.890449  41.49209       3.220054  41.56304       6.558322  416.6696 16.42866 404.8409 34.77566 11.82877       38.46099 
1 1 1 -25 15 16 o 297.4822 17.19494 21.28015       2.395936  21.44159       2.616996  20.44385       5.956303  297.9945 18.76504 272.5570 48.22124 25.43744       51.74374 
1 1 1 -25 15 17 o 357.2742 22.54007 31.20109       3.768724  34.72057       4.842636  25.79570       6.001445  373.3792 27.77031 310.6074 42.16459 62.77185       50.48804 
1 1 1 -25 15 18 o 216.4368 51.46066 13.62812       5.162589  0.000000       0.000000  13.62812       5.162589  ?        ?        216.4368 51.46066 0.000000       51.46066 
1 1 1 -25 15 19 o 258.9497 25.42251 16.75692       3.056800  18.43341       3.676278  13.00117       5.502443  269.0254 29.53597 205.8643 55.53963 63.16106       62.90488 
1 1 1 -25 15 20 o 94.59698 37.73031 1.661754       2.528179  1.661754       2.528179  0.000000       0.000000  94.59698 37.73031 ?        ?        0.000000       37.73031 
1 1 1 -25 15 21 o 308.6049 20.40924 23.46549       2.946049  25.61838       3.620059  19.24341       5.069538  319.5634 24.26297 260.4662 42.86760 59.09714       49.25772 
1 1 1 -25 15 22 o 234.1639 24.51902 13.93401       2.660754  17.43958       3.468379  8.920296       4.147885  258.5188 29.02237 167.9910 49.28022 90.52782       57.19123 
1 1 1 -25 15 23 o 197.0954 29.65856 10.37131       2.664568  11.79542       3.581153  8.605100       3.988154  202.0927 39.08419 162.7578 48.47261 39.33493       62.26691 
1 1 1 -25 15 24 o 157.3300 52.79420 9.004110       4.608761  12.44649       6.404181  5.306183       6.637632  170.4036 61.86892 128.0034 56.45556 42.40025       83.75555 
1 1 1 -25 15 25 o 163.8504 44.24327 8.911920       3.489961  24.89596       6.990488  3.605343       4.027833  250.1989 60.13953 110.4789 46.23147 139.7200       75.85586 
1 1 1 -25 15 26 o 104.6119 42.47845 3.438804       3.266771  0.3240190      6.209501  4.630808       3.841329  99.21786 47.39643 114.0616 46.15099 -14.84375      66.15387 
1 1 1 -25 15 27 o 202.1165 41.82804 13.97931       3.845766  18.35612       6.864111  11.97681       4.642912  173.7478 63.90388 163.9895 52.89257 9.758331       82.95378 
1 1 1 -25 17 1  f 147.5856 29.25213 5.414934       1.959046  4.241974       5.818248  5.564918       2.080529  149.5349 57.95111 149.3532 30.64112 0.1817169      65.55311 
1 1 1 -25 17 2  o 102.4834 35.12388 2.370208       2.040359  0.1039348E-01  4.596646  2.949249       2.276967  111.2449 48.04902 112.0429 37.09597 -0.7979660     60.70271 
1 1 1 -25 17 3  o 255.7257 21.91244 15.70272       2.610473  13.44289       5.000559  16.54928       3.060620  227.8711 48.15849 261.7451 25.16802 -33.87399      54.33847 
1 1 1 -25 17 4  o 379.1218 18.06843 34.13701       3.222319  26.93482       4.667504  40.69560       4.454078  332.6509 30.15595 412.0736 23.07077 -79.42267      37.96896 
1 1 1 -25 17 5  o 231.3617 24.42684 12.95959       2.618257  9.970436       4.002140  15.19620       3.461885  196.3950 44.36707 248.9889 30.17334 -52.59387      53.65508 
1 1 1 -25 17 6  o 153.0599 35.11540 5.948169       2.474596  5.468124       3.846471  6.287158       3.232320  147.9105 48.17841 156.1961 42.74772 -8.285660      64.40907 
1 1 1 -25 17 7  f 305.4543 21.97219 22.42723       3.136014  22.66396       5.064626  22.28003       3.993733  301.5674 36.44115 302.2844 28.41994 -0.7170105     46.21310 
1 1 1 -25 17 8  o 314.3760 18.31926 23.61637       2.697369  25.95118       3.396399  19.62842       4.438828  328.4516 22.11124 280.9206 34.30295 47.53101       40.81176 
1 1 1 -25 17 9  o 463.2644 14.08289 50.88291       3.068952  51.81074       3.584505  48.33532       5.939625  466.8307 16.32302 445.2363 28.50928 21.59442       32.85149 
1 1 1 -25 17 10 o 408.5051 14.68922 39.61882       2.822705  41.07010       3.255752  35.22593       5.664382  415.3650 16.66296 377.3664 32.21823 37.99860       36.27214 
1 1 1 -25 17 11 o 429.1630 13.10541 43.66925       2.645710  43.12596       2.910465  46.25446       6.348849  426.0969 14.52060 432.5605 31.41615 -6.463654      34.60957 
1 1 1 -25 17 12 o 205.3953 20.84074 10.23716       1.985714  10.23716       1.985714  0.000000       0.000000  205.3953 20.84074 ?        ?        0.000000       20.84074 
1 1 1 -25 17 13 o 493.0398 13.81416 57.76922       3.203877  59.32602       3.517105  50.17836       7.766303  499.1881 14.97793 443.9327 37.54206 55.25543       40.41961 
1 1 1 -25 17 14 o 300.0158 16.45332 21.56601       2.313165  19.51974       2.451812  38.13912       6.977624  284.7235 18.40454 384.4220 39.13162 -99.69852      43.24362 
1 1 1 -25 17 15 o 133.1868 37.59755 4.682131       2.458599  6.703330       2.894245  -0.5570786     4.659761  158.5155 39.06590 104.4620 46.61560 54.05344       60.82071 
1 1 1 -25 17 16 o 333.1140 22.78652 27.12832       3.549151  37.24733       4.511225  10.69130       5.749594  389.2550 24.76594 188.7019 58.61077 200.5530       63.62841 
1 1 1 -25 17 17 o 193.5170 24.81239 9.335146       2.206670  11.01613       2.410877  0.6543716      5.478633  210.4280 24.83433 116.4271 51.32319 94.00094       57.01591 
1 1 1 -25 17 18 o 85.34455 34.25938 1.155058       2.098699  0.7068691      2.263208  3.906095       5.607152  83.04585 34.69495 133.9146 55.15817 -50.86871      65.16259 
1 1 1 -25 17 19 o 113.8884 39.76427 3.357365       2.620852  3.332343       2.985173  3.441518       5.474476  115.1213 42.17245 128.6653 53.87481 -13.54404      68.41791 
1 1 1 -25 17 20 o 99.37987 36.60849 2.363609       2.253894  2.479431       2.494382  1.848346       5.261167  102.2942 38.34901 116.6379 50.88351 -14.34373      63.71639 
1 1 1 -25 17 21 o 65.20642 30.36202 -1.508776      2.267139  -3.677600      2.634352  4.684695       4.451729  60.81393 29.50239 128.9113 50.48699 -68.09734      58.47501 
1 1 1 -25 17 22 o 65.59734 30.94951 -1.995823      2.491564  -1.700105      2.995227  -2.660121      4.489239  74.27808 34.69038 86.84502 41.14470 -12.56693      53.81736 
1 1 1 -25 17 23 o 144.8690 47.75756 6.996596       3.775371  10.19025       6.357441  5.256757       4.692378  156.9024 60.64075 127.3904 51.19561 29.51198       79.36177 
1 1 1 -25 17 24 o 104.6187 43.24956 2.899641       3.464304  7.645660       6.370957  0.9072140      4.127918  135.5148 57.50125 95.60135 43.16638 39.91350       71.90083 
1 1 1 -25 17 25 o 169.6836 43.25449 9.655284       3.462881  2.987515       6.071795  12.86961       4.215721  109.1030 50.41456 191.6348 47.10001 -82.53182      68.99303 
1 1 1 -25 19 1  o 177.4446 28.63365 7.778364       2.308694  11.95601       6.305301  7.131568       2.480985  209.9594 60.52195 168.6756 32.44627 41.28380       68.67072 
1 1 1 -25 19 2  o 254.2280 32.44010 15.95681       3.791061  13.91990       5.230869  18.21046       5.502153  230.2441 49.74929 266.2169 45.57562 -35.97276      67.46947 
1 1 1 -25 19 3  o 106.5455 36.98630 2.568705       2.265885  6.481239       5.050173  1.582556       2.535412  161.1528 55.25839 97.93713 38.17152 63.21570       67.16066 
1 1 1 -25 19 4  o 168.5545 34.80991 7.199206       2.668629  6.384809       4.188621  7.755649       3.462291  157.7105 50.17251 172.8138 42.81163 -15.10330      65.95541 
1 1 1 -25 19 5  o 342.8172 19.79132 28.13091       3.178013  23.67447       4.542913  32.40191       4.447388  310.1758 31.57592 365.7607 26.01838 -55.58490      40.91449 
1 1 1 -25 19 6  o 317.5335 20.47203 24.19380       3.041581  33.98347       4.546103  16.26041       4.092463  374.4323 25.97105 254.9162 35.05629 119.5161       43.62842 
1 1 1 -25 19 7  o 485.0613 19.01168 56.15170       4.337970  52.10172       6.071701  60.37456       6.199940  462.5633 28.03659 498.9310 26.51179 -36.36777      38.58660 
1 1 1 -25 19 8  o 239.1375 23.54297 13.89165       2.614028  13.44338       3.197552  14.79489       4.538905  232.9960 29.86140 239.2408 41.85621 -6.244781      51.41639 
1 1 1 -25 19 9  o 267.6551 19.42879 17.22203       2.429521  17.51916       2.817908  16.36147       4.795588  268.9951 22.47554 251.2942 42.05470 17.70096       47.68383 
1 1 1 -25 19 10 o 366.5091 15.26163 31.94526       2.631207  33.38982       2.994038  27.04519       5.514294  374.2070 17.00889 327.2672 36.43803 46.93976       40.21234 
1 1 1 -25 19 11 o 228.7049 20.84207 12.66785       2.217641  12.66785       2.217641  0.000000       0.000000  228.7049 20.84207 ?        ?        0.000000       20.84207 
1 1 1 -25 19 12 o 219.6302 18.68482 11.63570       1.912072  11.92970       2.037277  9.461951       5.539622  222.1004 19.70447 182.6590 57.65579 39.44136       60.92993 
1 1 1 -25 19 13 o 343.7819 14.50565 28.13206       2.345792  28.84262       2.528659  23.74554       6.282736  347.8170 15.45504 297.7198 46.37122 50.09723       48.87892 
1 1 1 -25 19 14 f 338.7520 15.32086 27.37992       2.441375  27.07508       2.633349  29.24495       6.513515  336.4311 16.63960 332.7540 42.58966 3.677063       45.72478 
1 1 1 -25 19 15 o 351.7148 14.56161 29.50745       2.409181  29.20840       2.566962  31.71819       6.979343  349.5636 15.61076 343.7886 44.17954 5.774994       46.85645 
1 1 1 -25 19 16 o 164.8743 25.53352 6.830266       1.916289  7.918971       2.013199  -3.668252      6.251666  178.1057 24.69360 105.4960 49.54111 72.60964       55.35427 
1 1 1 -25 19 17 o 108.9209 34.72916 3.070742       2.006045  4.036731       2.164809  -2.799781      5.336687  123.0328 35.46185 99.24382 46.33510 23.78894       58.34796 
1 1 1 -25 19 18 o 167.2634 28.73460 7.220837       2.179404  8.480369       2.419281  1.797552       5.020106  181.2037 29.38919 116.6080 50.28974 64.59567       58.24760 
1 1 1 -25 19 19 o 249.2027 23.94712 15.56444       2.772646  18.16794       2.970826  -2.019322      7.720656  269.5685 23.66777 116.8766 54.93969 152.6919       59.82084 
1 1 1 -25 19 20 o 176.2960 35.58699 8.558618       2.849522  12.51486       3.611734  2.035809       4.637580  212.4738 37.50736 112.0323 48.32603 100.4415       61.17358 
1 1 1 -25 19 21 o 163.2860 36.81310 7.574321       2.760067  10.93865       3.400096  1.073836       4.726228  195.9168 38.26613 105.2990 46.97107 90.61774       60.58529 
1 1 1 -25 19 22 o 70.92494 34.26380 -3.711523      3.463772  -3.237218      5.372342  -4.048956      4.531357  90.98206 43.62868 81.24516 39.23463 9.736900       58.67553 
1 1 1 -25 19 23 o 287.3846 29.94469 22.54450       3.988659  27.58026       6.865296  19.97856       4.900604  279.1870 54.22962 254.0105 42.51628 25.17647       68.90926 
1 1 1 -25 21 1  o 252.5783 23.42305 15.42182       2.751308  0.000000       0.000000  15.42182       2.751308  ?        ?        252.5783 23.42305 0.000000       23.42305 
1 1 1 -25 21 2  o 173.3467 30.20571 7.492981       2.373527  7.628436       4.960018  7.452750       2.703118  170.6519 54.63004 171.4917 34.69972 -0.8398132     64.71871 
1 1 1 -25 21 3  o 278.3361 20.61213 18.60806       2.679559  19.50874       5.264090  18.29307       3.113047  276.6181 41.75497 274.8418 24.33015 1.776306       48.32632 
1 1 1 -25 21 4  o 335.7898 20.11570 27.02661       3.162766  37.34420       5.034565  20.30024       4.065025  391.9045 27.48328 287.2039 30.55809 104.7007       41.09900 
1 1 1 -25 21 5  o 460.2514 17.64735 50.44333       3.820708  49.67183       5.103769  51.42688       5.762619  453.7679 23.99576 460.3635 26.72530 -6.595612      35.91710 
1 1 1 -25 21 6  o 92.01115 38.48442 0.6469364      2.789099  8.572477       4.769396  -3.472057      3.438306  178.3462 52.98372 76.88744 36.30086 101.4588       64.22637 
1 1 1 -25 21 7  o 269.1877 22.36700 17.52325       2.806604  17.51587       3.544082  17.53567       4.596213  266.8176 28.68775 262.6158 38.33542 4.201813       47.88102 
1 1 1 -25 21 8  o 124.4306 36.35566 3.950346       2.261514  3.291586       2.663098  5.653984       4.282647  117.2854 40.12790 148.9830 50.88766 -31.69765      64.80588 
1 1 1 -25 21 9  o 237.5678 26.39868 13.86529       2.900228  17.77359       3.608931  6.739002       4.873224  268.1631 29.07524 159.8769 54.28466 108.2862       61.58080 
1 1 1 -25 21 10 o 370.6817 16.82785 32.78016       2.934264  32.78016       2.934264  0.000000       0.000000  370.6817 16.82785 ?        ?        0.000000       16.82785 
1 1 1 -25 21 11 o 348.6529 15.07053 28.94069       2.471674  28.91166       2.644785  29.14091       6.946002  348.1663 16.14858 331.7627 45.72280 16.40359       48.49073 
1 1 1 -25 21 12 o 91.43324 31.06012 1.965348       1.595403  1.669221       1.674225  4.890012       5.261536  87.75254 31.66824 143.9101 55.28921 -56.15754      63.71635 
1 1 1 -25 21 13 o 367.2897 13.77114 32.10450       2.379294  32.23933       2.533047  31.09394       6.934818  367.7798 14.64152 341.5951 44.19337 26.18475       46.55564 
1 1 1 -25 21 14 o 148.5780 26.79208 5.587124       1.803647  5.276570       1.895477  8.561237       5.865821  143.4659 29.08229 170.7395 59.49598 -27.27359      66.22350 
1 1 1 -25 21 15 o 215.9433 28.08346 11.76595       2.785211  11.79846       3.150964  11.64982       5.955994  213.9993 32.30725 194.0843 59.55010 19.91498       67.74934 
1 1 1 -25 21 16 o 160.0453 26.75396 6.517340       1.943089  6.693542       2.067256  5.181332       5.692370  161.5847 28.22443 142.2294 56.65088 19.35527       63.29250 
1 1 1 -25 21 17 o 94.30753 34.22354 2.076247       1.959254  1.762934       2.076700  4.613556       5.909782  91.42845 34.82810 137.3531 56.60698 -45.92467      66.46313 
1 1 1 -25 21 18 o 79.62398 33.64453 0.5872217      2.166543  1.021377       2.300410  -2.820749      6.445114  85.39238 35.26762 105.7569 49.86082 -20.36447      61.07296 
1 1 1 -25 21 19 o 255.8109 23.33575 16.46429       2.777178  21.66727       3.458464  7.018251       4.659956  291.9670 25.43550 148.0550 52.90010 143.9121       58.69741 
1 1 1 -25 21 20 o 118.2693 42.32969 4.008652       2.984932  8.504757       4.003266  -1.620594      4.479415  162.6093 48.59529 90.89443 42.44155 71.71491       64.51966 
1 1 1 -25 21 21 o 204.9716 32.18203 11.54811       3.000746  14.70825       3.871781  6.794601       4.748584  225.9447 37.76097 139.4045 52.77034 86.54019       64.88913 
1 1 1 -25 23 1  o 92.09495 37.94460 0.8436249      2.654520  0.000000       0.000000  0.8436249      2.654520  ?        ?        92.09495 37.94460 0.000000       37.94460 
1 1 1 -25 23 2  o 103.5588 38.62200 2.153764       2.523598  -3.002378      7.411407  2.829976       2.683983  123.6800 56.61797 112.5818 40.15554 11.09820       69.41226 
1 1 1 -25 23 3  o 289.2370 21.62488 20.15261       2.920945  10.10205       4.948631  25.52645       3.618533  193.1747 52.90337 324.9211 23.84119 -131.7464      58.02731 
1 1 1 -25 23 4  o 388.7380 19.10901 36.08369       3.494335  32.72026       4.525042  41.05232       5.499831  366.8279 26.40005 409.9036 28.70436 -43.07568      38.99875 
1 1 1 -25 23 5  o 78.41036 35.11650 -0.9184046     2.669958  4.433659       3.662078  -6.991677      3.901022  135.1290 47.01402 70.97544 34.75164 64.15356       58.46362 
1 1 1 -25 23 6  f 103.9730 41.88229 1.571469       3.148408  -0.6320140     4.209256  4.369798       4.743510  101.0825 44.75060 139.9005 52.79416 -38.81802      69.20867 
1 1 1 -25 23 7  o 369.0019 20.13603 32.73038       3.481987  31.14403       4.250038  35.96909       6.072653  357.6425 25.42808 379.2941 34.41011 -21.65167      42.78601 
1 1 1 -25 23 8  o 344.4627 17.62541 28.41028       2.846386  27.84979       3.191642  30.58859       6.292022  340.1625 20.03458 345.8018 39.38320 -5.639252      44.18620 
1 1 1 -25 23 9  o 211.9973 23.63300 11.00373       2.316665  12.61105       2.535822  2.892093       5.696684  226.9333 24.12473 134.1566 55.46062 92.77670       60.48043 
1 1 1 -25 23 10 o 591.1468 17.13463 83.55254       4.764741  83.55254       4.764741  0.000000       0.000000  591.1468 17.13463 ?        ?        0.000000       17.13463 
1 1 1 -25 23 11 o 397.5048 14.74983 37.65341       2.758027  40.46140       3.014892  23.24911       6.828420  411.7563 15.56547 288.9897 52.14944 122.7666       54.42286 
1 1 1 -25 23 12 o 393.7379 14.39255 36.95662       2.665718  38.54860       2.891485  27.93996       6.881389  401.7806 15.29899 320.3268 47.07209 81.45374       49.49586 
1 1 1 -25 23 13 o 128.6445 29.60525 4.281706       1.754367  2.952864       1.830066  19.35493       6.163581  107.3016 33.02388 260.1212 52.18692 -152.8196      61.75801 
1 1 1 -25 23 14 o 252.6629 26.34030 15.96473       3.084602  22.68133       3.668981  -0.2279429     5.696788  301.6957 26.11017 113.3899 50.99913 188.3058       57.29443 
1 1 1 -25 23 15 f 268.9245 20.56449 17.71680       2.581743  18.31927       2.824363  14.65517       6.366899  272.5857 22.21998 213.2988 60.60526 59.28690       64.55018 
1 1 1 -25 23 16 f 165.3088 29.81977 7.129797       2.233520  8.630925       2.428681  -1.100476      5.686808  182.5448 29.27263 107.1084 49.23865 75.43642       57.28291 
1 1 1 -25 23 17 o 232.3219 24.31149 13.60528       2.617524  12.48640       2.858744  19.40844       6.510548  219.9413 28.28675 244.5412 57.55462 -24.59984      64.13014 
1 1 1 -25 23 18 o 180.8344 38.00417 9.220164       3.130121  8.796607       3.591321  10.55886       6.384683  171.3721 44.24515 169.2167 61.72318 2.155411       75.94330 
1 1 1 -25 23 19 o 342.5094 22.55575 29.57164       3.613781  29.57164       3.613781  0.000000       0.000000  342.5094 22.55575 ?        ?        0.000000       22.55575 
1 1 1 -25 25 1  o 215.0594 27.72594 11.40634       2.739558  18.36802       6.347108  9.812448       3.037022  260.1144 53.65437 196.9545 34.00977 63.15987       63.52523 
1 1 1 -25 25 2  o 117.1584 40.40817 3.255080       2.702438  3.406659       5.945007  3.215601       3.034028  140.7630 57.24818 118.8405 42.66130 21.92242       71.39566 
1 1 1 -25 25 3  o 116.1975 40.34829 3.186090       2.696628  2.718193       5.804146  3.314891       3.045253  135.3403 55.96815 119.8430 42.76985 15.49729       70.43929 
1 1 1 -25 25 4  o 173.8456 36.12718 7.786488       2.857925  3.905641       3.568355  14.72949       4.772858  128.8243 46.26345 236.4166 44.55139 -107.5923      64.22720 
1 1 1 -25 25 5  o 210.3628 34.28661 11.24214       3.275955  5.896757       4.252748  19.04281       5.137435  150.4771 50.71305 270.8491 41.65731 -120.3720      65.62885 
1 1 1 -25 25 6  o 94.09789 38.01993 1.232019       2.603057  1.630079       3.116072  0.3127230      4.735450  103.5393 41.68106 111.2723 48.41375 -7.733032      63.88428 
1 1 1 -25 25 7  o 83.48203 36.17087 -0.2150160E-01 2.621340  -2.006697      3.034605  5.814507       5.203056  77.11832 35.63708 151.4847 55.64892 -74.36641      66.08180 
1 1 1 -25 25 8  o 233.3926 25.08597 13.40968       2.710918  14.45642       3.085156  9.863259       5.678744  241.2932 27.68176 184.7664 58.38108 56.52684       64.61137 
1 1 1 -25 25 9  o 196.6046 31.07408 9.817735       2.778326  9.817735       2.778326  0.000000       0.000000  196.6046 31.07408 ?        ?        0.000000       31.07408 
1 1 1 -25 25 10 o 171.0539 29.05004 7.428787       2.253878  8.118457       2.461797  3.855530       5.603553  178.3893 30.42856 136.8520 55.60995 41.53731       63.39057 
1 1 1 -25 25 11 o 430.5533 14.95750 44.29103       3.029391  45.70780       3.298398  36.65280       7.658616  436.8700 16.05024 367.4613 45.26359 69.40863       48.02502 
1 1 1 -25 25 12 o 114.8074 34.65183 3.453121       2.028115  3.723265       2.166484  1.538645       5.767439  118.8039 35.80459 122.5208 53.36750 -3.716850      64.26553 
1 1 1 -25 25 13 o 181.4262 25.42310 8.289058       2.110113  7.688457       2.258625  12.41082       5.916875  173.0816 28.74982 197.8617 59.06735 -24.78018      65.69250 
1 1 1 -25 25 14 o 185.1561 27.12271 8.746930       2.292286  11.09395       2.535899  -1.738110      5.359925  209.3094 26.33900 102.2827 47.29959 107.0267       54.13866 
1 1 1 -25 25 15 o 101.9254 38.08099 2.464478       2.455549  3.528648       2.789346  -1.200654      5.176567  115.4921 40.96352 101.7557 46.85187 13.73646       62.23430 
1 1 1 -25 25 16 o 361.5602 20.36987 32.26199       3.450368  36.77666       4.027954  19.81867       6.687128  384.2501 22.38134 243.3987 59.01575 140.8514       63.11721 
1 1 1 -25 27 1  o 264.1015 22.28574 16.93527       2.742784  23.08562       6.343480  15.52108       3.041818  294.2018 47.45102 251.2915 26.11414 42.91034       54.16224 
1 1 1 -25 27 2  o 127.1759 39.48613 4.158686       2.609858  4.386519       3.631697  3.915368       3.753088  133.1469 46.79066 129.1994 47.29317 3.947418       66.52827 
1 1 1 -25 27 3  o 429.7260 19.84768 44.36536       4.012091  25.85613       6.301638  56.98260       5.202853  313.4154 43.95135 485.3942 22.78650 -171.9788      49.50703 
1 1 1 -25 27 4  o 182.8586 39.06394 8.803614       3.258112  3.408072       3.942869  20.41915       5.785147  125.3095 47.92867 276.0582 46.18095 -150.7487      66.55702 
1 1 1 -25 27 5  o 202.4265 36.40757 10.63060       3.339333  9.144923       4.209099  13.15398       5.485537  181.7154 48.38168 214.7923 54.27069 -33.07695      72.70554 
1 1 1 -25 27 6  o 116.7978 40.30933 3.361845       2.689440  4.866434       3.159844  -0.5933413     5.123188  135.7779 43.61814 109.0016 48.74271 26.77637       65.40944 
1 1 1 -25 27 7  o 100.3565 38.52770 2.007154       2.553747  1.949482       2.939594  2.184602       5.156317  103.4758 40.86919 123.8374 52.09220 -20.36161      66.21093 
1 1 1 -25 27 8  o 131.0140 37.70113 4.561315       2.448625  6.606794       2.832121  -1.494649      4.873106  156.8936 38.63113 101.4182 46.22851 55.47538       60.24483 
1 1 1 -25 27 9  o 122.5069 39.23914 3.946485       2.558667  3.946485       2.558667  0.000000       0.000000  122.5069 39.23914 ?        ?        0.000000       39.23914 
1 1 1 -25 27 10 o 160.0183 31.96770 6.687619       2.322110  6.160404       2.559215  9.143877       5.523956  151.4694 36.37564 172.9429 57.80001 -21.47354      68.29369 
1 1 1 -25 27 11 o 240.7172 21.46611 14.25716       2.405185  15.23621       2.659193  9.854341       5.639132  248.0837 23.05028 176.9304 58.36908 71.15329       62.75560 
1 1 1 -24 0  1  f 98.50050 59.81067 2.130500       5.157039  2.130500       5.157039  2.130500       5.157039  98.50050 59.81067 98.50050 59.81067 0.000000       0.000000 
1 1 1 -24 0  2  o 314.7374 42.69973 24.65517       5.993645  24.65517       5.993645  24.65517       5.993645  314.7374 42.69973 314.7374 42.69973 0.000000       0.000000 
1 1 1 -24 0  3  o 428.1878 32.71739 43.99525       6.501477  43.99525       6.501477  43.99525       6.501477  428.1878 32.71739 428.1878 32.71739 0.000000       0.000000 
1 1 1 -24 0  4  o 589.7530 29.46583 82.60999       8.127892  82.60999       8.127892  82.60999       8.127892  589.7530 29.46583 589.7530 29.46583 0.000000       0.000000 
1 1 1 -24 0  5  o 141.4268 66.27222 6.956006       4.936668  6.956006       4.936668  6.956006       4.936668  141.4268 66.27222 141.4268 66.27222 0.000000       0.000000 
1 1 1 -24 0  6  o 2085.558 31.73919 1026.755       31.12152  1026.755       31.12152  1026.755       31.12152  2085.558 31.73919 2085.558 31.73919 0.000000       0.000000 
1 1 1 -24 0  7  o 1213.497 23.30454 347.3104       13.29190  347.3104       13.29190  347.3104       13.29190  1213.497 23.30454 1213.497 23.30454 0.000000       0.000000 
1 1 1 -24 0  8  o 156.4273 47.99207 7.200449       3.087399  7.200449       3.087399  7.200449       3.087399  156.4273 47.99207 156.4273 47.99207 0.000000       0.000000 
1 1 1 -24 0  9  o 126.6104 50.80119 5.257926       2.940951  5.257926       2.940951  5.257926       2.940951  126.6104 50.80119 126.6104 50.80119 0.000000       0.000000 
1 1 1 -24 0  10 o 272.8702 28.04066 18.10987       3.512185  18.10987       3.512185  18.10987       3.512185  272.8702 28.04066 272.8702 28.04066 0.000000       0.000000 
1 1 1 -24 0  11 o 1411.612 22.43110 469.9799       14.88634  469.9799       14.88634  469.9799       14.88634  1411.612 22.43110 1411.612 22.43110 0.000000       0.000000 
1 1 1 -24 0  12 o 640.7476 22.66086 97.14626       6.810813  97.14626       6.810813  97.14626       6.810813  640.7476 22.66086 640.7476 22.66086 0.000000       0.000000 
1 1 1 -24 0  13 o 898.2946 24.45955 190.7848       10.31829  190.7848       10.31829  190.7848       10.31829  898.2946 24.45955 898.2946 24.45955 0.000000       0.000000 
1 1 1 -24 0  14 o 127.5880 48.82587 5.249934       2.766012  5.249934       2.766012  5.249934       2.766012  127.5880 48.82587 127.5880 48.82587 0.000000       0.000000 
1 1 1 -24 0  15 o 384.1317 19.24718 35.05141       3.457975  35.05141       3.457975  35.05141       3.457975  384.1317 19.24718 384.1317 19.24718 0.000000       0.000000 
1 1 1 -24 0  16 o 499.5645 17.70774 59.06057       4.149394  59.06057       4.149394  59.06057       4.149394  499.5645 17.70774 499.5645 17.70774 0.000000       0.000000 
1 1 1 -24 0  17 o 373.2540 24.30297 33.35315       4.225607  33.35315       4.225607  33.35315       4.225607  373.2540 24.30297 373.2540 24.30297 0.000000       0.000000 
1 1 1 -24 0  18 o 94.11333 45.97216 3.127127       2.404034  3.127127       2.404034  3.127127       2.404034  94.11333 45.97216 94.11333 45.97216 0.000000       0.000000 
1 1 1 -24 0  19 o 605.3638 17.91807 86.74754       5.092314  86.74754       5.092314  86.74754       5.092314  605.3638 17.91807 605.3638 17.91807 0.000000       0.000000 
1 1 1 -24 0  20 o 714.1046 18.39985 120.7334       6.171535  120.7334       6.171535  120.7334       6.171535  714.1046 18.39985 714.1046 18.39985 0.000000       0.000000 
1 1 1 -24 0  21 o 74.27418 43.42207 1.627887       2.530585  1.627887       2.530585  1.627887       2.530585  74.27418 43.42207 74.27418 43.42207 0.000000       0.000000 
1 1 1 -24 0  22 o 69.03292 48.38956 -5.665874      5.939268  -5.665874      5.939268  -5.665874      5.939268  69.03292 48.38956 69.03292 48.38956 0.000000       0.000000 
1 1 1 -24 0  23 o 79.75017 45.02623 2.106835       2.586190  2.106835       2.586190  2.106835       2.586190  79.75017 45.02623 79.75017 45.02623 0.000000       0.000000 
1 1 1 -24 0  24 f 153.4772 44.67762 6.956864       2.800180  6.956864       2.800180  6.956864       2.800180  153.4772 44.67762 153.4772 44.67762 0.000000       0.000000 
1 1 1 -24 0  25 o 392.1987 24.87284 37.12842       4.546504  37.12842       4.546504  37.12842       4.546504  392.1987 24.87284 392.1987 24.87284 0.000000       0.000000 
1 1 1 -24 0  26 f 270.4645 30.42154 18.23419       3.744519  18.23419       3.744519  18.23419       3.744519  270.4645 30.42154 270.4645 30.42154 0.000000       0.000000 
1 1 1 -24 0  27 f 108.3231 56.36934 4.441142       3.738524  4.441142       3.738524  4.441142       3.738524  108.3231 56.36934 108.3231 56.36934 0.000000       0.000000 
1 1 1 -24 0  28 o 249.8830 32.13750 15.85505       3.606044  15.85505       3.606044  15.85505       3.606044  249.8830 32.13750 249.8830 32.13750 0.000000       0.000000 
1 1 1 -24 0  29 o 126.8976 71.79237 6.703330       6.592856  6.703330       6.592856  6.703330       6.592856  126.8976 71.79237 126.8976 71.79237 0.000000       0.000000 
1 1 1 -24 0  30 f 100.9944 63.54725 2.967301       6.347836  2.967301       6.347836  2.967301       6.347836  100.9944 63.54725 100.9944 63.54725 0.000000       0.000000 
1 1 1 -24 0  31 o 61.83047 44.31471 -7.818074      6.042520  -7.818074      6.042520  -7.818074      6.042520  61.83047 44.31471 61.83047 44.31471 0.000000       0.000000 
1 1 1 -24 2  1  f 279.5070 29.36310 18.69816       3.802977  30.82640       6.460482  12.26718       4.704405  357.8609 39.00983 222.5090 46.44624 135.3519       60.65493 
1 1 1 -24 2  2  o 619.0376 20.20588 90.42587       5.883885  88.16885       8.625689  92.39002       8.046600  610.0573 30.05757 624.8734 27.37481 -14.81610      40.65511 
1 1 1 -24 2  3  o 539.5970 20.49169 68.72036       5.201356  70.33294       7.644929  67.33057       7.097226  544.0080 29.99023 532.5165 28.43545 11.49152       41.32782 
1 1 1 -24 2  4  o 404.8434 23.03222 38.84882       4.368108  48.75149       6.767648  31.77765       5.718831  452.1786 32.02409 364.2743 33.75774 87.90424       46.53093 
1 1 1 -24 2  5  o 789.8452 14.68419 147.0173       5.455835  154.3638       6.999310  135.6421       8.709483  808.8917 18.39482 757.3707 24.44638 51.52100       30.59404 
1 1 1 -24 2  6  o 437.0831 16.98694 45.05690       3.492598  42.49797       4.923534  47.64883       4.955176  423.1120 24.84632 448.2984 23.58043 -25.18640      34.25458 
1 1 1 -24 2  7  o 286.6158 20.57790 19.50343       2.755942  16.34648       4.079201  22.15446       3.738083  259.9326 34.19108 304.7227 26.33690 -44.79016      43.15857 
1 1 1 -24 2  8  o 397.8604 23.84932 37.59464       4.442916  0.000000       0.000000  37.59464       4.442916  ?        ?        397.8604 23.84932 0.000000       23.84932 
1 1 1 -24 2  9  o 317.2602 16.68856 23.81781       2.481844  21.99217       3.210503  26.52894       3.912368  304.0323 22.61007 333.6683 25.11026 -29.63602      33.78965 
1 1 1 -24 2  10 f 355.9280 15.57846 29.89142       2.608291  32.35681       3.583630  27.11415       3.803546  369.2940 20.71276 337.4001 24.12394 31.89383       31.79596 
1 1 1 -24 2  11 o 280.0386 16.94189 18.58951       2.221264  17.12131       2.825718  20.96412       3.593613  267.8641 22.63763 295.9640 26.07857 -28.09991      34.53337 
1 1 1 -24 2  12 o 953.2856 15.22633 214.5660       6.827907  235.6421       11.73803  203.7876       8.394179  995.7376 25.05999 927.9713 19.22978 67.76630       31.58778 
1 1 1 -24 2  13 o 1082.342 15.49203 276.8005       7.887549  283.1340       9.828091  265.3389       13.22121  1093.347 19.10918 1054.967 26.64178 38.37964       32.78635 
1 1 1 -24 2  14 o 505.4477 12.64666 60.30631       3.006916  58.42854       4.017911  62.69688       4.533453  496.7559 17.19444 514.2593 18.74035 -17.50336      25.43323 
1 1 1 -24 2  15 o 757.5864 12.40443 135.5463       4.420570  137.2368       6.079309  133.6495       6.439487  760.9333 16.98393 750.4814 18.24072 10.45197       24.92344 
1 1 1 -24 2  16 o 96.88581 32.32555 2.175248       1.727786  2.538083       2.308302  1.712958       2.605524  106.6850 37.31411 100.2931 38.80479 6.391869       53.83451 
1 1 1 -24 2  17 o 429.9411 14.47437 43.81795       2.927372  38.79576       3.607085  53.50773       5.010333  403.4163 19.00788 472.4917 22.54255 -69.07541      29.48671 
1 1 1 -24 2  18 o 373.4221 15.19874 33.13218       2.669789  33.35315       4.165871  32.97817       3.477882  371.1679 23.98809 370.6691 20.02040 0.4987793      31.24492 
1 1 1 -24 2  19 o 75.11739 30.63988 0.6280168      1.709265  -2.114470      2.418709  3.363969       2.415825  66.46500 31.08482 116.3696 38.19509 -49.90459      49.24562 
1 1 1 -24 2  20 o 443.7936 17.09169 47.15582       3.568087  46.62178       4.013814  49.16766       7.790562  440.1623 19.38542 436.7006 38.31127 3.461731       42.93655 
1 1 1 -24 2  21 o 272.8032 25.38248 18.45211       3.219892  0.000000       0.000000  18.45211       3.219892  ?        ?        272.8032 25.38248 0.000000       25.38248 
1 1 1 -24 2  22 o 282.0293 22.37822 19.59929       2.944469  19.46676       3.265638  20.17539       6.808620  279.4457 25.11092 256.0676 57.88438 23.37808       63.09643 
1 1 1 -24 2  23 o 177.3060 24.45891 7.935112       1.985688  10.94118       2.902365  5.289852       2.722620  204.7426 31.11462 137.5251 39.80677 67.21747       50.52423 
1 1 1 -24 2  24 o 313.3985 17.26330 23.90042       2.535197  21.38838       3.614254  26.33358       3.557051  289.6845 26.82764 324.5156 23.45962 -34.83102      35.63812 
1 1 1 -24 2  25 o 357.1734 16.57379 30.98808       2.784648  29.01768       3.951421  32.93211       3.924887  338.1306 25.02038 362.1868 23.15816 -24.05618      34.09281 
1 1 1 -24 2  26 o 360.9572 16.78048 31.81265       2.849242  33.76111       4.264596  30.24164       3.829330  363.0185 25.12809 345.0228 23.73867 17.99570       34.56799 
1 1 1 -24 2  27 o 169.1701 29.36264 7.768071       2.251875  9.658664       3.417272  6.316977       2.993837  177.6125 41.62712 142.2540 41.90616 35.35841       59.06728 
1 1 1 -24 2  28 o 133.8161 40.60182 5.727248       2.779052  10.54400       6.957295  4.812803       3.031393  147.3676 61.13618 121.4793 42.74487 25.88825       74.59730 
1 1 1 -24 2  29 o 200.5368 53.17268 15.77670       5.097551  6.682521       6.882433  26.82818       7.587009  121.8161 55.29862 236.8209 65.76440 -115.0048      85.92377 
1 1 1 -24 2  30 o 93.20887 43.17565 1.669273       4.493587  4.426279       6.277190  -1.228597      6.435552  106.6564 49.94382 91.21797 44.65711 15.43839       66.99733 
1 1 1 -24 2  31 o 97.00546 46.37987 3.564209       5.972908  3.564209       5.972908  0.000000       0.000000  97.00546 46.37987 ?        ?        0.000000       46.37987 
1 1 1 -24 4  1  o 634.9577 17.98042 95.07421       5.370492  103.6266       9.421621  90.95787       6.536369  661.3196 30.28621 620.6147 22.38954 40.70496       37.66359 
1 1 1 -24 4  2  o 818.2554 19.77835 157.9876       7.612868  150.0595       10.86416  165.6362       10.67089  795.9796 29.01515 836.6401 27.11393 -40.66046      39.71202 
1 1 1 -24 4  3  o 184.8244 43.56314 8.486102       3.725528  7.874555       5.518511  8.998218       5.049993  181.5255 57.57231 190.6459 53.90739 -9.120422      78.87064 
1 1 1 -24 4  4  o 964.8353 23.54830 220.0316       10.68765  220.0316       10.68765  0.000000       0.000000  964.8353 23.54830 ?        ?        0.000000       23.54830 
1 1 1 -24 4  5  o 1338.557 17.06064 422.5644       10.74240  401.4018       12.41949  485.4340       21.40622  1303.886 20.24860 1429.880 31.82519 -125.9945      37.72067 
1 1 1 -24 4  6  o 809.7090 13.96924 154.5022       5.320728  166.4838       7.072898  138.8823       8.075719  839.9997 17.89983 766.5295 22.39665 73.47015       28.67078 
1 1 1 -24 4  7  o 129.5587 34.16360 4.140002       2.111850  9.122254       3.487409  1.255029       2.653755  191.8922 39.93410 97.86545 38.77484 94.02679       55.66167 
1 1 1 -24 4  8  o 502.3530 14.72035 59.50188       3.478535  55.09450       4.779904  64.46409       5.071849  482.7683 21.04801 522.2579 20.64486 -39.48962      29.48269 
1 1 1 -24 4  9  o 1081.442 14.80643 275.8223       7.532215  279.9084       10.13471  270.7803       11.25793  1088.256 19.79752 1069.645 22.37431 18.61133       29.87560 
1 1 1 -24 4  10 o 575.4763 12.84601 78.06889       3.477483  81.16641       4.592136  73.90448       5.324556  586.3309 16.64956 558.9789 20.24970 27.35199       26.21561 
1 1 1 -24 4  11 o 776.9194 16.79703 142.5859       6.138718  142.5859       6.138718  0.000000       0.000000  776.9194 16.79703 ?        ?        0.000000       16.79703 
1 1 1 -24 4  12 o 1044.070 16.25920 257.5820       7.985430  240.5470       11.66608  272.6002       10.95376  1005.932 24.65397 1072.130 21.71934 -66.19739      32.85647 
1 1 1 -24 4  13 o 531.3680 13.63816 66.66127       3.408948  63.44180       4.009471  75.05946       6.475705  517.9319 16.45679 561.4857 24.51766 -43.55371      29.52866 
1 1 1 -24 4  14 o 674.5623 13.72334 107.5069       4.354630  115.8088       5.396041  92.00358       7.373917  699.4520 16.40016 620.7167 25.25431 78.73535       30.11222 
1 1 1 -24 4  15 o 114.3372 33.28051 3.238533       1.898311  3.965580       2.427236  2.093385       3.046223  126.3810 37.85532 109.1980 42.03978 17.18301       56.57180 
1 1 1 -24 4  16 o 93.98689 33.83421 1.856557       1.909639  2.106032       2.271884  1.255945       3.525080  100.9189 36.81777 106.7395 43.82260 -5.820572      57.23608 
1 1 1 -24 4  17 o 914.5711 13.30009 198.0911       5.721913  194.8057       7.780936  201.9599       8.443641  904.1925 18.29370 919.8278 19.51434 -15.63531      26.74825 
1 1 1 -24 4  18 o 176.3431 23.72956 7.626108       1.918451  5.814507       2.807935  9.212084       2.627267  149.2807 39.40774 191.9404 30.08723 -42.65976      49.58036 
1 1 1 -24 4  19 o 436.2149 13.48402 45.19466       2.766872  48.36305       3.984379  42.24373       3.845226  449.1624 18.85767 419.5182 19.48506 29.64420       27.11604 
1 1 1 -24 4  20 o 137.1772 28.35495 4.801988       1.769232  6.895257       2.635685  3.085219       2.386914  162.1353 35.53843 111.7591 37.99137 50.37621       52.02234 
1 1 1 -24 4  21 o 196.4842 25.63139 9.656739       2.312591  11.22473       5.809809  9.361527       2.520909  191.0841 58.84557 191.9563 28.80723 -0.8721313     65.51838 
1 1 1 -24 4  22 f 54.41686 25.74347 -1.808707      1.745100  0.1477167      2.638363  -3.330329      2.326787  83.25937 36.18122 57.90451 28.00088 25.35485       45.75074 
1 1 1 -24 4  23 o 192.2340 22.57992 9.224170       2.002953  7.659703       2.970522  10.52843       2.712269  166.1055 38.73021 201.7052 29.45392 -35.59964      48.65760 
1 1 1 -24 4  24 o 284.4967 18.33557 19.79634       2.440742  21.29269       3.477928  18.34423       3.426116  289.8110 25.78074 267.4487 27.63107 22.36227       37.79051 
1 1 1 -24 4  25 o 84.14205 32.56817 1.473754       1.835858  0.9111832      2.855082  1.870329       2.397138  89.56848 38.26212 93.76231 36.94635 -4.193825      53.18856 
1 1 1 -24 4  26 o 255.4632 22.86831 16.55068       2.719020  16.66469       4.726159  16.49428       3.324256  234.8922 44.39990 249.8931 28.80695 -15.00095      52.92628 
1 1 1 -24 4  27 o 80.47742 35.12408 0.5071356      2.509402  1.699762       7.149221  0.3395532      2.679913  115.1905 53.72969 81.14871 35.82721 34.04183       64.57917 
1 1 1 -24 4  28 o 237.1244 29.29235 15.44984       3.197921  15.76695       7.816236  15.38608       3.504677  169.1873 66.69975 232.3839 32.98660 -63.19666      74.41084 
1 1 1 -24 4  29 o 85.31935 37.75465 1.064340       2.992687  -4.351962      6.934448  2.304024       3.317539  90.52598 44.71271 95.63052 41.05821 -5.104546      60.70422 
1 1 1 -24 4  30 o 83.88577 41.52934 -3.793104      6.108600  -3.793104      6.108600  0.000000       0.000000  83.88577 41.52934 ?        ?        0.000000       41.52934 
1 1 1 -24 4  31 o 98.54122 47.42780 4.351962       6.485977  4.351962       6.485977  0.000000       0.000000  98.54122 47.42780 ?        ?        0.000000       47.42780 
1 1 1 -24 6  1  o 364.8390 23.68479 31.58796       4.042818  24.81570       6.713918  35.44035       5.063781  318.8235 46.10582 385.8726 28.09010 -67.04910      53.98889 
1 1 1 -24 6  2  o 125.8860 52.95085 0.6302022      5.327205  0.6302022      5.327205  0.000000       0.000000  125.8860 52.95085 ?        ?        0.000000       52.95085 
1 1 1 -24 6  3  o 342.4562 39.39845 28.32343       6.231119  28.32343       6.231119  0.000000       0.000000  342.4562 39.39845 ?        ?        0.000000       39.39845 
1 1 1 -24 6  4  o 936.9989 20.44768 207.3150       9.012650  207.3150       9.012650  0.000000       0.000000  936.9989 20.44768 ?        ?        0.000000       20.44768 
1 1 1 -24 6  5  o 650.3972 15.92373 99.74484       4.871836  100.3469       7.059471  99.19740       6.731834  651.4623 23.03634 647.8572 22.08945 3.605042       31.91578 
1 1 1 -24 6  6  o 582.6843 14.34311 80.02904       3.931388  80.59389       5.415170  79.39953       5.716722  584.1756 19.70604 579.6750 20.96492 4.500610       28.77249 
1 1 1 -24 6  7  o 650.3562 15.13193 99.73904       4.629296  93.68713       6.338233  106.6587       6.777441  629.5033 21.40429 671.6629 21.45088 -42.15961      30.30320 
1 1 1 -24 6  8  o 1170.626 33.32143 326.6944       18.34895  326.6944       18.34895  0.000000       0.000000  1170.626 33.32143 ?        ?        0.000000       33.32143 
1 1 1 -24 6  9  o 404.4909 15.02395 38.59856       2.858658  34.95266       3.807142  43.31103       4.328328  383.7691 21.17108 427.2468 21.60654 -43.47769      30.24991 
1 1 1 -24 6  10 o 396.4052 13.97466 37.06656       2.605854  34.09187       3.231947  42.59311       4.405247  379.7935 18.09037 423.4272 22.19405 -43.63364      28.63280 
1 1 1 -24 6  11 o 162.9796 31.20857 6.553747       2.305503  5.240785       3.159775  8.048518       3.371456  145.7237 43.08694 179.0599 40.92061 -33.33624      59.42205 
1 1 1 -24 6  12 o 188.1923 21.71155 8.514180       1.886776  7.975258       2.255625  9.769821       3.442996  180.8951 27.36243 197.8757 38.37405 -16.98068      47.13035 
1 1 1 -24 6  13 o 484.9942 13.02075 55.53461       2.970584  60.18184       3.698780  47.09068       4.985790  504.4649 15.58685 443.9761 23.96162 60.48874       28.58512 
1 1 1 -24 6  14 o 222.2580 20.01311 11.83230       2.069944  11.55424       2.320970  12.91320       4.576055  219.0070 22.86620 224.9948 44.81079 -5.987762      50.30775 
1 1 1 -24 6  15 o 220.5255 19.95414 11.66852       2.047534  12.47637       2.542075  10.17637       3.454859  227.0810 24.16936 200.6867 37.98787 26.39438       45.02484 
1 1 1 -24 6  16 o 407.9734 14.76756 39.45293       2.834065  39.27577       3.391121  39.86326       5.160925  406.3598 17.74039 405.5073 27.21350 0.8524780      32.48532 
1 1 1 -24 6  17 o 115.2332 31.98789 3.357401       1.795336  2.914440       2.273482  4.091285       2.926326  110.5408 37.08008 128.3957 42.03235 -17.85493      56.05043 
1 1 1 -24 6  18 o 262.0621 16.88449 16.44280       2.070351  15.04212       2.739229  18.30908       3.161879  248.4581 23.72557 273.8939 24.81037 -25.43578      34.32866 
1 1 1 -24 6  19 o 109.5218 31.99994 3.056261       1.752072  2.943465       2.485218  3.167720       2.470457  111.0368 38.72432 113.7146 38.65052 -2.677826      54.71230 
1 1 1 -24 6  20 o 205.9982 24.51568 10.50783       2.328965  13.92985       5.798669  9.849643       2.543097  217.4664 56.25859 197.8312 28.11881 19.63522       62.89433 
1 1 1 -24 6  21 o 196.2473 21.87056 9.494655       1.984643  11.38816       2.931082  7.891594       2.696933  210.9409 30.41837 173.0612 34.34051 37.87962       45.87535 
1 1 1 -24 6  22 o 279.3833 17.15115 18.89820       2.243146  18.45266       3.346807  19.26158       3.022499  270.7305 26.62426 278.7870 23.25991 -8.056519      35.35356 
1 1 1 -24 6  23 o 185.8257 33.19763 9.183017       2.795412  11.05691       3.067661  0.9301428E-02  6.787464  204.3789 33.03514 118.5622 54.24107 85.81674       63.50917 
1 1 1 -24 6  24 f 67.69434 29.61708 -0.6361856E-01 1.793910  1.036946       2.834040  -0.7993860     2.317227  91.11230 38.48833 70.69015 32.08875 20.42215       50.11027 
1 1 1 -24 6  25 o 81.36373 32.95848 1.120652       1.961493  1.924795       3.168748  0.6211123      2.497503  100.2208 41.39199 83.13609 35.65706 17.08470       54.63262 
1 1 1 -24 6  26 o 295.5457 19.30218 21.69639       2.668755  21.77792       4.292227  21.64501       3.407482  282.4910 32.91776 289.8468 25.24374 -7.355804      41.48283 
1 1 1 -24 6  27 o 78.59830 34.41859 0.4133447      2.427539  -8.148039      7.078360  1.554523       2.584267  89.79918 44.50104 89.56789 37.21749 0.2312927      58.01279 
1 1 1 -24 6  28 o 82.52389 36.20647 0.7627518      2.697613  4.515458       6.651378  0.2394930E-01  2.951233  118.0576 53.88882 80.10590 36.30419 37.95170       64.97691 
1 1 1 -24 6  29 o 227.9492 31.33043 15.05214       3.270671  11.59929       6.650218  16.15379       3.756369  142.7501 59.54167 229.8344 35.91988 -87.08427      69.53738 
1 1 1 -24 6  30 o 94.03017 45.23949 1.129608       5.887351  1.129608       5.887351  0.000000       0.000000  94.03017 45.23949 ?        ?        0.000000       45.23949 
1 1 1 -24 6  31 o 109.5322 50.79970 8.201547       6.248937  8.201547       6.248937  0.000000       0.000000  109.5322 50.79970 ?        ?        0.000000       50.79970 
1 1 1 -24 8  1  o 194.8645 34.11664 9.284442       3.013348  0.000000       0.000000  9.284442       3.013348  ?        ?        194.8645 34.11664 0.000000       34.11664 
1 1 1 -24 8  2  o 237.2412 30.44019 13.56864       3.318731  18.00238       6.434701  11.96184       3.873692  268.7228 52.78755 220.8349 38.70029 47.88785       65.45409 
1 1 1 -24 8  3  o 559.6205 23.10822 74.05066       6.083164  74.05066       6.083164  0.000000       0.000000  559.6205 23.10822 ?        ?        0.000000       23.10822 
1 1 1 -24 8  4  o 536.9564 20.30886 68.10451       5.129723  73.42818       9.040608  65.57670       6.229656  554.1987 34.85629 526.2961 25.16312 27.90253       42.99004 
1 1 1 -24 8  5  o 751.5954 15.15407 133.1983       5.357754  116.3928       6.654061  164.1796       9.034646  701.9069 20.15292 833.0655 23.05487 -131.1586      30.62135 
1 1 1 -24 8  6  o 745.5760 14.44547 131.0625       5.066325  122.2430       6.331594  146.7598       8.446987  719.4622 18.70836 787.5380 22.80137 -68.07587      29.49416 
1 1 1 -24 8  7  o 135.1422 34.30187 4.525754       2.184363  4.367651       3.276813  4.652201       2.930438  136.6373 44.46607 138.4046 41.62580 -1.767303      60.90926 
1 1 1 -24 8  8  o 516.3547 14.79144 62.89777       3.592758  64.83510       4.776887  60.37456       5.451547  523.6848 19.39125 504.8304 22.95646 18.85434       30.05029 
1 1 1 -24 8  9  o 234.4471 26.24430 13.22025       2.844689  12.61785       2.918963  24.60761       12.69103  228.6823 27.69981 302.1284 85.46732 -73.44604      89.84399 
1 1 1 -24 8  10 o 182.2584 24.17137 8.024019       2.021203  9.826900       2.482750  4.480969       3.480471  201.4628 26.86775 138.4023 45.86546 63.06050       53.15558 
1 1 1 -24 8  11 o 636.6419 15.33407 95.76268       4.592211  99.52438       6.506687  92.02934       6.482117  647.6520 21.35743 622.5868 22.13338 25.06519       30.75753 
1 1 1 -24 8  12 o 147.7842 26.69394 5.370927       1.787417  6.278622       2.097858  2.966620       3.414295  159.5560 29.01979 121.7763 45.02075 37.77975       53.56320 
1 1 1 -24 8  13 o 662.0878 12.57124 103.5172       3.915281  106.7642       4.816112  97.18906       6.723509  671.7599 15.24099 638.7654 22.37615 32.99451       27.07360 
1 1 1 -24 8  14 o 319.7482 15.66699 24.22048       2.356475  22.75973       2.608332  30.70749       5.496640  309.0893 18.01759 354.1494 33.38857 -45.06012      37.93983 
1 1 1 -24 8  15 o 189.6843 25.19852 8.785777       2.192766  9.734258       2.329330  1.401011       6.499579  199.7754 25.35787 136.0255 57.90930 63.74991       63.21794 
1 1 1 -24 8  16 o 305.3302 15.69770 22.19654       2.247001  21.97581       2.755884  22.63429       3.881011  302.8239 19.44933 304.6305 27.37564 -1.806610      33.58127 
1 1 1 -24 8  17 o 515.3343 20.40551 63.65078       4.946589  0.000000       0.000000  63.65078       4.946589  ?        ?        515.3343 20.40551 0.000000       20.40551 
1 1 1 -24 8  18 f 92.59590 33.09559 1.891487       1.824079  3.500932       2.266598  -1.066767      3.072941  117.5724 36.84621 83.09775 37.40780 34.47466       52.50702 
1 1 1 -24 8  19 o 229.1602 22.13071 12.83045       2.355951  12.73187       3.452057  12.91640       3.223326  222.8616 34.00571 225.9530 31.15469 -3.091385      46.11945 
1 1 1 -24 8  20 o 341.4786 15.30823 27.88306       2.458995  28.10266       3.412917  27.64600       3.545988  339.5292 21.47946 336.1446 22.55622 3.384644       31.14724 
1 1 1 -24 8  21 o 50.73240 24.26449 -2.061452      1.637790  -3.757696      2.483023  -0.7551443     2.179011  58.96338 28.61333 69.77500 31.44691 -10.81162      42.51624 
1 1 1 -24 8  22 o 397.1703 21.65861 38.77094       4.031192  38.77094       4.031192  0.000000       0.000000  397.1703 21.65861 ?        ?        0.000000       21.65861 
1 1 1 -24 8  23 o 118.5503 34.03608 3.801093       1.997759  7.684190       3.025035  0.7975625      2.660463  165.6414 39.39754 87.83788 37.20822 77.80350       54.19057 
1 1 1 -24 8  24 o 253.3559 20.45257 15.88839       2.416743  13.63213       3.587645  17.76278       3.269981  224.1697 35.18044 263.4652 26.75595 -39.29546      44.19891 
1 1 1 -24 8  25 o 125.1776 33.34795 4.352261       1.998952  5.030142       3.344714  3.975600       2.493203  129.5299 44.93834 118.2233 38.80188 11.30660       59.37205 
1 1 1 -24 8  26 o 213.6100 29.44363 12.22248       2.879943  14.71463       7.309452  11.76451       3.133406  182.5859 66.12699 206.0143 33.48307 -23.42841      74.12081 
1 1 1 -24 8  28 o 101.7791 39.36018 3.069515       2.679607  3.156956       6.398104  3.050915       2.950873  111.0874 51.47906 102.0978 40.74984 8.989594       65.65549 
1 1 1 -24 8  29 o 119.7290 43.96011 5.347136       3.246243  12.39893       6.882381  3.329370       3.681496  142.2806 60.03404 101.9948 43.50622 40.28574       74.14092 
1 1 1 -24 8  30 o 98.98495 47.33329 3.171819       6.225766  3.171819       6.225766  0.000000       0.000000  98.98495 47.33329 ?        ?        0.000000       47.33329 
1 1 1 -24 10 1  o 1100.120 14.76767 285.3215       7.642254  281.2426       16.31728  286.4676       8.649572  1087.589 31.89436 1101.972 16.68609 -14.38367      35.99550 
1 1 1 -24 10 2  o 467.9549 23.59960 51.94999       5.178174  61.56362       7.928131  44.79786       6.838241  507.4460 33.39995 432.4203 33.88904 75.02570       47.58176 
1 1 1 -24 10 3  f 619.0210 22.61517 90.65213       6.585286  90.65213       6.585286  0.000000       0.000000  619.0210 22.61517 ?        ?        0.000000       22.61517 
1 1 1 -24 10 4  o 417.5561 17.57720 41.15948       3.452501  40.23789       5.402941  41.79548       4.488410  410.7418 28.13300 419.6313 22.82400 -8.889496      36.22707 
1 1 1 -24 10 5  o 635.0620 14.81637 95.12149       4.426160  91.75619       5.951468  99.28658       6.620999  622.9675 20.30904 647.7831 21.72824 -24.81561      29.74178 
1 1 1 -24 10 6  o 732.6394 14.43192 126.6038       4.973748  122.2988       6.343847  133.4721       8.012784  719.3781 18.74676 750.6924 22.69092 -31.31433      29.43329 
1 1 1 -24 10 7  o 436.5115 15.71743 44.97849       3.227353  43.36503       4.275048  47.11653       4.921187  427.9722 21.23519 445.1505 23.58552 -17.17828      31.73657 
1 1 1 -24 10 8  o 281.2132 17.44789 18.76231       2.296671  21.79889       2.926582  13.89417       3.705523  302.7014 20.67677 238.5814 33.97743 64.12004       39.77430 
1 1 1 -24 10 9  o 131.1526 31.74045 4.280636       1.937091  6.213894       2.327846  -0.7220571E-01 3.492978  158.2929 32.35480 98.06187 42.11674 60.23100       53.10982 
1 1 1 -24 10 10 o 144.0309 33.15954 5.179599       2.200152  3.326397       2.890979  7.730209       3.391608  121.5750 41.80183 174.8785 41.79745 -53.30354      59.11362 
1 1 1 -24 10 11 o 362.0410 14.57957 30.97758       2.482972  34.48685       2.965035  22.73962       4.542875  381.7385 16.51181 305.8343 32.05370 75.90421       36.05662 
1 1 1 -24 10 12 o 235.5007 17.89841 13.22614       1.967949  11.25081       2.189722  21.52290       4.487689  216.3308 21.81584 296.7985 32.68522 -80.46767      39.29700 
1 1 1 -24 10 13 o 193.2624 21.30739 9.005329       1.904880  7.866063       2.103884  14.18723       4.486977  179.4440 25.65455 236.5764 41.85051 -57.13246      49.08789 
1 1 1 -24 10 14 o 239.5360 18.87300 13.73783       2.109351  14.25176       2.344519  11.55470       4.832195  243.5852 20.65594 209.3206 49.79878 34.26465       53.91277 
1 1 1 -24 10 15 o 376.1582 16.81711 33.64167       2.975713  34.30878       3.121723  27.00654       9.845119  379.7060 17.47743 306.9158 69.77203 72.79019       71.92773 
1 1 1 -24 10 16 o 243.7230 22.56525 14.39787       2.557701  13.64288       2.708826  20.60345       7.766074  236.4960 24.71446 269.5106 62.47525 -33.01457      67.18603 
1 1 1 -24 10 17 o 403.4928 14.85140 38.72129       2.818853  42.17437       3.446824  31.74791       4.898217  420.2196 17.43707 358.6288 29.29085 61.59073       34.08820 
1 1 1 -24 10 18 o 384.7672 14.73692 35.26218       2.667314  37.81827       3.467299  31.55662       4.174755  397.0116 18.56602 359.0970 24.86745 37.91458       31.03365 
1 1 1 -24 10 19 o 416.3743 23.40966 42.38488       4.566491  0.000000       0.000000  42.38488       4.566491  ?        ?        416.3743 23.40966 0.000000       23.40966 
1 1 1 -24 10 20 o 402.5449 14.94441 38.75364       2.829844  38.97324       3.749869  38.46312       4.312957  401.1430 19.87227 395.8012 23.26714 5.341766       30.59848 
1 1 1 -24 10 21 o 79.19364 31.90426 0.9323459      1.827175  0.5598304      2.469549  1.382933       2.716033  84.39301 35.80420 94.55898 38.60275 -10.16598      52.65085 
1 1 1 -24 10 22 o 176.5856 27.20479 7.974920       2.187237  5.014892       2.869296  12.08086       3.379354  134.0487 41.36641 213.1051 34.92084 -79.05634      54.13543 
1 1 1 -24 10 23 o 217.7034 21.93924 11.79625       2.216133  13.04706       3.237225  10.69304       3.040213  222.7243 31.80139 200.2234 33.45976 22.50092       46.16150 
1 1 1 -24 10 24 o 92.05155 38.69052 1.204361       2.840801  1.409302       3.100765  0.1335910      7.087659  96.13590 40.41543 117.4239 54.33308 -21.28799      67.71625 
1 1 1 -24 10 25 o 250.1557 21.39012 15.70322       2.492854  17.80375       3.942872  14.30443       3.217540  255.4157 33.63483 231.7183 30.23947 23.69739       45.22972 
1 1 1 -24 10 26 o 308.5325 23.07526 24.32316       3.324765  4.146849       6.946681  30.31823       3.786634  124.4218 56.10524 344.0575 23.53799 -219.6357      60.84271 
1 1 1 -24 10 27 o 267.2413 25.64010 18.89708       3.183672  5.585613       6.972503  22.40337       3.578486  124.7313 56.23041 290.0026 26.52559 -165.2712      62.17287 
1 1 1 -24 10 28 o 199.7909 69.29194 22.77051       7.951946  22.77051       7.951946  0.000000       0.000000  199.7909 69.29194 ?        ?        0.000000       69.29194 
1 1 1 -24 10 29 o 300.4494 29.65849 26.08199       4.136991  17.87158       6.920214  30.64804       5.160686  169.4867 63.80927 313.5500 35.62120 -144.0633      73.07867 
1 1 1 -24 10 30 o 155.3095 47.42350 10.33401       3.782582  -2.029132      6.115747  17.99346       4.813756  84.19043 41.65760 206.6941 50.04395 -122.5036      65.11338 
1 1 1 -24 12 1  o 476.7242 14.59282 53.60167       3.272471  52.25922       7.487129  53.91870       3.638412  466.5858 34.35423 477.9799 16.18203 -11.39417      37.97461 
1 1 1 -24 12 2  o 396.5711 22.58953 37.36124       4.196589  37.16340       5.513269  37.63377       6.470814  394.0351 29.96903 395.2580 35.16983 -1.222931      46.20671 
1 1 1 -24 12 3  o 118.4395 48.18842 1.480580       4.214375  1.480580       4.214375  0.000000       0.000000  118.4395 48.18842 ?        ?        0.000000       48.18842 
1 1 1 -24 12 4  o 511.6927 15.79741 61.80795       3.802457  60.26471       5.657229  63.07967       5.135520  504.0884 23.85765 516.1848 21.14998 -12.09631      31.88274 
1 1 1 -24 12 5  o 602.3497 14.89903 85.63299       4.221590  82.20118       5.808039  89.47681       6.146812  589.1605 20.95688 614.6199 21.26052 -25.45947      29.85299 
1 1 1 -24 12 6  o 129.4423 35.64926 4.150142       2.239719  3.179124       3.441926  4.863258       2.949635  124.7458 45.34678 140.5897 41.64452 -15.84388      61.56783 
1 1 1 -24 12 7  o 1096.478 16.62951 284.1923       8.577266  293.6870       11.40878  271.8490       13.00814  1112.652 21.79770 1068.618 25.87755 44.03369       33.83471 
1 1 1 -24 12 8  o 831.6849 13.42697 163.2707       5.252984  153.0134       5.972649  198.3056       11.03831  804.5896 15.78059 912.2513 25.72283 -107.6617      30.17766 
1 1 1 -24 12 9  o 97.27944 33.68715 2.075220       1.879130  2.254778       2.292150  1.707194       3.281555  103.7006 37.09594 108.8543 43.12144 -5.153725      56.88204 
1 1 1 -24 12 10 o 469.8863 15.34434 52.22812       3.391644  50.37401       4.115435  56.15340       5.988029  460.7743 18.98708 483.8462 26.40902 -23.07190      32.52608 
1 1 1 -24 12 11 o 200.5377 20.39551 9.660488       1.897200  8.588387       2.149078  13.44678       4.038701  187.9581 24.92096 231.8143 38.37952 -43.85620      45.76070 
1 1 1 -24 12 12 o 291.0941 15.65833 20.13498       2.136234  19.67235       2.404112  21.87078       4.656826  287.2772 17.87898 298.1067 33.80622 -10.82953      38.24289 
1 1 1 -24 12 13 o 251.0272 17.12520 15.03708       2.010135  13.36578       2.220039  22.64257       4.735832  235.9152 20.19965 302.7482 33.83265 -66.83307      39.40398 
1 1 1 -24 12 14 o 936.9999 17.27633 208.8822       7.614834  208.8822       7.614834  0.000000       0.000000  936.9999 17.27633 ?        ?        0.000000       17.27633 
1 1 1 -24 12 15 o 142.6477 29.05531 5.126838       1.883444  5.070624       2.008057  5.538050       5.431121  141.3219 31.05407 152.6649 56.71365 -11.34297      64.65905 
1 1 1 -24 12 16 o 193.7436 23.82602 9.201888       2.125681  10.05458       2.352647  5.411252       4.960398  202.1385 25.29611 148.3524 54.36032 53.78612       59.95780 
1 1 1 -24 12 17 o 187.6266 25.12929 8.709829       2.162195  9.791553       2.456392  4.987969       4.556375  198.3817 27.02580 141.8873 52.08310 56.49442       58.67746 
1 1 1 -24 12 18 o 122.0397 35.98351 3.883811       2.206517  3.668651       2.559503  4.506488       4.354183  119.8070 39.31406 135.6997 50.70736 -15.89266      64.16254 
1 1 1 -24 12 19 o 167.2764 27.09077 7.071382       2.058801  7.636482       2.532465  5.969967       3.535544  171.5214 32.57874 147.0051 46.01023 24.51624       56.37654 
1 1 1 -24 12 20 o 421.2046 17.11577 42.68631       3.391242  46.43282       4.945369  39.36073       4.659287  433.7712 24.33470 398.7884 24.96323 34.98279       34.86173 
1 1 1 -24 12 21 f 105.7248 34.97298 2.866212       2.023969  3.804681       2.641274  1.531296       3.150144  119.7276 39.96797 100.0251 41.28744 19.70248       57.46383 
1 1 1 -24 12 22 o 205.9695 25.52537 10.72591       2.420130  9.423386       3.054621  12.92212       3.966440  186.6647 36.09330 215.9104 40.54217 -29.24567      54.28070 
1 1 1 -24 12 23 f 142.9333 38.41962 5.763922       2.638789  1.622176       5.679819  6.903966       2.979912  117.0967 51.90474 155.3709 40.39599 -38.27414      65.77187 
1 1 1 -24 12 24 o 242.0860 34.22306 15.92981       3.788609  15.92981       3.788609  0.000000       0.000000  242.0860 34.22306 ?        ?        0.000000       34.22306 
1 1 1 -24 12 25 o 143.4627 38.91127 6.089317       2.692364  -0.6539834     6.140146  7.694469       2.995715  105.4422 49.38174 161.0645 39.77551 -55.62233      63.40857 
1 1 1 -24 12 26 o 228.7013 27.61836 13.96815       2.911063  20.60048       7.053634  12.60660       3.195932  222.3173 63.99202 211.8923 33.15020 10.42499       72.06882 
1 1 1 -24 12 27 o 102.3186 39.43272 3.071844       2.682315  10.40725       6.298471  1.446735       2.964586  147.1190 59.24674 89.52348 38.62740 57.59547       70.72660 
1 1 1 -24 12 28 o 73.51271 35.71131 -3.109394      3.895038  0.000000       0.000000  -3.109394      3.895038  ?        ?        73.51271 35.71131 0.000000       35.71131 
1 1 1 -24 12 29 o 161.5553 52.57060 12.04221       4.580192  0.000000       0.000000  12.04221       4.580192  ?        ?        161.5553 52.57060 0.000000       52.57060 
1 1 1 -24 14 1  o 307.7228 16.84796 22.44287       2.429538  23.31154       6.525999  22.30310       2.617703  306.1919 46.79463 306.5592 18.23478 -0.3672791     50.22195 
1 1 1 -24 14 2  o 87.88094 39.27032 -1.273616      3.319165  -0.4927517     4.606424  -2.116825      4.786785  109.8420 47.77044 103.5247 46.63780 6.317307       66.76151 
1 1 1 -24 14 3  o 671.1353 14.36177 106.3259       4.534062  102.6623       7.638781  108.3187       5.633838  657.1372 24.71148 676.7590 17.69706 -19.62177      30.39478 
1 1 1 -24 14 4  o 460.4641 15.91205 50.10273       3.446601  48.91546       5.188419  51.04043       4.610978  452.9042 24.44391 463.9279 21.12872 -11.02377      32.30987 
1 1 1 -24 14 5  f 65.94145 30.27790 -1.516858      2.141650  -3.274651      3.839530  -0.7229489     2.580357  85.03458 39.56705 79.47246 35.11782 5.562119       52.90381 
1 1 1 -24 14 6  o 283.2847 20.95567 19.14969       2.772689  17.56026       4.182962  20.39536       3.703093  268.0559 33.93326 290.9730 27.37658 -22.91708      43.59980 
1 1 1 -24 14 7  o 705.4069 14.26978 117.5726       4.735067  119.2297       5.918429  114.6255       7.892738  709.4794 17.73362 693.5485 24.19255 15.93091       29.99601 
1 1 1 -24 14 8  o 343.8469 15.98814 27.98137       2.586022  25.72158       3.092648  33.23425       4.715155  328.4814 20.11161 371.6334 27.16004 -43.15198      33.79563 
1 1 1 -24 14 9  o 374.2096 17.05384 33.19061       3.001970  31.21545       3.702614  36.97979       5.128377  361.3732 21.88445 391.5078 28.03197 -30.13455      35.56291 
1 1 1 -24 14 10 f 341.8708 14.97022 27.66919       2.407462  27.55372       2.704847  28.10939       5.281216  340.8578 16.86942 338.6741 33.59311 2.183777       37.59088 
1 1 1 -24 14 11 o 460.0525 12.54939 50.03303       2.715810  49.36493       2.995200  53.12129       6.439671  456.7000 13.94201 467.9076 29.40686 -11.20764      32.54448 
1 1 1 -24 14 12 o 108.8271 30.12013 2.965018       1.594283  2.879836       1.670281  3.837693       5.346166  107.5612 31.19172 141.5351 55.35559 -33.97388      63.53869 
1 1 1 -24 14 13 o 223.2009 18.42408 11.95376       1.917132  13.36491       2.086398  4.300195       4.858950  235.9581 18.95721 141.0079 53.37938 94.95018       56.64568 
1 1 1 -24 14 14 o 385.5099 14.51409 35.28473       2.632053  33.35868       2.880929  45.00970       6.473557  374.3679 16.35929 426.4134 32.51842 -52.04544      36.40157 
1 1 1 -24 14 15 o 251.8531 18.74452 15.26065       2.204803  16.04618       2.361890  9.937575       6.148357  258.0182 19.60654 187.1331 60.90963 70.88516       63.98749 
1 1 1 -24 14 16 o 197.5980 22.85044 9.564929       2.084781  10.62813       2.290941  4.442454       5.028600  208.0679 23.83670 139.8693 53.96713 68.19855       58.99695 
1 1 1 -24 14 17 o 333.2695 17.59393 26.69384       2.748439  29.05563       3.198531  20.02860       5.373264  346.8179 19.68673 274.3094 43.05972 72.50845       47.34666 
1 1 1 -24 14 18 o 218.0697 31.80982 12.14587       3.167013  12.63377       4.042182  11.37024       5.096549  217.0900 41.08751 197.6718 53.50338 19.41820       67.45959 
1 1 1 -24 14 19 o 268.1463 20.25503 17.51369       2.536053  19.14738       2.968141  13.09576       4.881009  279.1831 22.79996 214.1631 49.45019 65.02000       54.45327 
1 1 1 -24 14 20 o 194.8904 31.86776 9.853704       2.820539  10.99584       3.649904  8.160531       4.443995  201.0619 39.99813 166.2181 51.51201 34.84375       65.21761 
1 1 1 -24 14 21 o 269.4323 21.89602 17.91221       2.751128  18.74286       3.392572  16.31689       4.701601  272.5481 26.80848 242.1088 42.85054 30.43927       50.54565 
1 1 1 -24 14 22 o 432.0514 24.04117 46.59140       4.866736  0.000000       0.000000  46.59140       4.866736  ?        ?        432.0514 24.04117 0.000000       24.04117 
1 1 1 -24 14 23 o 201.4333 40.55610 11.57344       3.709919  11.53983       4.257144  11.67955       7.563986  195.1695 46.94360 173.0936 66.34150 22.07591       81.27051 
1 1 1 -24 14 24 f 78.74693 34.31819 0.3054991      2.387697  1.438129       3.553391  -0.6268873     3.224014  98.71458 42.44055 82.75324 37.67448 15.96133       56.75004 
1 1 1 -24 14 25 o 131.9542 52.20881 5.940492       4.804985  3.252081       6.414103  9.378716       7.253627  119.4995 53.89626 148.3134 62.05053 -28.81388      82.18926 
1 1 1 -24 14 26 o 241.0506 29.91601 15.98908       3.319277  6.872771       6.825500  18.81282       3.798716  130.2245 57.35161 259.2522 31.81689 -129.0277      65.58598 
1 1 1 -24 14 27 o 63.68038 31.03372 -3.482528      3.006485  4.791915       5.966053  -6.299050      3.480762  115.1502 51.95302 61.05140 30.41192 54.09881       60.19968 
1 1 1 -24 14 28 o 200.5698 42.58466 13.88809       3.893599  -7.425684      6.006274  29.33710       5.113582  77.52202 38.81834 305.9606 36.23347 -228.4386      53.10111 
1 1 1 -24 16 1  o 292.6295 23.39490 20.49611       3.193467  12.44055       6.330992  23.24522       3.698456  218.2492 59.86591 311.2740 25.48186 -93.02484      65.06345 
1 1 1 -24 16 2  o 417.0826 22.02061 41.45154       4.305057  38.45705       5.832495  45.03568       6.380943  399.0357 31.32398 431.8944 31.62780 -32.85864      44.51415 
1 1 1 -24 16 3  o 275.1847 19.35721 18.04532       2.489785  19.29469       5.246543  17.68218       2.828579  278.5363 41.29326 271.8052 22.31994 6.731049       46.93946 
1 1 1 -24 16 4  o 204.8521 25.50924 10.16554       2.404894  14.54005       4.388265  8.287753       2.875086  241.3374 40.05907 182.3598 34.78540 58.97754       53.05425 
1 1 1 -24 16 5  o 244.5010 23.34591 14.37098       2.652471  16.88343       4.233026  12.74673       3.403527  261.8603 35.26105 227.7181 32.71259 34.14215       48.09839 
1 1 1 -24 16 6  f 94.56639 36.83051 1.416527       2.359061  -5.850220      3.645319  6.652795       3.094400  71.70256 34.76635 161.6927 40.70983 -89.99019      53.53493 
1 1 1 -24 16 7  o 255.1729 21.51750 15.61581       2.558731  15.16329       3.499629  16.13555       3.750575  249.0196 30.51426 256.5975 31.75018 -7.577942      44.03628 
1 1 1 -24 16 8  o 381.7405 15.50165 34.51932       2.783655  34.97109       3.412376  33.62069       4.812676  383.5676 18.91236 372.9242 27.63107 10.64343       33.48363 
1 1 1 -24 16 9  o 174.4857 31.29712 7.588857       2.474439  8.427513       3.152302  6.242569       3.993971  182.0438 38.03738 156.4900 48.88973 25.55377       61.94391 
1 1 1 -24 16 10 o 291.7112 16.26712 20.26101       2.223313  21.52565       2.556891  16.34067       4.501852  300.2562 18.18882 254.5092 38.83253 45.74704       42.88121 
1 1 1 -24 16 11 o 156.0481 23.16795 5.963496       1.649020  6.111676       1.786439  5.109989       4.287434  157.5441 24.93571 145.2076 50.85032 12.33643       56.63519 
1 1 1 -24 16 12 o 247.4210 16.17717 14.61701       1.872452  15.07850       2.017434  11.74792       5.030208  251.0741 17.18492 208.3380 51.59711 42.73608       54.38366 
1 1 1 -24 16 13 o 251.6271 17.65920 15.17765       2.077009  15.17765       2.077009  0.000000       0.000000  251.6271 17.65920 ?        ?        0.000000       17.65920 
1 1 1 -24 16 14 o 598.5670 15.25571 85.26376       4.295508  85.26376       4.295508  0.000000       0.000000  598.5670 15.25571 ?        ?        0.000000       15.25571 
1 1 1 -24 16 15 o 302.7917 17.26520 21.98746       2.448961  21.79301       2.614026  23.38288       7.002623  300.9997 18.55223 290.6326 53.18067 10.36710       56.32378 
1 1 1 -24 16 16 o 505.2631 14.15970 60.76854       3.365434  61.09623       3.789582  59.54559       7.320967  505.8255 15.92653 487.4133 32.11005 18.41220       35.84285 
1 1 1 -24 16 17 o 66.39754 31.78622 -3.457277      2.825095  -2.664388      3.264296  -5.823425      5.639027  76.70644 35.94999 93.75508 44.88959 -17.04864      57.51067 
1 1 1 -24 16 18 o 199.7030 24.30546 9.895078       2.236185  8.880670       2.445648  15.06762       5.522549  187.1698 28.69222 228.5044 52.48333 -41.33456      59.81424 
1 1 1 -24 16 19 o 162.6015 30.61833 6.843871       2.256011  6.029572       2.507248  10.30708       5.170644  150.0676 35.98295 184.7210 55.23359 -34.65340      65.92057 
1 1 1 -24 16 20 o 198.1835 28.26216 10.02652       2.560132  10.84428       2.958361  7.587582       5.109014  204.1882 31.83848 158.4681 55.50816 45.72012       63.99097 
1 1 1 -24 16 21 o 79.59392 35.32758 -0.2742220     2.639585  3.724733       3.394824  -6.387841      4.197524  120.0725 44.79250 73.82228 36.12486 46.25025       57.54454 
1 1 1 -24 16 22 o 173.3609 34.34620 8.173590       2.701876  9.784224       3.462190  5.664783       4.321020  185.1427 40.84903 137.5999 50.68824 47.54282       65.09947 
1 1 1 -24 16 23 f 285.5337 23.13804 20.57595       3.081077  25.02409       4.406186  16.31987       4.310008  307.1832 30.91259 239.2811 39.68170 67.90210       50.30134 
1 1 1 -24 16 24 o 100.7827 41.75134 2.190406       3.238222  4.387634       6.267979  1.390436       3.782046  125.6180 55.14990 98.83121 43.12787 26.78683       70.01089 
1 1 1 -24 16 25 o 117.8309 49.75674 4.250544       4.733648  7.134365       6.649468  1.287456       6.740235  133.8589 57.80359 110.4715 51.73759 23.38737       77.57598 
1 1 1 -24 16 26 o 150.6455 43.77485 7.732214       3.286732  14.61950       6.305305  5.162622       3.851360  174.2805 61.61268 120.3957 47.01242 53.88489       77.50026 
1 1 1 -24 18 1  o 312.4010 29.42963 23.65977       4.273834  25.19620       6.460776  22.46433       5.698895  316.6572 44.61005 300.0079 41.49280 16.64923       60.92380 
1 1 1 -24 18 2  o 99.89344 42.09195 0.5090620      3.375909  -4.721865      4.682470  6.171225       4.871659  90.09882 42.48486 159.5887 54.27551 -69.48993      68.92601 
1 1 1 -24 18 3  o 314.9231 17.97031 23.60682       2.651095  15.66920       4.926607  26.84219       3.145320  248.5730 43.72990 335.4099 20.02658 -86.83694      48.09748 
1 1 1 -24 18 4  o 181.6115 31.32437 8.181085       2.579386  6.473950       4.068750  9.328181       3.335240  159.6880 49.25645 192.1373 38.24639 -32.44930      62.36172 
1 1 1 -24 18 5  o 387.0833 17.75508 35.57228       3.232930  33.15945       4.569508  37.99049       4.574605  370.7747 26.37126 397.6151 24.57854 -26.84030      36.04924 
1 1 1 -24 18 6  o 196.2657 27.48827 9.440841       2.468202  12.95314       3.728239  6.700357       3.293226  227.6421 36.01458 161.3144 42.72203 66.32770       55.87684 
1 1 1 -24 18 7  o 415.5073 16.25827 40.96491       3.177768  41.33567       4.087350  40.39834       5.052680  415.6743 20.97116 408.9149 26.40867 6.759399       33.72250 
1 1 1 -24 18 8  o 105.6186 40.03445 2.121492       2.735398  0.2931548      3.978644  3.760405       3.766908  104.9329 45.00530 130.2633 47.42603 -25.33040      65.38123 
1 1 1 -24 18 9  o 151.0450 29.33074 5.714762       2.008876  5.546141       2.298415  6.260405       4.134528  147.6198 33.82414 155.8606 49.87543 -8.240860      60.26302 
1 1 1 -24 18 10 o 328.9046 15.36903 25.68998       2.377856  26.96599       2.673514  20.85910       5.201978  336.2122 16.95907 286.5411 39.65634 49.67102       43.13045 
1 1 1 -24 18 11 o 291.7472 16.90637 20.33666       2.310260  20.70719       2.537019  18.53746       5.590529  293.9701 18.43978 265.5605 46.44411 28.40967       49.97081 
1 1 1 -24 18 12 o 260.2229 17.57907 16.22992       2.139225  16.22992       2.139225  0.000000       0.000000  260.2229 17.57907 ?        ?        0.000000       17.57907 
1 1 1 -24 18 13 o 352.4852 13.71510 29.50166       2.274097  29.62732       2.434014  28.63853       6.379138  352.9978 14.65824 332.7045 41.67431 20.29330       44.17705 
1 1 1 -24 18 14 o 214.8873 18.17808 11.12958       1.820271  10.96364       1.916749  12.65458       5.810647  212.9295 19.34756 210.0403 57.24507 2.889130       60.42620 
1 1 1 -24 18 15 o 372.9089 13.90376 33.07514       2.438958  35.02027       2.638515  21.65577       6.393024  383.4901 14.62635 280.9421 50.21801 102.5480       52.30468 
1 1 1 -24 18 16 o 270.0547 18.94733 17.62037       2.391721  16.83964       2.547738  23.41558       6.941288  263.2847 20.73912 288.4360 53.11604 -25.15131      57.02127 
1 1 1 -24 18 17 o 230.8786 21.22573 13.02334       2.279423  13.97828       2.505699  8.440900       5.488933  238.6831 22.58565 169.7196 57.61206 68.96350       61.88102 
1 1 1 -24 18 18 o 59.56691 27.92201 -1.744820      1.970625  -2.027601      2.095189  0.4234610      5.801713  60.31164 28.43301 117.4989 52.25261 -57.18724      59.48758 
1 1 1 -24 18 19 o 158.9939 30.99534 6.599757       2.234882  6.344626       2.444616  7.898145       5.514824  154.1066 34.57330 161.1625 57.55191 -7.055923      67.13818 
1 1 1 -24 18 20 o 373.0010 19.47217 33.98081       3.404747  36.80954       3.674786  16.82818       9.049023  387.6956 20.21991 207.0305 73.74390 180.6651       76.46574 
1 1 1 -24 18 21 o 116.3325 41.80888 3.626637       2.914783  3.689061       3.755437  3.532054       4.622616  119.8882 46.53133 122.3790 50.20628 -2.490829      68.45316 
1 1 1 -24 18 22 o 328.3723 21.69230 26.92219       3.331867  34.06847       4.421539  17.53215       5.068356  365.1303 25.91109 241.4631 46.30658 123.6672       53.06302 
1 1 1 -24 18 23 o 243.3994 34.98821 16.50027       3.890838  12.20868       6.350514  19.07937       4.923051  174.2981 61.81016 252.6169 42.96735 -78.31883      75.27741 
1 1 1 -24 18 24 o 91.52340 39.74539 1.197468       3.179458  4.723544       5.732232  -0.3693757     3.821120  122.9429 53.37831 87.87713 40.38441 35.06574       66.93388 
1 1 1 -24 18 25 o 120.2293 42.65346 4.779000       3.024405  8.947682       5.718618  3.160230       3.563562  142.0500 56.71776 105.4096 43.74401 36.64042       71.62711 
1 1 1 -24 20 1  o 212.4233 40.92474 11.48488       3.941056  13.88823       6.417525  10.02973       4.993598  226.7617 59.43934 194.7905 53.05932 31.97116       79.67638 
1 1 1 -24 20 2  f 315.2344 19.14309 23.72711       2.825232  18.44177       5.195011  25.94676       3.366610  269.7899 42.32759 328.9656 21.88049 -59.17572      47.64851 
1 1 1 -24 20 3  o 200.7679 26.57390 9.853852       2.448007  12.02852       5.026999  9.177836       2.802791  213.4953 50.79309 191.9888 32.17286 21.50655       60.12513 
1 1 1 -24 20 4  o 318.4872 23.52805 24.42641       3.499949  13.05052       6.073198  30.08324       4.282634  219.4342 57.96947 352.7549 25.99194 -133.3207      63.52984 
1 1 1 -24 20 5  o 440.3210 21.95702 46.37088       4.547913  43.78716       7.474982  47.88942       5.730616  419.3575 38.31610 444.5852 27.53720 -25.22775      47.18496 
1 1 1 -24 20 6  o 164.3859 45.60615 7.059031       3.650500  7.059031       3.650500  0.000000       0.000000  164.3859 45.60615 ?        ?        0.000000       45.60615 
1 1 1 -24 20 7  o 227.0965 25.28274 12.56749       2.655024  16.45662       3.409798  6.578478       4.231358  259.1269 28.44116 159.1954 50.40480 99.93149       57.87524 
1 1 1 -24 20 8  o 140.7082 40.67857 5.096257       2.844733  5.421986       3.724754  4.640309       4.406838  145.9609 47.40350 141.2365 51.31551 4.724335       69.85966 
1 1 1 -24 20 9  o 334.0083 16.35056 26.53601       2.568972  25.61547       2.871137  30.23187       5.752908  327.0811 18.73879 347.7621 35.67204 -20.68106      40.29438 
1 1 1 -24 20 10 o 456.0542 13.84085 49.33567       2.969263  50.21796       3.291633  45.48158       6.879613  459.7070 15.22162 427.3831 34.51426 32.32391       37.72177 
1 1 1 -24 20 11 o 183.9207 21.26702 8.225715       1.806018  8.148024       1.909884  8.882284       5.552131  182.6223 22.72370 179.4502 57.83606 3.172119       62.13997 
1 1 1 -24 20 12 o 591.7256 13.60960 83.11557       3.788218  83.11557       3.788218  0.000000       0.000000  591.7256 13.60960 ?        ?        0.000000       13.60960 
1 1 1 -24 20 13 o 412.9966 13.20610 40.49133       2.565608  42.67366       2.776264  27.72592       6.714553  423.7604 13.92743 323.9502 45.30184 99.81024       47.39441 
1 1 1 -24 20 14 o 471.4968 12.84578 52.78450       2.849106  54.21323       3.085033  44.50060       7.428495  477.5136 13.73424 416.3645 38.35919 61.14911       40.74380 
1 1 1 -24 20 15 o 331.9036 14.73346 26.26189       2.300308  27.56805       2.437221  15.60642       6.961191  339.8968 15.24328 226.2518 63.05225 113.6450       64.86866 
1 1 1 -24 20 16 o 417.8532 21.12990 42.42125       4.139783  45.65993       4.893971  34.27468       7.761848  431.4149 24.21342 353.2014 47.95693 78.21356       53.72297 
1 1 1 -24 20 17 o 214.0013 21.95454 11.26696       2.178791  11.47076       2.413585  10.36971       5.064261  214.9056 24.30216 186.3092 54.39503 28.59641       59.57696 
1 1 1 -24 20 18 o 369.4221 16.82152 32.86421       2.923193  34.89543       3.420614  27.36376       5.628912  378.8605 19.25692 320.6551 38.06109 58.20538       42.65531 
1 1 1 -24 20 19 o 183.2759 30.78260 8.775925       2.559785  9.441031       2.768208  4.851368       6.724320  189.3618 32.23154 140.6115 59.33582 48.75031       67.52489 
1 1 1 -24 20 20 o 181.0851 31.00303 8.668989       2.545955  8.877065       2.969656  8.091866       4.945729  179.7192 36.37545 158.3465 54.66175 21.37274       65.65882 
1 1 1 -24 20 21 o 222.4466 35.57694 13.60991       3.597296  18.45720       5.126436  8.907703       5.049134  249.0435 45.43347 161.5529 55.25378 87.49060       71.53447 
1 1 1 -24 20 22 o 102.5015 40.82357 2.524841       2.955756  1.362089       3.995212  3.930800       4.393216  100.7793 44.14278 119.4528 48.96814 -18.67346      65.92771 
1 1 1 -24 20 23 o 148.3970 46.36767 7.336635       3.592391  9.753271       6.291783  6.167749       4.375767  151.8099 59.84480 133.1250 50.59303 18.68492       78.36488 
1 1 1 -24 22 1  o 131.0762 47.22226 3.849969       3.720588  1.480678       5.585155  5.740191       4.988641  128.7890 54.19720 154.7264 54.79235 -25.93741      77.06840 
1 1 1 -24 22 2  o 86.43466 35.17810 0.8292400      2.246813  0.3517913      4.295078  1.009115       2.636290  109.0728 46.77028 93.61390 38.10325 15.45887       60.32675 
1 1 1 -24 22 3  o 280.7988 20.46702 18.91439       2.684841  18.32815       5.041956  19.14641       3.171958  268.6828 41.20736 281.4477 24.19372 -12.76486      47.78476 
1 1 1 -24 22 4  o 233.7007 26.69402 13.33447       2.881912  11.01311       4.058438  15.69560       4.093060  206.1809 43.22639 250.4132 35.76328 -44.23225      56.10288 
1 1 1 -24 22 5  o 95.98032 38.26076 1.333999       2.598439  0.3942155      3.650893  2.298752       3.699075  101.4919 43.30917 116.4787 45.89626 -14.98680      63.10429 
1 1 1 -24 22 6  o 445.0347 17.30344 47.12746       3.622394  42.51233       4.391267  56.95601       6.408296  420.5355 22.27763 483.8510 28.27847 -63.31549      35.99950 
1 1 1 -24 22 7  o 76.50937 34.86852 -1.498343      2.770869  -1.214133      3.944291  -1.775268      3.893404  95.04461 42.61587 91.40977 41.53264 3.634834       59.50691 
1 1 1 -24 22 8  o 282.7447 19.35944 19.18826       2.559379  19.94679       2.979698  17.05410       4.998024  287.4050 22.21226 256.7200 42.90147 30.68497       48.31067 
1 1 1 -24 22 9  o 146.5270 31.78854 5.463079       2.128065  5.145445       2.339130  6.988705       5.126420  141.3405 35.28974 163.2087 55.67575 -21.86819      65.91779 
1 1 1 -24 22 10 o 148.7646 27.22575 5.540254       1.835024  7.021799       1.989641  -2.895957      4.747786  168.3335 25.96150 96.18390 44.49246 72.14961       51.51289 
1 1 1 -24 22 11 o 157.5213 26.35748 6.186615       1.884041  6.186615       1.884041  0.000000       0.000000  157.5213 26.35748 ?        ?        0.000000       26.35748 
1 1 1 -24 22 12 o 370.1057 13.98299 32.56107       2.434417  32.69609       2.604782  31.62901       6.843770  370.5949 14.94179 348.0007 42.70277 22.59427       45.24139 
1 1 1 -24 22 13 o 57.72650 27.30895 -2.104991      1.963719  -1.983605      2.063246  -3.272890      6.399837  60.38646 28.39057 110.2376 51.22385 -49.85115      58.56541 
1 1 1 -24 22 14 o 197.0612 21.50463 9.504859       1.961075  9.504859       1.961075  0.000000       0.000000  197.0612 21.50463 ?        ?        0.000000       21.50463 
1 1 1 -24 22 15 o 209.1143 25.29751 10.88003       2.437856  11.43028       2.666863  8.082641       6.013102  213.5408 27.16402 166.3217 60.01691 47.21909       65.87801 
1 1 1 -24 22 16 o 289.3654 17.47966 20.22888       2.368129  20.84312       2.554510  16.47444       6.315578  293.2250 18.61635 232.2023 57.99250 61.02267       60.90729 
1 1 1 -24 22 17 f 103.9875 36.78381 2.659271       2.247711  4.802311       2.454614  -8.469085      5.593500  132.7512 37.59946 84.22877 41.31767 48.52242       55.86474 
1 1 1 -24 22 18 o 128.0386 35.98877 4.483444       2.257748  5.897596       2.445955  -3.659334      5.869304  146.9296 35.73322 99.18520 47.00703 47.74436       59.04679 
1 1 1 -24 22 19 o 137.9467 37.49172 5.343738       2.496498  5.257974       3.018397  5.529451       4.441665  134.7885 42.56039 136.7002 51.18805 -1.911682      66.57029 
1 1 1 -24 22 20 o 145.2715 39.02588 6.107390       2.723645  10.04103       3.534392  0.3560134      4.273694  185.3070 41.56991 98.93290 44.35946 86.37406       60.79325 
1 1 1 -24 22 21 o 154.4139 39.97314 7.101421       2.926172  10.85102       3.771978  1.434344       4.637203  188.7715 43.38717 105.2662 46.76847 83.50529       63.79448 
1 1 1 -24 24 1  o 136.5345 47.87155 4.409220       3.800390  2.541320       5.748919  5.859097       5.064947  135.8479 55.89064 155.3922 55.19034 -19.54434      78.54767 
1 1 1 -24 24 2  o 152.0856 35.17519 5.901576       2.466364  0.2375737      4.158785  8.974370       3.063173  106.4621 45.84373 188.0946 35.93010 -81.63255      58.24620 
1 1 1 -24 24 3  o 104.6745 38.00835 2.334805       2.417088  3.779678       4.306405  1.670274       2.920502  133.5803 50.32747 102.9247 40.70936 30.65562       64.73103 
1 1 1 -24 24 4  o 343.4545 20.62909 28.30894       3.317423  28.81587       4.265269  27.53270       5.277966  344.3068 26.53957 333.0092 34.17766 11.29761       43.27194 
1 1 1 -24 24 5  o 402.9808 18.92956 38.75887       3.588345  37.14983       4.423578  41.85494       6.136143  392.0781 24.10133 412.2197 31.89260 -20.14163      39.97514 
1 1 1 -24 24 6  o 499.8661 16.91107 59.49110       3.976436  55.63659       4.644974  70.06541       7.693518  482.0358 20.48494 534.2771 30.74148 -52.24127      36.94146 
1 1 1 -24 24 7  o 146.9823 44.01683 5.641783       3.281931  5.177176       4.161586  6.406065       5.337564  144.1379 50.11964 158.8509 56.63079 -14.71297      75.62424 
1 1 1 -24 24 8  o 313.1159 18.49129 23.51169       2.711507  22.80821       3.022213  26.41498       6.139636  307.5201 21.01804 320.1038 41.76953 -12.58371      46.75951 
1 1 1 -24 24 9  o 135.0098 32.48754 4.682889       2.038243  5.236851       2.222450  1.750595       5.113231  142.5382 33.68039 123.3233 51.87492 19.21496       61.84962 
1 1 1 -24 24 10 o 200.0029 22.08531 9.762082       2.043164  10.95815       2.199809  2.249703       5.513090  211.9210 22.40673 128.8338 54.01173 83.08716       58.47503 
1 1 1 -24 24 11 o 243.8290 18.01173 14.31817       2.051280  13.65390       2.157940  20.54400       6.606388  237.6065 19.47810 270.8398 53.75085 -33.23326      57.17124 
1 1 1 -24 24 12 o 269.3971 16.73325 17.43097       2.110036  19.51553       2.283616  5.261594       5.517608  284.9734 17.11460 146.6349 56.54351 138.3385       59.07688 
1 1 1 -24 24 13 o 412.4843 13.99287 40.54986       2.715084  40.43589       2.909086  41.31986       7.561490  411.4899 15.02893 395.5148 41.24895 15.97510       43.90153 
1 1 1 -24 24 14 o 65.73676 28.95393 -0.2871401     1.740093  -0.3327672     1.841421  0.9354936E-01  5.318967  67.25529 29.69545 112.2855 49.97741 -45.03024      58.13399 
1 1 1 -24 24 15 o 196.3717 30.43040 9.928906       2.720022  12.66426       3.115017  1.148335       5.581042  222.0736 30.63466 118.3541 51.99859 103.7194       60.35177 
1 1 1 -24 24 16 o 283.3347 19.81866 19.63895       2.624820  20.93763       2.892313  13.57610       6.249316  291.7822 21.21782 203.2226 60.71227 88.55960       64.31310 
1 1 1 -24 24 17 o 89.18021 37.54916 0.9385616      2.683241  0.8385806      3.015064  1.319263       5.883423  92.04672 39.32011 117.9468 52.52494 -25.90008      65.61205 
1 1 1 -24 24 18 o 439.8751 22.93015 48.32663       4.728237  48.32663       4.728237  0.000000       0.000000  439.8751 22.93015 ?        ?        0.000000       22.93015 
1 1 1 -24 26 1  o 320.6075 38.42065 25.96611       5.678973  0.000000       0.000000  25.96611       5.678973  ?        ?        320.6075 38.42065 0.000000       38.42065 
1 1 1 -24 26 2  o 221.0191 25.22586 11.94293       2.575695  11.17850       3.958188  12.50436       3.392139  207.1534 42.05577 223.2127 33.32705 -16.05928      53.65986 
1 1 1 -24 26 3  o 177.7789 31.70297 7.965770       2.554014  6.192830       4.013535  9.172270       3.310881  153.8740 49.12974 188.3947 38.65597 -34.52068      62.51412 
1 1 1 -24 26 4  o 185.9350 31.92427 8.715466       2.691651  8.998330       3.235471  8.079668       4.850729  186.5722 38.15260 172.5846 53.87252 13.98759       66.01416 
1 1 1 -24 26 5  o 184.4481 31.46144 8.578076       2.631813  8.028256       3.068753  10.10702       5.117371  175.7758 38.20447 190.9345 54.36263 -15.15866      66.44453 
1 1 1 -24 26 6  o 209.6780 34.26028 11.17511       3.262468  11.26544       4.164038  11.03151       5.250116  205.7828 44.32589 198.6597 54.52645 7.123047       70.27032 
1 1 1 -24 26 7  o 105.1250 39.08088 2.339691       2.579858  1.240843       2.973671  5.683711       5.187507  98.53463 40.32795 150.8143 55.54107 -52.27962      68.63785 
1 1 1 -24 26 8  o 75.47202 33.24176 -0.3830531     2.293625  -0.7084563     2.548063  1.006540       5.265542  77.26604 34.47591 119.4565 51.51133 -42.19041      61.98392 
1 1 1 -24 26 9  o 122.6373 36.75899 3.896595       2.288106  4.312335       2.528990  2.020809       5.371891  128.4964 38.67497 125.4558 52.99236 3.040588       65.60445 
1 1 1 -24 26 10 o 209.2088 25.30544 10.84620       2.439739  10.84620       2.439739  0.000000       0.000000  209.2088 25.30544 ?        ?        0.000000       25.30544 
1 1 1 -24 26 11 o 172.2477 25.17581 7.410577       1.979662  6.591762       2.119655  13.00238       5.539214  160.7373 29.10518 210.2656 55.27385 -49.52831      62.46847 
1 1 1 -24 26 12 o 256.1719 19.22064 15.93755       2.299276  17.24643       2.481276  7.984542       6.116333  266.2126 19.95952 164.5919 60.35493 101.6207       63.56964 
1 1 1 -24 26 13 o 276.8194 18.48371 18.59416       2.393045  20.77041       2.642036  8.653390       5.646707  292.2211 19.32937 168.0933 58.38546 124.1278       61.50192 
1 1 1 -24 26 14 o 198.9702 31.45180 10.30023       2.845918  10.28206       3.293836  10.35375       5.652621  195.2155 37.22762 180.0496 58.39142 15.16591       69.24921 
1 1 1 -24 26 15 o 70.67065 32.02367 -0.8166512     2.295406  -0.9062628     2.526371  -0.3926873     5.495149  73.70795 33.47669 108.2463 49.24386 -34.53840      59.54533 
1 1 1 -24 28 1  f 96.80270 41.81322 0.1835686      3.481314  0.000000       0.000000  0.1835686      3.481314  ?        ?        96.80270 41.81322 0.000000       41.81322 
1 1 1 -24 28 2  o 204.8985 32.62838 10.62798       3.039411  2.554400       4.983200  15.41076       3.835441  127.1473 52.14103 246.8601 33.92577 -119.7128      62.20647 
1 1 1 -24 28 3  o 87.53764 36.52251 0.6682221      2.503152  5.651213       3.742160  -3.366710      3.367405  146.3872 47.51277 75.66596 35.78515 70.72126       59.48143 
1 1 1 -24 28 4  o 238.6944 25.69751 14.02811       2.839905  11.28054       3.270674  22.44650       5.725030  210.1203 34.27180 292.3245 42.91082 -82.20416      54.91716 
1 1 1 -24 28 5  o 158.6039 36.54922 6.589568       2.670835  4.944275       3.090658  11.44174       5.307589  137.1066 43.03544 200.2227 54.76987 -63.11607      69.65479 
1 1 1 -24 28 6  o 109.4212 41.92669 2.452193       3.020574  -0.4826406     3.813588  7.392985       4.948121  95.81468 42.49823 162.9795 54.70333 -67.16486      69.27160 
1 1 1 -24 28 7  o 353.0563 19.40809 30.09856       3.210891  27.66415       3.681185  37.84186       6.565285  336.4553 23.40471 383.7042 36.82608 -47.24896      43.63417 
1 1 1 -24 28 8  o 182.7722 30.87634 8.540615       2.560068  12.10334       2.990851  -1.224138      4.951473  218.7847 29.83904 103.6494 46.99472 115.1354       55.66751 
1 1 1 -24 28 9  o 175.7384 30.50113 7.921533       2.430015  8.986711       2.721953  3.739596       5.393344  186.6207 32.16793 133.8557 54.49314 52.76498       63.27936 
1 1 1 -23 1  1  o 1110.366 16.37374 290.5108       8.552309  280.6550       11.78696  301.4678       12.42807  1090.408 22.97967 1130.045 23.37969 -39.63721      32.78223 
1 1 1 -23 1  2  o 303.3197 23.57398 21.85246       3.337165  25.72746       5.077000  18.90459       4.428179  327.8066 33.39077 280.3248 34.29636 47.48175       47.86631 
1 1 1 -23 1  3  o 800.2377 14.53216 150.8462       5.470391  147.5470       7.707900  154.1945       7.765020  790.8209 20.71994 808.4753 20.41769 -17.65448      29.08948 
1 1 1 -23 1  4  o 401.1049 17.30017 37.92467       3.264206  38.41466       4.813267  37.50742       4.441661  402.3588 25.56328 397.7897 23.84684 4.569092       34.95931 
1 1 1 -23 1  5  o 136.0501 40.18130 4.476007       2.749345  3.369714       4.346220  5.214031       3.549865  135.5802 50.66132 148.0354 46.06589 -12.45518      68.47361 
1 1 1 -23 1  6  o 200.2467 66.49818 9.371246       7.314820  14.54816       10.64050  4.732462       10.07230  245.2625 80.14316 187.6129 75.14467 57.64958       109.8619 
1 1 1 -23 1  7  o 432.2159 41.33732 44.97949       8.302011  40.69560       10.73056  51.36742       13.10339  406.4123 57.75361 455.7513 62.78727 -49.33896      85.30956 
1 1 1 -23 1  8  o 311.6943 17.00163 22.97995       2.483391  28.67425       3.563806  17.60485       3.462476  347.7035 21.90084 271.2659 27.51530 76.43759       35.16730 
1 1 1 -23 1  9  o 1925.141 20.02591 875.2264       18.13527  900.4299       26.24860  852.2075       25.08523  1948.560 28.63671 1895.939 28.12707 52.62061       40.13967 
1 1 1 -23 1  10 o 431.0388 14.07519 43.79465       2.853907  44.28242       3.811204  43.17201       4.306010  433.0703 18.70831 426.8075 21.51658 6.262787       28.51252 
1 1 1 -23 1  11 o 397.8547 13.97074 37.31849       2.614648  34.98118       3.492966  40.29714       3.943176  384.2885 19.38519 412.8812 20.30260 -28.59268      28.07100 
1 1 1 -23 1  12 o 235.1944 18.37104 13.14916       2.016366  13.28199       2.804157  13.00695       2.901476  235.2005 25.76683 232.4807 27.03649 2.719772       37.34837 
1 1 1 -23 1  13 o 399.5406 13.58547 37.65428       2.553318  38.77918       3.572493  36.47963       3.650650  404.9366 18.75491 392.1243 19.85616 12.81229       27.31325 
1 1 1 -23 1  14 o 402.9583 18.81778 38.43751       3.566956  36.92034       4.911522  40.13080       5.188762  392.7703 26.74245 409.4734 27.09129 -16.70316      38.06700 
1 1 1 -23 1  15 o 581.7568 11.85546 79.84344       3.244361  77.76696       4.396708  82.32572       4.807155  573.3696 16.30135 589.7171 17.32906 -16.34747      23.79140 
1 1 1 -23 1  16 o 862.7081 12.46924 175.7553       5.060263  180.8228       7.258986  170.9647       7.057837  873.2971 17.67033 849.1589 17.66905 24.13818       24.98872 
1 1 1 -23 1  17 o 588.6020 12.35940 81.87051       3.422067  80.15469       4.743481  83.73270       4.941669  581.0773 17.35378 593.7974 17.69156 -12.72015      24.78194 
1 1 1 -23 1  18 o 618.8519 13.99602 90.72857       4.074372  89.84304       5.303770  92.00358       6.364155  614.2379 18.35603 620.0070 21.82101 -5.769104      28.51492 
1 1 1 -23 1  19 o 334.6263 14.83945 26.59138       2.335862  28.96327       3.418030  24.51296       3.199593  346.9577 21.04201 318.9483 21.45049 28.00937       30.04812 
1 1 1 -23 1  20 o 121.6090 31.60917 3.792363       1.824872  3.346256       2.605518  4.221907       2.556693  117.0341 39.69341 127.9689 38.96952 -10.93472      55.62545 
1 1 1 -23 1  21 o 82.12970 32.31396 1.103153       1.831132  3.974367       2.648800  -1.525034      2.534221  124.0744 39.94358 71.49118 32.86676 52.58326       51.72730 
1 1 1 -23 1  22 o 466.1105 17.88140 52.29286       3.920664  53.56719       8.263455  51.92266       4.453893  451.2898 39.31857 462.8294 20.45736 -11.53961      44.32216 
1 1 1 -23 1  23 o 189.5200 30.91131 9.306254       2.660755  9.452543       2.877222  8.442331       6.992080  189.5852 33.48719 164.6042 63.60163 24.98105       71.87878 
1 1 1 -23 1  24 o 179.0441 27.29661 8.221472       2.226269  5.808562       3.292152  10.25463       3.022005  142.0815 44.38671 196.2310 33.96840 -54.14958      55.89304 
1 1 1 -23 1  25 o 119.7659 34.21634 3.919689       2.023712  5.526999       2.971989  2.530166       2.763314  138.3581 41.98928 104.1113 40.05166 34.24680       58.02788 
1 1 1 -23 1  26 o 95.31033 35.89106 2.157522       2.189639  3.537456       3.577289  1.330764       2.768944  116.2514 45.33239 92.05410 38.41025 24.19730       59.41694 
1 1 1 -23 1  27 o 132.8285 35.67968 5.053190       2.276734  4.589499       3.286727  5.480939       3.156780  123.5798 44.39816 133.4949 43.65384 -9.915092      62.26439 
1 1 1 -23 1  28 o 183.6622 29.24971 9.152558       2.442276  10.32469       3.541482  8.089603       3.372510  182.8173 42.05653 159.1662 43.70808 23.65111       60.65599 
1 1 1 -23 1  29 o 76.11689 37.21851 -4.596938      4.429546  -0.4087396     6.360764  -8.540429      6.172143  100.9390 48.14965 80.92965 40.34330 20.00940       62.81697 
1 1 1 -23 1  30 o 163.8537 63.88672 15.93639       7.104197  15.93639       7.104197  0.000000       0.000000  163.8537 63.88672 ?        ?        0.000000       63.88672 
1 1 1 -23 1  31 o 155.2289 53.27433 11.55324       4.694534  14.79489       6.668407  8.368015       6.610124  148.6361 60.56112 118.2906 53.88890 30.34543       81.06579 
1 1 1 -23 3  1  o 785.8201 15.71056 145.4881       5.807430  136.2425       8.190557  154.8354       8.235520  759.7104 22.91902 810.0543 21.61263 -50.34381      31.50218 
1 1 1 -23 3  2  o 385.1824 19.40491 35.07697       3.504702  36.41362       5.412976  34.11221       4.598761  391.1529 29.63867 379.0541 25.94720 12.09882       39.39172 
1 1 1 -23 3  3  o 282.1588 22.96964 18.92060       3.022255  23.67419       5.009310  16.19994       3.789693  314.0638 34.47409 259.6085 31.69024 54.45529       46.82664 
1 1 1 -23 3  4  f 522.2695 15.94843 64.27856       3.918158  60.32434       5.032852  70.36267       6.242840  505.5800 21.16191 545.7316 24.31833 -40.15161      32.23675 
1 1 1 -23 3  5  o 1180.157 18.38344 328.4605       10.20554  323.9587       13.51987  334.4233       15.55981  1170.816 24.54791 1188.770 27.82514 -17.95386      37.10577 
1 1 1 -23 3  6  o 1276.862 27.97851 385.9808       16.80497  426.2783       24.44696  349.8812       23.13860  1337.824 38.84692 1211.327 40.60751 126.4967       56.19655 
1 1 1 -23 3  7  o 676.2112 28.05912 108.3031       8.925358  103.9239       11.16603  116.0523       14.85356  659.9436 36.10539 694.5763 45.71676 -34.63269      58.25480 
1 1 1 -23 3  8  o 497.1299 20.70653 58.36524       4.842241  0.000000       0.000000  58.36524       4.842241  ?        ?        497.1299 20.70653 0.000000       20.70653 
1 1 1 -23 3  9  o 533.5398 13.17064 67.07366       3.305543  63.06178       4.248348  73.22886       5.262191  516.9857 17.46917 556.8216 20.09006 -39.83588      26.62297 
1 1 1 -23 3  10 o 207.2541 21.23030 10.25912       2.040591  8.957994       2.531424  12.67340       3.448259  192.1770 28.89671 228.4461 33.04871 -36.26903      43.90031 
1 1 1 -23 3  11 o 663.5710 12.46967 103.7678       3.892349  105.0723       5.117128  101.9769       5.995968  667.2670 16.30262 656.9091 19.40371 10.35785       25.34323 
1 1 1 -23 3  12 f 99.82278 33.77131 2.220683       1.886003  1.230199       2.366222  3.946028       3.122985  93.42036 36.74052 130.8141 43.45075 -37.39377      56.90197 
1 1 1 -23 3  13 o 304.9959 17.67332 22.06234       2.524736  23.43936       4.025602  21.16952       3.241485  312.5741 27.66416 297.8111 23.32483 14.76297       36.18499 
1 1 1 -23 3  14 o 851.9650 14.15556 171.3656       5.673069  170.7943       6.817772  172.6516       10.22865  849.8203 17.05478 851.5444 25.53534 -1.724121      30.70699 
1 1 1 -23 3  15 o 437.8192 13.04098 45.25734       2.685803  39.94204       3.459808  53.31794       4.260611  410.6125 17.91226 474.1766 19.10128 -63.56412      26.18603 
1 1 1 -23 3  16 o 812.2562 12.48443 155.8239       4.770141  157.9506       6.602723  153.5020       6.899024  816.2598 17.19592 804.2899 18.23500 11.96991       25.06421 
1 1 1 -23 3  17 o 771.5122 31.92593 144.5601       11.58659  0.000000       0.000000  144.5601       11.58659  ?        ?        771.5122 31.92593 0.000000       31.92593 
1 1 1 -23 3  18 f 380.0258 14.28565 34.23113       2.553774  40.46371       3.712475  28.63285       3.518493  411.9118 19.15976 345.1620 21.78200 66.74985       29.00951 
1 1 1 -23 3  19 o 86.40979 32.70379 1.398335       1.823608  2.001189       2.818694  0.9643436      2.391566  104.4566 40.37626 89.21677 36.30010 15.23981       54.29493 
1 1 1 -23 3  20 o 159.1303 26.22459 6.317713       1.894652  6.575093       2.807728  6.102530       2.567273  158.2422 38.16219 152.9909 36.23174 5.251266       52.62215 
1 1 1 -23 3  21 o 278.9635 17.23435 18.71409       2.250501  22.12005       3.397776  16.05204       3.003879  300.2616 24.26344 254.9960 25.37983 45.26559       35.11197 
1 1 1 -23 3  22 o 344.2503 20.04217 28.79317       3.231507  31.06421       7.562054  28.28579       3.574300  332.2601 49.92678 339.7990 22.48858 -7.538879      54.75782 
1 1 1 -23 3  23 o 279.7369 24.55409 19.48037       3.198361  22.23776       3.585175  8.730679       7.078788  298.1497 25.81752 166.0827 64.04453 132.0669       69.05249 
1 1 1 -23 3  24 o 59.68644 27.59031 -1.189160      1.821018  0.2900267      2.823389  -2.242802      2.382899  86.03257 37.40743 63.68908 30.11536 22.34349       48.02344 
1 1 1 -23 3  25 o 192.4005 27.35431 9.546348       2.406004  8.149125       3.599518  10.67479       3.234832  165.6331 45.01950 197.6003 36.13277 -31.96722      57.72636 
1 1 1 -23 3  26 o 178.9101 27.87880 8.375340       2.269820  9.020419       3.517217  7.914939       2.971394  174.1796 43.14981 166.3566 38.70002 7.822968       57.96204 
1 1 1 -23 3  27 o 181.9996 28.18735 8.785106       2.335182  11.15816       3.803528  7.349474       2.958385  191.9179 43.17598 157.3532 39.90828 34.56473       58.79487 
1 1 1 -23 3  28 o 81.27163 35.46404 0.5701551      2.557140  -5.591558      6.905851  1.549242       2.752816  93.92289 46.04006 90.89156 38.13873 3.031326       59.78503 
1 1 1 -23 3  29 o 160.6361 40.96679 8.273668       3.105276  0.3641498E-01  6.313397  10.90238       3.566506  101.7569 48.37942 184.2112 42.08026 -82.45432      64.11954 
1 1 1 -23 3  30 o 139.0383 52.68114 8.673803       4.735369  5.428062       6.461104  12.44055       6.960380  114.8601 52.68441 144.5030 60.64019 -29.64288      80.32982 
1 1 1 -23 3  31 o 103.8028 49.32388 4.283591       6.544217  4.283591       6.544217  0.000000       0.000000  103.8028 49.32388 ?        ?        0.000000       49.32388 
1 1 1 -23 3  32 o 81.86036 40.75435 -2.181332      6.214083  -2.181332      6.214083  0.000000       0.000000  81.86036 40.75435 ?        ?        0.000000       40.75435 
1 1 1 -23 5  1  o 626.6402 15.93886 92.52731       4.698344  82.19382       8.477975  97.10759       5.644367  588.3662 30.73868 641.7424 18.69757 -53.37616      35.97868 
1 1 1 -23 5  2  o 1357.297 16.94814 434.2187       10.82097  412.2047       15.52768  455.0040       15.08811  1320.803 24.99189 1388.143 23.10636 -67.33923      34.03672 
1 1 1 -23 5  3  o 722.7420 17.20259 123.1356       5.848526  130.3484       8.265571  115.9037       8.276567  742.8649 23.65341 700.3054 25.12427 42.55945       34.50671 
1 1 1 -23 5  4  o 852.9485 15.03158 171.4198       6.031105  169.9444       7.687627  173.7812       9.725986  848.7845 19.25420 857.6005 24.10900 -8.815918      30.85399 
1 1 1 -23 5  5  o 1086.073 15.28332 277.9698       7.808109  270.3401       9.480792  294.0547       13.76575  1070.528 18.82683 1114.954 26.24664 -44.42615      32.30070 
1 1 1 -23 5  6  o 1357.646 23.99110 435.7084       15.32166  435.7084       15.32166  0.000000       0.000000  1357.646 23.99110 ?        ?        0.000000       23.99110 
1 1 1 -23 5  7  o 1041.203 18.08766 255.7604       8.859051  236.8609       15.65602  264.6622       10.74470  998.3613 33.33683 1058.486 21.57943 -60.12476      39.71165 
1 1 1 -23 5  8  o 616.2911 14.02152 89.50889       4.064905  87.07808       5.700438  92.02369       5.798092  607.2529 19.95581 624.2855 19.74389 -17.03259      28.07232 
1 1 1 -23 5  9  o 468.8440 13.62815 51.80522       3.005624  53.34848       3.877713  49.48277       4.756969  475.4795 17.33703 457.4619 22.10579 18.01758       28.09339 
1 1 1 -23 5  10 f 1050.505 18.12944 260.5814       8.958843  260.5814       8.958843  0.000000       0.000000  1050.505 18.12944 ?        ?        0.000000       18.12944 
1 1 1 -23 5  11 o 1034.226 18.45229 252.7189       8.977079  253.7456       12.89697  251.7539       12.50320  1033.838 26.51953 1030.027 25.80497 3.810913       37.00245 
1 1 1 -23 5  12 o 209.4320 20.37776 10.47733       1.982136  11.90372       2.423326  7.594040       3.445376  222.8406 23.47082 173.9595 42.47292 48.88110       48.52658 
1 1 1 -23 5  13 o 905.0421 15.10962 193.4198       6.432676  207.9964       10.76698  185.3287       8.021693  935.5252 24.46634 884.8121 19.27284 50.71307       31.14553 
1 1 1 -23 5  14 o 642.9060 12.02037 97.50230       3.635254  104.8678       4.979323  89.09577       5.319580  666.0139 15.89343 613.3459 18.43752 52.66797       24.34221 
1 1 1 -23 5  15 o 215.0894 22.34916 11.12651       2.228238  12.16673       2.511939  7.285970       4.826618  224.6231 24.15254 170.1621 53.82897 54.46100       58.99918 
1 1 1 -23 5  16 o 297.6507 15.50935 21.03718       2.164036  25.43348       2.906802  15.57101       3.241260  326.6176 19.00148 253.1341 27.67105 73.48347       33.56699 
1 1 1 -23 5  17 o 346.8205 15.60316 28.52529       2.545580  29.62899       3.264597  26.81332       4.065856  352.0539 19.79323 332.8268 26.18089 19.22711       32.82090 
1 1 1 -23 5  18 o 366.2089 14.24548 31.79969       2.454005  34.92725       3.446697  28.58426       3.494776  382.0637 19.23943 344.7379 21.66080 37.32587       28.97147 
1 1 1 -23 5  19 o 299.1848 17.02461 21.40856       2.386089  23.17777       3.785256  20.24201       3.073671  307.8561 26.39357 288.9933 22.79505 18.86279       34.87456 
1 1 1 -23 5  20 o 315.3813 15.68864 23.71680       2.327505  23.57270       3.392627  23.84492       3.199071  311.0692 23.35563 313.5504 21.82546 -2.481201      31.96617 
1 1 1 -23 5  21 o 238.9801 22.79027 14.00373       2.530959  7.633770       6.105600  15.32544       2.781166  164.3626 60.29725 249.5594 23.98650 -85.19679      64.89307 
1 1 1 -23 5  22 o 87.92087 32.81133 1.628396       1.821955  3.054597       2.888172  0.6856877      2.348127  113.0244 41.46990 84.24243 35.27975 28.78192       54.44643 
1 1 1 -23 5  23 o 113.6732 32.23716 3.417603       1.803210  2.462528       2.849860  4.055262       2.328624  105.6890 40.66970 122.6084 37.15823 -16.91946      55.08865 
1 1 1 -23 5  24 o 200.6961 22.83182 10.06357       2.117138  11.46953       3.396513  9.170188       2.707471  205.8802 36.40276 186.4188 32.02903 19.46138       48.48731 
1 1 1 -23 5  25 o 330.3672 17.36954 26.58247       2.689845  29.09120       4.195836  24.83207       3.504783  338.0499 26.60058 314.5437 23.86491 23.50623       35.73688 
1 1 1 -23 5  26 o 330.7561 18.40241 26.88155       2.851871  23.20782       4.223341  29.96077       3.866547  296.2099 30.75859 344.1465 24.03512 -47.93655      39.03559 
1 1 1 -23 5  27 o 153.6002 34.97605 6.697836       2.470554  11.37039       4.414148  4.566498       2.981232  185.9405 49.56492 123.1564 42.44338 62.78412       65.25429 
1 1 1 -23 5  28 o 102.3847 39.57599 2.856730       2.708099  6.548752       7.088707  2.225809       2.930367  131.7627 58.21622 97.53294 39.98888 34.22979       70.62747 
1 1 1 -23 5  29 o 234.9982 31.69384 15.67004       3.414187  11.89061       7.243287  16.74960       3.871217  148.7825 62.10586 237.8776 35.69767 -89.09512      71.63422 
1 1 1 -23 5  30 o 90.37456 42.34671 0.4482923      4.525141  -1.705410      6.156792  2.978597       6.673414  91.33617 44.48914 105.6997 50.10301 -14.36356      67.00445 
1 1 1 -23 5  31 f 90.38631 43.99292 0.6611177E-01  5.987525  0.6611177E-01  5.987525  0.000000       0.000000  90.38631 43.99292 ?        ?        0.000000       43.99292 
1 1 1 -23 5  32 o 83.44672 41.02604 -0.2041617     5.613148  -0.2041617     5.613148  0.000000       0.000000  83.44672 41.02604 ?        ?        0.000000       41.02604 
1 1 1 -23 7  1  o 541.5688 14.97481 69.10275       3.814910  66.11178       8.125562  69.94845       4.320713  526.9756 32.94419 544.7471 16.86131 -17.77148      37.00842 
1 1 1 -23 7  2  o 362.9156 19.22115 31.15433       3.269670  35.53142       6.019423  29.32232       3.894263  385.5525 33.52327 351.5218 23.68881 34.03070       41.04838 
1 1 1 -23 7  3  o 698.5322 15.68050 114.9953       5.152471  115.7219       6.918419  114.0904       7.720827  700.1805 21.00524 694.8987 23.61963 5.281738       31.60865 
1 1 1 -23 7  4  o 992.6549 19.63868 232.5155       9.170221  195.1809       12.62173  274.2569       13.34585  907.6071 29.56322 1076.678 26.35062 -169.0714      39.60226 
1 1 1 -23 7  5  o 858.4581 28.84356 174.6136       11.64762  174.6136       11.64762  0.000000       0.000000  858.4581 28.84356 ?        ?        0.000000       28.84356 
1 1 1 -23 7  6  o 1055.523 22.14902 263.2532       10.99744  263.2532       10.99744  0.000000       0.000000  1055.523 22.14902 ?        ?        0.000000       22.14902 
1 1 1 -23 7  7  o 592.4257 15.34387 82.74348       4.276005  83.93213       6.283463  81.71820       5.835701  595.8683 22.41710 588.1264 21.09371 7.741882       30.78102 
1 1 1 -23 7  8  o 407.9753 21.68081 39.45708       4.145883  39.45708       4.145883  0.000000       0.000000  407.9753 21.68081 ?        ?        0.000000       21.68081 
1 1 1 -23 7  9  o 412.5657 13.95162 40.12609       2.707616  39.44653       3.489319  41.15456       4.292580  408.7316 18.14819 416.5380 21.98545 -7.806458      28.50819 
1 1 1 -23 7  10 o 183.9437 22.16701 8.122917       1.879419  6.253952       2.247321  12.47111       3.427827  159.4017 31.08770 226.3482 33.17880 -66.94647      45.46733 
1 1 1 -23 7  11 o 611.1384 12.42078 88.04513       3.570736  92.46069       4.511261  80.63863       5.842669  625.9051 15.32217 583.5880 21.28314 42.31714       26.22481 
1 1 1 -23 7  12 o 674.3786 21.38327 107.7884       6.783396  107.7884       6.783396  0.000000       0.000000  674.3786 21.38327 ?        ?        0.000000       21.38327 
1 1 1 -23 7  13 o 414.7538 13.35255 40.60038       2.605097  43.09577       3.163389  35.34185       4.592138  427.0199 15.74835 384.3799 25.54253 42.63998       30.00719 
1 1 1 -23 7  14 o 483.6752 12.75151 55.22790       2.901248  54.73090       3.579788  56.17918       4.952589  481.0137 15.82088 486.1291 21.65765 -5.115356      26.82078 
1 1 1 -23 7  15 o 202.2447 22.70239 9.870104       2.122522  7.772131       2.335625  19.81867       5.086083  177.6617 28.94392 282.0990 39.40328 -104.4374      48.89140 
1 1 1 -23 7  16 o 87.78987 32.61150 1.484694       1.795746  -0.3947119     2.068999  7.223544       3.615450  72.40617 31.73944 167.0557 44.99933 -94.64952      55.06661 
1 1 1 -23 7  17 o 557.6874 12.72200 73.58921       3.337455  75.78938       4.443722  70.74225       5.054866  564.7390 16.72745 544.5186 19.73457 20.22034       25.87007 
1 1 1 -23 7  18 o 438.5696 13.61027 45.60353       2.807855  43.43333       3.801388  48.20918       4.165335  426.4114 18.95152 448.9573 19.72311 -22.54590      27.35254 
1 1 1 -23 7  19 o 64.34691 28.28092 -0.3205734     1.652214  0.7533150      2.475041  -1.183794      2.219033  88.04478 36.49006 68.57359 31.23324 19.47119       48.03165 
1 1 1 -23 7  20 o 78.62472 31.23897 0.9279278      1.726948  0.4759216      2.995791  1.152886       2.113440  92.08311 39.26134 86.60054 34.51081 5.482574       52.27283 
1 1 1 -23 7  21 o 488.5195 13.84174 56.87944       3.180841  59.22815       4.691356  54.88101       4.327429  494.8713 20.15287 476.9142 19.28947 17.95706       27.89663 
1 1 1 -23 7  22 o 374.7169 15.51714 33.65943       2.735170  29.42287       4.090804  37.08454       3.678236  344.1156 25.45230 390.3723 20.09868 -46.25665      32.43111 
1 1 1 -23 7  23 o 218.9024 21.36517 11.82786       2.171972  13.33197       3.448586  10.83896       2.796248  225.2638 33.57005 205.0065 29.87412 20.25731       44.93786 
1 1 1 -23 7  24 o 100.8763 40.96864 1.889326       3.039238  1.889326       3.039238  0.000000       0.000000  100.8763 40.96864 ?        ?        0.000000       40.96864 
1 1 1 -23 7  25 o 329.6595 17.36520 26.48569       2.683368  19.03791       4.023350  32.45300       3.601336  267.7969 32.61180 361.9217 21.24654 -94.12482      38.92229 
1 1 1 -23 7  26 o 167.2090 29.38243 7.441534       2.226747  9.451282       3.500863  6.076006       2.885723  178.4499 42.34236 143.3583 40.82508 35.09163       58.81805 
1 1 1 -23 7  27 o 79.33450 34.49481 0.4505507      2.400800  8.204519       6.661672  -0.7068682     2.573751  145.0782 59.97486 73.45901 33.52755 71.61922       68.71012 
1 1 1 -23 7  28 o 84.26062 35.75189 1.129969       2.462763  7.815102       6.356733  -0.5067401E-01 2.671397  137.2462 57.79133 77.66089 34.92695 59.58534       67.52577 
1 1 1 -23 7  29 o 271.7831 26.85998 20.05196       3.389040  8.917955       6.636759  23.97938       3.941704  134.5661 57.92934 294.4352 28.82922 -159.8691      64.70650 
1 1 1 -23 7  30 o 132.7623 45.13834 6.782805       3.369449  0.3240191      6.055762  9.678954       4.055121  95.24802 45.83916 153.4745 49.42392 -58.22652      67.40884 
1 1 1 -23 7  31 o 118.4640 52.58210 8.593937       5.848260  8.593937       5.848260  0.000000       0.000000  118.4640 52.58210 ?        ?        0.000000       52.58210 
1 1 1 -23 9  1  o 104.6745 39.80606 1.843792       2.709854  5.451844       5.747365  0.8124110      3.072855  162.6998 58.68101 99.78641 40.93544 62.91335       71.54838 
1 1 1 -23 9  2  o 111.2596 39.62941 2.540678       2.613256  2.108799       5.525431  2.665116       2.965939  137.1036 55.39395 116.0752 42.10995 21.02847       69.58260 
1 1 1 -23 9  3  o 956.0044 15.94235 215.4514       7.169377  201.2560       8.890125  241.8549       12.12452  923.2922 20.46913 1011.100 25.49184 -87.80774      32.69280 
1 1 1 -23 9  4  o 964.6046 15.70596 219.3524       7.126613  201.7415       8.851153  251.8133       12.01679  924.3469 20.35615 1031.748 24.75969 -107.4015      32.05331 
1 1 1 -23 9  5  o 138.8757 50.61300 3.846426       4.291749  3.846426       4.291749  0.000000       0.000000  138.8757 50.61300 ?        ?        0.000000       50.61300 
1 1 1 -23 9  6  o 821.9509 16.01787 159.3303       6.193269  154.8067       8.124219  165.6064       9.569356  809.3576 21.33889 836.5191 24.31854 -27.16150      32.35336 
1 1 1 -23 9  7  o 115.5524 37.31878 3.103385       2.310724  3.733296       3.718699  2.707194       2.949196  133.1310 47.28952 116.1058 42.01085 17.02518       63.25512 
1 1 1 -23 9  8  o 730.5889 12.67971 125.7886       4.357642  119.4411       5.101253  142.9251       8.381758  711.6055 15.23941 777.0302 22.93126 -65.42462      27.53330 
1 1 1 -23 9  9  o 578.1063 13.46483 78.79822       3.661660  81.92978       4.731101  74.12026       5.782417  589.0448 17.07437 559.5497 21.96855 29.49512       27.82357 
1 1 1 -23 9  10 o 645.3732 12.78440 98.20448       3.881152  99.68626       4.835503  95.52130       6.506887  649.7994 15.81951 635.0103 21.78328 14.78912       26.92152 
1 1 1 -23 9  11 o 597.3201 12.64839 84.14743       3.553953  85.56060       4.333544  81.24467       6.210863  601.9338 15.30471 585.1868 22.56254 16.74701       27.26358 
1 1 1 -23 9  12 o 502.0535 19.85861 59.74405       4.689949  62.21760       5.054116  44.41142       12.58325  512.1124 20.98025 412.7219 67.12007 99.39044       70.32265 
1 1 1 -23 9  13 o 267.6080 16.51152 17.01104       2.068373  17.49063       2.331491  15.23876       4.481959  271.0506 18.39470 247.3359 39.87838 23.71474       43.91640 
1 1 1 -23 9  14 o 535.0952 12.82786 67.63534       3.228901  65.93238       3.816674  71.92265       6.055871  527.8211 15.37195 549.0364 23.44802 -21.21527      28.03759 
1 1 1 -23 9  15 o 462.0106 13.71386 50.49276       2.980444  54.72439       3.594917  41.18923       5.330386  480.5081 15.90446 412.8440 27.60667 67.66412       31.86032 
1 1 1 -23 9  16 o 417.4410 17.25908 41.41737       3.389083  41.41737       3.389083  0.000000       0.000000  417.4410 17.25908 ?        ?        0.000000       17.25908 
1 1 1 -23 9  17 o 203.5671 21.61497 10.03849       2.038150  12.81580       2.563656  5.267680       3.360027  229.5317 24.10359 143.3104 44.85360 86.22128       50.91983 
1 1 1 -23 9  18 o 315.8701 16.32438 23.82685       2.417285  22.75523       3.107434  25.46913       3.846833  306.9047 21.66342 323.1650 25.51267 -16.26031      33.46939 
1 1 1 -23 9  19 o 113.0384 33.01011 3.262931       1.864871  1.064647       2.444009  6.326551       2.885216  90.24274 36.70430 154.5591 39.52735 -64.31633      53.94087 
1 1 1 -23 9  20 f 270.2152 23.86935 17.92566       3.002833  0.000000       0.000000  17.92566       3.002833  ?        ?        270.2152 23.86935 0.000000       23.86935 
1 1 1 -23 9  21 o 149.7505 28.06494 5.731110       1.904337  7.910929       2.889641  4.057546       2.531947  172.3809 36.75809 123.8615 38.96387 48.51945       53.56623 
1 1 1 -23 9  22 o 112.0888 33.59888 3.301163       1.911572  0.9263562      2.997458  4.929072       2.481727  93.88562 39.61692 134.7290 37.68328 -40.84340      54.67660 
1 1 1 -23 9  23 o 270.0507 19.98976 17.86444       2.521308  19.15826       3.701878  16.74495       3.443466  273.7526 29.19765 255.8238 29.13413 17.92873       41.24682 
1 1 1 -23 9  24 o 307.6768 17.86131 23.05821       2.573974  24.99753       3.924085  21.59365       3.410092  313.7943 26.84256 292.9634 24.98353 20.83081       36.67015 
1 1 1 -23 9  25 o 63.13584 28.88204 -0.9028070     1.923989  -0.3624108E-01 3.207818  -1.389695      2.404493  87.16052 38.80188 68.12837 31.56685 19.03215       50.02052 
1 1 1 -23 9  26 o 335.8588 28.12307 29.45114       4.402230  29.45114       4.402230  0.000000       0.000000  335.8588 28.12307 ?        ?        0.000000       28.12307 
1 1 1 -23 9  27 o 364.3876 21.07566 33.45969       3.597126  37.93104       8.141924  32.37526       4.009674  334.9099 53.47998 354.7330 24.17322 -19.82306      58.68946 
1 1 1 -23 9  28 f 316.7696 26.63124 26.76063       3.931474  0.000000       0.000000  26.76063       3.931474  ?        ?        316.7696 26.63124 0.000000       26.63124 
1 1 1 -23 9  29 o 143.4145 42.38571 7.061286       3.058351  11.37039       6.594278  5.880386       3.452074  144.8961 59.76493 126.4439 45.49341 18.45216       75.10990 
1 1 1 -23 9  30 o 107.7102 44.51323 4.417465       3.667994  0.6034483      6.351675  6.325803       4.492879  95.35862 46.15034 118.4721 49.13742 -23.11349      67.41172 
1 1 1 -23 9  31 o 120.8025 52.55202 9.298455       5.577861  9.298455       5.577861  0.000000       0.000000  120.8025 52.55202 ?        ?        0.000000       52.55202 
1 1 1 -23 11 1  o 314.2618 20.16622 23.41583       2.965423  35.61237       6.917246  20.66959       3.282343  384.4356 38.78070 294.6730 23.88511 89.76254       45.54603 
1 1 1 -23 11 2  o 1436.937 30.54909 490.1903       20.64930  0.000000       0.000000  490.1903       20.64930  ?        ?        1436.937 30.54909 0.000000       30.54909 
1 1 1 -23 11 3  o 323.0622 19.48875 24.73346       2.947823  21.44327       5.278400  26.22474       3.553627  297.2651 38.66270 332.2357 22.87765 -34.97055      44.92429 
1 1 1 -23 11 4  o 488.5578 16.90461 56.31487       3.884994  57.32753       6.085732  55.61832       5.047260  491.1330 26.43910 484.9901 22.12349 6.142914       34.47426 
1 1 1 -23 11 5  o 900.3226 21.14691 191.6320       8.956005  191.6320       8.956005  0.000000       0.000000  900.3226 21.14691 ?        ?        0.000000       21.14691 
1 1 1 -23 11 6  o 761.1607 15.47875 136.6702       5.542191  133.2860       7.367307  141.0821       8.411825  750.7752 20.86073 771.9395 23.16529 -21.16425      31.17372 
1 1 1 -23 11 7  o 430.9845 16.08968 43.83932       3.261957  45.69394       4.570788  41.91439       4.656618  438.7691 22.21795 419.9215 23.67052 18.84760       32.46430 
1 1 1 -23 11 8  o 944.0462 13.12595 210.1464       5.828991  203.9978       6.706768  229.1320       11.78526  929.7055 15.33552 982.3393 25.50401 -52.63379      29.75959 
1 1 1 -23 11 9  f 269.0631 17.25187 17.17907       2.172027  16.89222       2.581366  17.87456       4.019495  266.2686 20.77352 271.6227 32.07745 -5.354156      38.21651 
1 1 1 -23 11 10 o 380.6899 14.19438 34.21194       2.541893  33.38499       3.035954  36.15079       4.648672  375.7412 17.17660 388.9267 25.55141 -13.18555      30.78815 
1 1 1 -23 11 11 o 347.2319 17.69555 28.61398       2.880781  31.48038       3.715062  24.29107       4.562314  363.4297 21.83207 316.8192 31.01049 46.61050       37.92479 
1 1 1 -23 11 12 o 832.3370 13.30184 163.6184       5.208113  169.3976       6.419936  152.4940       8.907136  846.0884 16.13042 799.9785 23.66957 46.10992       28.64331 
1 1 1 -23 11 13 o 162.5539 23.66342 6.433481       1.756339  5.974474       1.913794  8.883650       4.421644  155.7300 27.10969 185.0541 49.72911 -29.32404      56.63850 
1 1 1 -23 11 14 o 313.4744 15.82751 23.34702       2.326363  24.41001       2.636435  19.60854       4.944242  320.1796 17.57186 280.2089 38.52954 39.97073       42.34732 
1 1 1 -23 11 15 o 482.2109 15.08629 55.12619       3.422069  57.69312       3.641165  35.70155       10.01637  493.1495 15.69613 363.7990 60.66661 129.3505       62.66423 
1 1 1 -23 11 16 f 387.9908 16.10785 35.77586       2.939871  36.24940       3.214371  33.35315       7.270524  390.1836 17.51288 360.9543 43.71082 29.22925       47.08861 
1 1 1 -23 11 17 o 342.1599 16.10134 27.86670       2.591555  32.24304       3.190627  19.38151       4.442741  366.8920 18.54728 277.5931 34.78698 89.29886       39.42252 
1 1 1 -23 11 18 o 292.2635 17.48808 20.48721       2.393245  22.04827       3.100366  18.18556       3.764646  301.5620 22.00778 270.1731 30.13535 31.38885       37.31597 
1 1 1 -23 11 19 o 303.1992 22.30917 22.38750       3.159508  22.64566       5.279965  22.24350       3.943466  295.0667 38.99550 299.1203 28.36524 -4.053680      48.22070 
1 1 1 -23 11 20 o 185.5623 26.40558 8.630492       2.239895  7.135911       2.806212  11.25446       3.718262  163.7165 37.27404 205.1214 39.97210 -41.40492      54.65458 
1 1 1 -23 11 21 o 220.5291 23.57691 12.04423       2.407909  11.06718       3.912281  12.64005       3.055114  200.4488 42.79354 222.7052 29.91950 -22.25641      52.21555 
1 1 1 -23 11 22 o 148.3940 30.99174 5.769364       2.093568  6.411070       3.181394  5.279212       2.780450  151.0346 42.81502 138.3377 40.28086 12.69691       58.78498 
1 1 1 -23 11 23 o 94.75608 34.95621 2.065460       2.056178  1.797978       3.170823  2.259561       2.701085  101.7045 41.63641 102.0159 39.49923 -0.3113556     57.39146 
1 1 1 -23 11 24 o 98.26289 35.14768 2.393188       2.057665  2.680707       3.200331  2.190571       2.686579  108.4209 42.70008 100.2813 39.23545 8.139565       57.98894 
1 1 1 -23 11 25 o 109.3334 42.06744 3.026158       3.048852  2.032611       3.370232  7.502973       7.154019  102.6840 42.57093 147.9919 61.74430 -45.30787      74.99762 
1 1 1 -23 11 26 o 84.26310 35.94493 0.8553936      2.513311  -6.016647      6.613678  2.015313       2.717153  93.51532 45.67321 96.27240 38.86328 -2.757080      59.96996 
1 1 1 -23 11 27 o 210.8622 64.88900 19.16469       7.065885  19.16469       7.065885  0.000000       0.000000  210.8622 64.88900 ?        ?        0.000000       64.88900 
1 1 1 -23 11 28 o 63.41367 30.38849 -2.341398      2.596717  6.524971       6.313412  -4.146717      2.848841  126.0335 55.34045 59.93811 29.41920 66.09542       62.67419 
1 1 1 -23 11 29 f 269.8075 30.61308 20.94181       3.816576  14.45303       6.668767  24.10226       4.654134  158.3073 61.84982 280.0179 36.17936 -121.7106      71.65435 
1 1 1 -23 11 30 o 58.68524 29.30131 -5.697093      3.310703  -2.058561      5.614419  -7.636743      4.099241  84.36344 41.38598 62.16359 31.25425 22.19985       51.86162 
1 1 1 -23 13 1  o 914.0167 15.29387 197.0495       6.575683  177.7646       12.18547  204.9726       7.810524  864.6825 29.95823 931.7410 17.82033 -67.05853      34.85771 
1 1 1 -23 13 2  o 593.0967 15.70091 82.98859       4.380459  79.71760       6.769515  85.34483       5.745491  579.9662 24.81336 600.8373 20.32829 -20.87115      32.07713 
1 1 1 -23 13 3  o 371.5008 17.98674 32.59639       3.143269  37.81828       5.758774  30.38050       3.751362  397.3543 31.05626 357.5518 22.41726 39.80246       38.30177 
1 1 1 -23 13 4  o 738.0817 22.67510 129.0229       7.872684  129.0229       7.872684  0.000000       0.000000  738.0817 22.67510 ?        ?        0.000000       22.67510 
1 1 1 -23 13 5  o 351.3903 30.15623 29.63007       4.936369  29.63007       4.936369  0.000000       0.000000  351.3903 30.15623 ?        ?        0.000000       30.15623 
1 1 1 -23 13 6  o 782.1193 15.30155 144.3972       5.629602  143.2901       7.592416  145.7491       8.390141  777.9367 20.74753 784.0584 22.74844 -6.121704      30.78882 
1 1 1 -23 13 7  o 608.7762 14.99058 87.49600       4.292848  78.12821       5.316114  105.0535       7.277920  574.4863 19.67185 665.3120 23.25480 -90.82562      30.45928 
1 1 1 -23 13 8  o 232.0198 20.06614 12.84814       2.168512  13.89983       2.657418  10.75208       3.751620  240.7199 23.77897 207.5734 39.87093 33.14647       46.42338 
1 1 1 -23 13 9  o 275.7080 16.77618 18.04570       2.165417  17.62535       2.493053  19.33710       4.369741  272.0021 19.61617 281.6719 33.64527 -9.669769      38.94610 
1 1 1 -23 13 10 o 537.3848 12.23007 68.15026       3.091603  69.71643       3.518232  62.84186       6.477204  543.2815 13.76671 512.0468 26.98639 31.23474       30.29501 
1 1 1 -23 13 11 o 375.7273 15.85157 33.41268       2.801654  32.79226       3.197433  35.46374       5.813629  371.8391 18.28004 381.9447 32.67212 -10.10562      37.43831 
1 1 1 -23 13 12 o 425.2313 13.41611 42.74421       2.683620  40.46235       2.948464  53.76142       6.478689  413.4378 15.16060 471.5860 29.35050 -58.14822      33.03476 
1 1 1 -23 13 13 o 60.78241 27.25189 -0.6834372     1.612698  -0.6221975     1.719935  -1.129102      4.639804  63.61114 28.35821 104.9607 46.70014 -41.34959      54.63599 
1 1 1 -23 13 14 o 304.7950 16.33132 22.11957       2.333009  23.37519       2.589768  16.71255       5.374145  313.0314 17.65959 253.6543 46.76286 59.37712       49.98626 
1 1 1 -23 13 15 o 130.8202 33.11528 4.361022       2.039739  4.724018       2.084054  -3.903092      9.943882  136.1676 32.90297 140.0518 64.64584 -3.884216      72.53751 
1 1 1 -23 13 16 o 637.3272 14.93318 96.51717       4.476968  100.4436       5.134602  84.06660       9.143270  649.2792 16.81148 582.1393 33.53097 67.13989       37.50935 
1 1 1 -23 13 17 o 308.9576 17.58364 22.88428       2.544938  25.70183       2.971608  15.13134       4.929340  326.8175 19.41658 238.0497 45.68155 88.76782       49.63675 
1 1 1 -23 13 18 o 419.9750 15.43912 42.06791       3.050109  41.03466       3.673275  44.36219       5.473599  413.3629 18.89090 424.1031 27.58677 -10.74017      33.43495 
1 1 1 -23 13 19 o 349.9117 21.33989 29.75956       3.495740  42.21165       6.146497  23.80604       4.250040  408.8973 32.21635 308.1616 29.68597 100.7357       43.80810 
1 1 1 -23 13 20 o 262.3083 20.04040 16.74137       2.454081  20.71206       3.265236  11.58676       3.720313  289.8057 24.17238 208.0655 39.45484 81.74022       46.27082 
1 1 1 -23 13 21 o 342.4502 19.91508 28.53672       3.194252  23.25506       4.743004  32.92057       4.321121  299.3812 34.29780 364.1784 25.38265 -64.79718      42.66870 
1 1 1 -23 13 22 o 299.5239 20.15741 21.94272       2.823587  19.38428       3.567854  26.23068       4.618963  276.7291 27.78349 319.4745 31.13094 -42.74536      41.72598 
1 1 1 -23 13 23 o 241.5397 21.18860 14.42546       2.383140  15.85981       3.718163  13.42536       3.104720  245.2558 33.07175 227.7857 29.68029 17.47018       44.43715 
1 1 1 -23 13 24 o 272.3581 19.57679 18.28191       2.491404  21.88485       3.945479  15.89254       3.213015  290.2541 29.29787 248.0260 28.03078 42.22809       40.54738 
1 1 1 -23 13 25 o 151.2823 38.63952 6.642648       2.759558  0.8846612      6.195059  8.067969       3.082240  113.0852 51.76641 166.1395 39.93324 -53.05430      65.37908 
1 1 1 -23 13 26 o 141.1582 58.95682 7.651606       6.532649  0.000000       0.000000  7.651606       6.532649  ?        ?        141.1582 58.95682 0.000000       58.95682 
1 1 1 -23 13 27 o 117.3114 41.82368 4.358381       2.911299  7.618906       6.169861  3.424495       3.302010  135.3012 56.95198 108.2129 43.13270 27.08829       71.44199 
1 1 1 -23 13 28 o 333.6039 26.60797 30.20165       4.140802  19.34007       6.996095  36.05827       5.137275  194.3865 65.04712 356.5050 30.94041 -162.1185      72.03081 
1 1 1 -23 13 29 f 102.9663 45.43315 3.590963       4.303473  0.000000       0.000000  3.590963       4.303473  ?        ?        102.9663 45.43315 0.000000       45.43315 
1 1 1 -23 15 1  o 340.9378 17.62736 27.54485       2.817372  26.81332       6.520189  27.71279       3.124075  330.3767 42.97202 341.6921 19.51742 -11.31546      47.19666 
1 1 1 -23 15 2  o 357.0528 16.25937 30.11240       2.730898  36.90504       5.621300  28.01399       3.124372  392.0040 30.73050 343.5406 19.41319 48.46335       36.34881 
1 1 1 -23 15 3  o 222.2641 24.03711 11.86375       2.473134  14.51127       4.879008  10.94828       2.869035  240.9021 44.70063 212.2712 29.53272 28.63087       53.57544 
1 1 1 -23 15 4  o 436.3748 26.34026 45.48856       5.381566  45.48856       5.381566  0.000000       0.000000  436.3748 26.34026 ?        ?        0.000000       26.34026 
1 1 1 -23 15 5  o 669.3562 15.55023 105.8495       4.896249  108.9201       7.078222  103.0321       6.780081  677.4308 22.21212 658.9563 21.87303 18.47449       31.17383 
1 1 1 -23 15 6  o 371.1475 18.35201 32.61416       3.204050  28.68452       4.484406  36.71225       4.579514  345.5301 27.82571 391.9136 24.97050 -46.38348      37.38712 
1 1 1 -23 15 7  o 670.7986 13.66458 106.2522       4.311790  100.0911       5.148692  120.7194       7.889702  650.3983 16.82861 712.2515 23.54821 -61.85327      28.94340 
1 1 1 -23 15 8  o 412.9257 14.27364 40.29074       2.772528  38.78210       3.281451  44.05470       5.183172  404.6905 17.23747 428.7862 25.81756 -24.09564      31.04315 
1 1 1 -23 15 9  o 182.6135 22.27451 8.053457       1.873768  7.992603       2.097706  8.293698       4.167930  181.2383 25.29453 179.4877 48.30157 1.750549       54.52389 
1 1 1 -23 15 10 o 834.3385 15.12170 164.7533       5.934884  177.6857       7.495123  143.0143       9.717559  865.1666 18.41661 772.2489 26.75042 92.91766       32.47701 
1 1 1 -23 15 11 o 505.5103 12.04675 60.36710       2.864633  57.63504       3.097901  76.48634       7.524787  493.6950 13.33950 562.7120 28.52070 -69.01706      31.48607 
1 1 1 -23 15 12 o 544.5916 12.09377 70.09816       3.098147  73.74256       3.451080  54.96433       7.032599  558.3229 13.14015 474.5390 31.68683 83.78394       34.30333 
1 1 1 -23 15 13 o 274.4352 16.30183 17.95124       2.095032  19.23712       2.287047  11.24366       5.223465  283.9178 17.20552 204.1617 53.67829 79.75610       56.36833 
1 1 1 -23 15 14 o 570.9318 14.89821 77.37842       4.001174  79.92776       4.200691  52.43758       13.13899  580.0801 15.39443 431.1714 66.95182 148.9088       68.69887 
1 1 1 -23 15 15 o 57.37404 26.68355 -1.462466      1.742843  -0.8112321     1.860564  -6.125718      4.978750  64.54842 29.07790 87.20470 41.86572 -22.65629      50.97316 
1 1 1 -23 15 16 o 484.2105 16.80500 55.95607       3.827736  55.95607       3.827736  0.000000       0.000000  484.2105 16.80500 ?        ?        0.000000       16.80500 
1 1 1 -23 15 17 o 308.4800 18.28736 22.88741       2.641836  21.88625       2.834013  29.52735       7.298468  300.9282 20.13646 330.7079 48.34335 -29.77963      52.36942 
1 1 1 -23 15 18 o 296.4469 25.41418 21.64681       3.509723  28.02022       4.735049  13.87564       5.228560  334.4003 30.43461 221.8713 51.14505 112.5290       59.51539 
1 1 1 -23 15 19 o 61.83888 28.96931 -1.862809      2.115705  -3.220832      2.406446  2.760634       4.440228  60.23816 28.96740 121.8658 49.50914 -61.62767      57.36084 
1 1 1 -23 15 20 o 433.1543 18.47062 45.26080       3.763514  44.70011       4.171954  47.71106       8.721327  429.1126 20.66802 418.3070 45.03143 10.80560       49.54792 
1 1 1 -23 15 21 o 60.39485 28.47754 -2.004790      2.103553  -3.754386      2.805152  0.2431703      3.179668  64.19617 30.96883 90.92512 39.61477 -26.72895      50.28318 
1 1 1 -23 15 22 o 229.7096 24.24868 13.21341       2.580613  14.14967       3.666912  12.29469       3.632410  230.7746 34.86573 212.8942 37.64849 17.88042       51.31304 
1 1 1 -23 15 23 o 219.5317 25.62174 12.25416       2.596134  12.43857       3.732607  12.08136       3.613276  211.5234 38.94836 209.0378 38.15154 2.485565       54.52077 
1 1 1 -23 15 24 o 74.44894 33.21610 -0.2828504     2.364703  -2.758838      3.400668  2.035235       3.290446  75.11560 35.65249 102.0167 42.16020 -26.90106      55.21397 
1 1 1 -23 15 25 o 139.1078 40.33780 5.819780       2.793480  7.589180       6.191322  5.367503       3.130207  143.5584 58.40777 131.8377 43.48710 11.72069       72.81892 
1 1 1 -23 15 26 o 121.4477 49.58535 4.757187       4.481951  3.614745       6.361972  5.882878       6.315158  118.5279 53.54716 128.6780 55.94766 -10.15012      77.44313 
1 1 1 -23 15 27 o 310.7249 23.80333 25.33362       3.452772  14.97919       6.550569  29.31712       4.063010  174.6963 62.68791 330.5798 26.34653 -155.8835      67.99937 
1 1 1 -23 15 28 o 200.9208 39.56057 13.04880       3.605932  14.45006       6.255214  12.35137       4.412979  163.5981 60.84682 176.8652 50.52646 -13.26712      79.09020 
1 1 1 -23 17 1  o 619.1008 14.84983 90.54601       4.324662  95.06541       9.530138  89.37402       4.853119  628.4481 32.34715 614.7075 16.78352 13.74054       36.44207 
1 1 1 -23 17 2  o 401.8815 15.37428 38.17077       2.906446  36.80551       5.570234  38.68153       3.407006  390.7451 30.54776 404.2129 17.91816 -13.46771      35.41505 
1 1 1 -23 17 3  o 217.4614 35.84678 11.69922       3.539131  19.71463       5.027603  3.825803       4.982870  282.6662 38.83717 141.9312 53.97701 140.7350       66.49695 
1 1 1 -23 17 4  o 314.4355 30.29654 23.92911       4.425739  23.92911       4.425739  0.000000       0.000000  314.4355 30.29654 ?        ?        0.000000       30.29654 
1 1 1 -23 17 5  o 145.9762 35.22833 5.355059       2.391355  5.117016       3.917575  5.496433       3.019082  146.2350 48.66991 147.7892 41.64348 -1.554199      64.05419 
1 1 1 -23 17 6  o 161.2928 33.11445 6.498904       2.428326  8.402536       3.553190  4.830559       3.326364  181.6272 42.36506 140.5064 44.71233 41.12077       61.59538 
1 1 1 -23 17 7  o 362.0937 16.43874 31.05597       2.800004  34.28569       3.486348  25.18728       4.699581  379.4041 19.60132 321.6854 31.45960 57.71866       37.06640 
1 1 1 -23 17 8  o 191.9816 25.34855 8.969226       2.233210  7.654688       2.670391  12.02735       4.073014  174.9183 33.67619 217.8212 41.26139 -42.90297      53.25963 
1 1 1 -23 17 9  o 444.9594 13.47156 46.82472       2.819730  45.38600       3.198490  51.84305       5.973604  437.6734 15.53551 463.4078 27.52697 -25.73447      31.60832 
1 1 1 -23 17 10 o 520.8212 12.77839 64.14474       3.130646  66.37246       3.558198  56.51011       6.587092  529.4316 14.28733 482.6083 29.15231 46.82330       32.46514 
1 1 1 -23 17 11 o 230.2065 16.89951 12.65890       1.817253  13.54844       1.961618  7.274079       4.826337  238.0370 17.64428 167.2659 53.92495 70.77112       56.73817 
1 1 1 -23 17 12 o 116.1726 28.40421 3.401629       1.539258  3.258712       1.605160  5.035672       5.427598  113.6558 29.69560 149.8408 56.49039 -36.18499      63.82000 
1 1 1 -23 17 13 o 457.6068 12.78012 49.60202       2.751038  51.54005       2.966973  37.72295       7.345569  466.2629 13.52737 384.8080 41.22148 81.45496       43.38433 
1 1 1 -23 17 14 o 320.0318 15.69721 24.37156       2.363115  24.78758       2.543185  21.74198       6.393893  322.0482 16.84611 285.1353 49.46333 36.91296       52.25334 
1 1 1 -23 17 15 o 231.3454 19.50493 12.92111       2.102834  13.25893       2.284609  11.04806       5.379513  233.9031 20.98708 197.8562 55.53074 36.04689       59.36431 
1 1 1 -23 17 16 o 314.8063 16.40985 23.72142       2.421648  23.30269       2.634609  26.00193       6.148413  311.4381 18.06109 314.9285 42.59624 -3.490417      46.26708 
1 1 1 -23 17 17 o 127.0637 33.60896 4.199749       2.039766  4.383652       2.180025  2.906956       5.780051  129.5433 34.96278 133.2427 55.53727 -3.699356      65.62609 
1 1 1 -23 17 18 o 265.5009 20.52937 17.13118       2.544034  17.81326       2.850827  14.46394       5.637434  269.8260 22.67052 223.6901 54.15490 46.13593       58.70866 
1 1 1 -23 17 19 o 87.95428 35.00145 1.271963       2.171175  3.087161       2.430463  -5.899651      4.830983  111.3122 38.32496 84.16644 40.61206 27.14579       55.84032 
1 1 1 -23 17 20 o 177.0890 30.88450 8.117343       2.479216  5.877068       2.851647  15.05298       5.017509  146.2025 40.20923 229.9108 47.94629 -83.70830      62.57498 
1 1 1 -23 17 21 o 122.7339 40.74405 4.071544       2.746160  5.284253       3.106272  -0.2678954     5.875949  137.1206 43.16097 112.6330 51.11665 24.48758       66.90128 
1 1 1 -23 17 22 o 224.2121 31.79875 13.22034       3.259837  18.00833       4.921907  9.478812       4.350926  252.0504 43.05862 175.5163 50.17995 76.53401       66.12165 
1 1 1 -23 17 23 o 95.59105 37.82114 1.932426       2.521568  -1.516560      3.532825  5.514222       3.600201  82.60706 38.27110 135.3931 46.64288 -52.78600      60.33437 
1 1 1 -23 17 24 o 129.6559 44.35860 5.139379       3.254243  -0.6640904     6.004012  7.553520       3.872389  105.3072 49.15953 152.5767 48.20979 -47.26952      68.85378 
1 1 1 -23 17 25 o 99.36136 40.81245 2.280128       3.059214  10.21700       6.028045  -0.4731555     3.550398  157.0055 59.45049 85.26835 39.09018 71.73719       71.15056 
1 1 1 -23 17 26 o 82.46300 38.87436 -1.413881      3.915819  -2.115636      5.635845  -0.7589180     5.444710  92.56770 44.46763 95.72713 45.34097 -3.159439      63.50727 
1 1 1 -23 19 1  o 305.0989 18.30461 22.15326       2.614919  19.02500       5.135640  23.24812       3.038252  276.1808 40.75512 312.0453 20.81789 -35.86447      45.76423 
1 1 1 -23 19 2  o 93.89829 35.88122 1.528645       2.208534  -0.5100483     4.548740  2.157477       2.526286  107.9980 47.20827 104.6648 38.71982 3.333191       61.05608 
1 1 1 -23 19 3  o 261.1718 29.07577 16.58678       3.511491  15.92790       4.757708  17.37515       5.204283  251.6798 41.64268 262.2964 43.71814 -10.61662      60.37705 
1 1 1 -23 19 4  o 450.7979 16.47324 48.15139       3.493255  47.00945       4.947554  49.28657       4.932895  443.0349 23.82769 453.8827 23.18141 -10.84781      33.24360 
1 1 1 -23 19 5  o 201.0689 27.98992 9.894096       2.575577  6.762655       3.776965  12.61593       3.521291  162.3796 46.85165 225.5581 34.26543 -63.17844      58.04478 
1 1 1 -23 19 6  o 290.4927 20.35036 20.18948       2.763283  20.57954       3.688998  19.69084       4.170984  291.3819 27.22953 283.4404 31.83339 7.941528       41.89048 
1 1 1 -23 19 7  o 287.4622 19.33871 19.75296       2.599827  17.26670       3.115013  25.46076       4.719763  267.1763 25.07871 322.5596 31.50811 -55.38336      40.27037 
1 1 1 -23 19 8  o 217.2355 27.09390 11.53697       2.708486  11.63419       3.295774  11.33472       4.753663  216.0818 33.50940 207.3314 49.43699 8.750381       59.72350 
1 1 1 -23 19 9  o 171.7209 33.67133 7.442950       2.622692  3.953764       3.162911  15.12188       4.692186  128.5379 43.73288 242.7812 42.64160 -114.2432      61.08085 
1 1 1 -23 19 10 o 315.1199 15.25178 23.56635       2.260818  25.99234       2.491229  12.24138       5.382546  330.7917 16.00994 212.6217 53.77883 118.1700       56.11132 
1 1 1 -23 19 11 o 457.3617 12.73622 49.53077       2.740120  49.13558       2.938108  52.17004       7.592970  455.2894 13.71864 457.9557 35.52475 -2.666321      38.08160 
1 1 1 -23 19 12 o 196.9486 18.69503 9.343888       1.711243  9.002760       1.797851  12.63080       5.580701  192.9316 20.10518 213.8166 55.13084 -20.88499      58.68244 
1 1 1 -23 19 13 o 158.6744 23.18018 6.189362       1.679145  6.189362       1.679145  0.000000       0.000000  158.6744 23.18018 ?        ?        0.000000       23.18018 
1 1 1 -23 19 14 o 471.4658 12.50355 52.69416       2.773018  53.23022       2.966858  48.98930       7.799681  473.6082 13.31706 439.2210 38.12896 34.38712       40.38764 
1 1 1 -23 19 15 o 91.17173 31.57323 1.908229       1.650700  2.148840       1.723933  -0.7446493     5.724282  95.37809 32.28759 114.9578 51.45615 -19.57967      60.74721 
1 1 1 -23 19 16 o 262.4617 18.38936 16.60036       2.256056  17.92004       2.473442  10.06722       5.503360  272.3677 19.43284 186.5330 57.24417 85.83475       60.45271 
1 1 1 -23 19 17 o 230.0373 30.75249 13.38898       3.244427  12.64566       3.666683  16.07016       6.963855  220.3259 36.66713 229.2495 62.74699 -8.923569      72.67505 
1 1 1 -23 19 18 o 109.9213 36.83813 3.037878       2.243889  4.719328       2.392308  -9.265756      6.471305  133.0756 36.91947 92.16471 45.04852 40.91090       58.24445 
1 1 1 -23 19 19 o 258.0388 22.02778 16.36537       2.648162  17.93185       2.985909  10.59240       5.732103  269.2227 23.82334 184.4509 58.69458 84.77182       63.34513 
1 1 1 -23 19 20 o 90.26698 37.34417 1.104454       2.585602  0.3819378      2.725155  7.621880       8.184747  85.98514 37.06785 159.5635 66.26246 -73.57840      75.92588 
1 1 1 -23 19 21 o 158.0588 36.52541 6.872724       2.661195  7.240254       3.194799  6.039760       4.809614  158.8469 42.08364 142.6415 53.29489 16.20534       67.90713 
1 1 1 -23 19 22 o 223.1444 29.11163 13.00306       2.982975  15.34063       3.864826  9.558631       4.691442  236.9806 35.78417 171.1741 52.90673 65.80656       63.87197 
1 1 1 -23 19 23 o 251.8767 32.79597 17.21000       3.793622  19.86623       6.399677  15.77096       4.710456  239.8094 57.47984 227.7045 45.56722 12.10489       73.35056 
1 1 1 -23 19 24 o 247.6881 32.72085 16.94843       3.719075  13.13912       6.213014  19.07554       4.642737  178.5970 61.28801 253.9505 40.20356 -75.35358      73.29766 
1 1 1 -23 19 25 o 82.28555 37.37594 -0.6081362E-01 3.150103  -6.926279      5.449492  3.384503       3.860429  79.59013 39.37099 109.0988 45.42337 -29.50869      60.11121 
1 1 1 -23 21 1  o 340.7022 19.28197 27.68696       3.077588  -0.3079667     7.226722  33.88884       3.401446  135.0136 59.24765 377.0497 19.24170 -242.0361      62.29388 
1 1 1 -23 21 2  o 104.0408 36.75758 2.364763       2.243846  -1.866937      4.575124  3.705019       2.574776  100.6219 45.43788 123.3179 39.34810 -22.69601      60.10719 
1 1 1 -23 21 3  o 449.8996 20.72067 48.24230       4.385193  43.12165       5.576491  56.53984       7.098608  422.1033 28.24795 481.9938 31.48143 -59.89053      42.29689 
1 1 1 -23 21 4  o 395.8207 18.38799 37.24987       3.423750  30.83975       4.562600  45.51130       5.179728  356.8611 27.38859 434.6940 25.44201 -77.83298      37.38223 
1 1 1 -23 21 5  o 87.94638 36.43135 0.6434171      2.465341  -2.154701      3.390849  3.781213       3.590772  82.92767 38.08509 129.6323 46.42388 -46.70459      60.04707 
1 1 1 -23 21 6  o 374.7949 17.63438 33.39531       3.109018  33.26643       3.897827  33.62069       5.154643  372.2317 22.36451 371.3382 29.75938 0.8934631      37.22623 
1 1 1 -23 21 7  o 79.12251 33.28249 0.3142284      2.104832  -2.584440      2.448664  8.516647       4.119086  65.03417 30.68322 179.7312 47.86544 -114.6970      56.85561 
1 1 1 -23 21 8  o 264.7370 25.85678 17.04881       3.178910  18.16803       3.995744  15.11891       5.246966  271.0896 31.94744 239.7795 48.19041 31.31013       57.81829 
1 1 1 -23 21 9  o 462.4237 15.68491 50.78580       3.411862  50.78580       3.411862  0.000000       0.000000  462.4237 15.68491 ?        ?        0.000000       15.68491 
1 1 1 -23 21 10 o 107.4269 31.83977 2.880435       1.723845  2.357598       1.831386  6.944115       5.105714  99.88812 33.27836 163.5460 55.56430 -63.65787      64.76759 
1 1 1 -23 21 11 o 113.9177 29.62944 3.286273       1.602754  3.197177       1.684228  4.140904       5.216259  112.4189 30.89461 141.1165 54.82043 -28.69766      62.92660 
1 1 1 -23 21 12 o 277.4841 16.11503 18.39016       2.094420  18.39016       2.094420  0.000000       0.000000  277.4841 16.11503 ?        ?        0.000000       16.11503 
1 1 1 -23 21 13 o 155.1029 23.81654 5.941418       1.682126  5.892650       1.747728  6.554698       6.197804  154.1068 24.96302 161.3248 60.45516 -7.217941      65.40626 
1 1 1 -23 21 14 o 317.6144 14.38848 23.99372       2.149733  23.77626       2.262978  26.00476       6.881792  315.9614 15.22569 310.8086 48.66650 5.152832       50.99264 
1 1 1 -23 21 15 o 317.0520 14.87670 23.95215       2.218740  24.88707       2.355417  16.59037       6.609529  323.0015 15.50222 237.9658 59.26849 85.03572       61.26232 
1 1 1 -23 21 16 o 127.0206 36.55821 4.240835       2.302237  3.777900       2.482068  7.092747       6.160585  120.9113 38.63882 160.8672 60.27539 -39.95586      71.59666 
1 1 1 -23 21 17 o 259.6939 18.54264 16.32873       2.250288  17.05636       2.390064  10.64804       6.678139  265.1328 19.29597 184.6387 63.53043 80.49403       66.39616 
1 1 1 -23 21 18 o 59.33516 28.39281 -2.740412      2.248566  -2.465972      2.437880  -4.304400      5.819757  64.03539 30.33296 98.65938 46.77251 -34.62399      55.74725 
1 1 1 -23 21 19 o 292.4248 21.37081 21.03222       2.919350  28.35642       3.653586  8.098077       4.855210  338.5583 23.07885 162.6091 54.18510 175.9493       58.89532 
1 1 1 -23 21 20 f 220.5027 28.11442 12.49801       2.849812  15.04658       3.554918  7.914766       4.767252  239.0049 32.45911 158.5666 53.69191 80.43829       62.74086 
1 1 1 -23 21 21 f 141.0290 41.16016 5.793194       2.900157  11.17068       3.706180  -2.700833      4.657940  197.0986 41.29567 89.65039 42.30375 107.4482       59.11801 
1 1 1 -23 21 22 o 128.8662 41.81773 4.949901       2.898882  7.303372       3.770031  1.545640       4.534213  151.2202 47.54119 106.2380 46.76757 44.98215       66.68861 
1 1 1 -23 21 23 o 107.2829 47.07713 2.146809       4.562340  0.000000       0.000000  2.146809       4.562340  ?        ?        107.2829 47.07713 0.000000       47.07713 
1 1 1 -23 23 1  o 368.6007 17.75671 32.27743       3.078846  27.62545       5.234639  34.73793       3.806972  335.2186 33.65043 380.9846 21.32804 -45.76602      39.84015 
1 1 1 -23 23 2  o 562.3793 19.56162 75.31455       5.174917  74.05180       6.753367  77.11059       8.054142  555.0941 25.86333 563.3531 30.50638 -8.258972      39.99439 
1 1 1 -23 23 3  o 124.3876 37.76129 3.856455       2.403336  9.330653       4.421965  1.561516       2.863127  188.2136 49.34219 101.6674 40.27724 86.54618       63.69386 
1 1 1 -23 23 4  o 289.3505 22.57889 20.15179       3.048910  20.94481       4.113979  19.18550       4.541232  292.3959 30.35261 277.6624 35.58760 14.73349       46.77348 
1 1 1 -23 23 5  o 242.6029 25.94828 14.32289       2.915321  14.96146       3.862999  13.47800       4.443442  245.0049 34.47150 228.9451 42.83356 16.05981       54.98180 
1 1 1 -23 23 6  o 371.4504 18.53166 32.86362       3.238056  29.17720       3.886459  41.23068       5.855156  347.7904 23.90074 410.6630 30.52810 -62.87253      38.77126 
1 1 1 -23 23 7  o 271.2122 20.56869 17.67813       2.604591  18.30528       2.987755  15.69263       5.316130  275.1900 23.29918 244.3512 47.96243 30.83881       53.32210 
1 1 1 -23 23 8  o 179.5979 35.65244 8.218210       2.905773  7.840589       3.683190  8.840667       4.728792  172.4997 44.94030 181.2538 52.46043 -8.754044      69.07768 
1 1 1 -23 23 9  o 336.8572 15.38392 26.95855       2.437711  25.91723       2.642473  32.90726       6.315815  329.4717 17.10883 361.6544 37.67820 -32.18265      41.38066 
1 1 1 -23 23 10 o 197.5210 20.83908 9.453616       1.907022  9.756508       2.029404  7.167064       5.575906  200.3988 21.88375 165.5895 57.98982 34.80922       61.98159 
1 1 1 -23 23 11 o 276.6983 15.41486 18.26870       1.998423  17.60638       2.092604  25.13377       6.737156  271.3461 16.47230 307.6765 48.12625 -36.33038      50.86720 
1 1 1 -23 23 12 o 185.2056 20.47575 8.336413       1.754032  8.286448       1.821728  8.971463       6.494644  184.3722 21.40300 178.9885 62.59066 5.383713       66.14891 
1 1 1 -23 23 13 f 90.07869 30.67908 1.894888       1.556538  1.493472       1.610330  7.604043       6.073000  84.60712 30.97732 166.9124 60.30201 -82.30531      67.79326 
1 1 1 -23 23 14 o 413.3751 13.60809 40.64652       2.646128  40.63000       2.840462  40.75506       7.279029  412.9331 14.62312 396.2965 39.57592 16.63660       42.19110 
1 1 1 -23 23 15 o 68.75492 29.65648 0.4000823E-02  1.746321  0.4004719      1.848858  -3.275862      5.317723  74.45885 31.25021 98.80201 46.17042 -24.34315      55.75198 
1 1 1 -23 23 16 o 177.6644 27.79576 8.001141       2.246854  9.131354       2.431122  1.381986       5.883393  189.8946 28.06131 123.0036 53.73041 66.89101       60.61678 
1 1 1 -23 23 17 o 88.29028 37.47746 0.6521892      2.708048  -0.9699932     3.037882  6.929252       5.975844  81.42825 36.87468 154.5600 59.03159 -73.13177      69.60223 
1 1 1 -23 23 18 o 412.9559 17.97896 41.30889       3.492509  41.30889       3.492509  0.000000       0.000000  412.9559 17.97896 ?        ?        0.000000       17.97896 
1 1 1 -23 23 19 o 72.47938 34.45210 -2.963434      3.198259  -2.963434      3.198259  0.000000       0.000000  72.47938 34.45210 ?        ?        0.000000       34.45210 
1 1 1 -23 23 20 o 75.94538 34.39875 -0.6782385     2.645171  2.401505       3.436615  -5.155070      4.143420  106.3745 43.42405 75.68824 36.78296 30.68629       56.90900 
1 1 1 -23 25 1  o 223.8385 25.50871 12.19801       2.637944  15.61419       4.530032  10.44520       3.244874  248.0743 40.19478 203.8331 35.10889 44.24118       53.36904 
1 1 1 -23 25 2  o 128.6321 43.93545 3.945567       3.192400  0.5037866      4.267217  8.320453       4.811013  109.5298 46.78280 177.2045 53.34435 -67.67472      70.95245 
1 1 1 -23 25 3  o 244.0860 24.04543 14.44057       2.725007  15.06791       4.420960  14.05620       3.460563  243.3849 40.00513 238.2444 31.66260 5.140472       51.01893 
1 1 1 -23 25 4  f 156.6038 38.94153 6.327742       2.856592  8.415964       3.613187  2.846611       4.665113  179.5286 43.28864 128.9968 51.31506 50.53178       67.13525 
1 1 1 -23 25 5  o 91.54276 38.01088 0.7298598      2.692864  -1.957098      3.209503  7.119501       4.949321  80.86227 37.10557 165.2872 54.69009 -84.42490      66.08956 
1 1 1 -23 25 6  o 117.7545 38.91826 3.369446       2.506572  4.776697       2.979921  -0.3507729E-01 4.634972  136.8046 42.14629 109.6373 47.79638 27.16737       63.72443 
1 1 1 -23 25 7  o 127.4055 36.96960 4.144114       2.345731  5.065790       2.663921  0.9625447      4.949402  139.9707 39.00408 118.2954 50.45163 21.67529       63.77057 
1 1 1 -23 25 8  o 290.3482 19.07660 20.23999       2.590991  19.20103       2.844285  25.30618       6.280801  281.9518 21.60961 312.2715 43.97565 -30.31961      48.99829 
1 1 1 -23 25 9  o 155.3171 29.02618 6.074236       2.042720  6.100952       2.180658  5.882878       5.836129  155.0372 30.98431 155.7280 58.60450 -0.6907196     66.29114 
1 1 1 -23 25 10 o 209.6955 20.83283 10.67103       2.027774  10.27323       2.179114  13.24019       5.537869  205.0319 22.98971 217.3697 54.31377 -12.33772      58.97892 
1 1 1 -23 25 11 o 161.3678 26.04720 6.496572       1.909849  6.496572       1.909849  0.000000       0.000000  161.3678 26.04720 ?        ?        0.000000       26.04720 
1 1 1 -23 25 12 o 78.90354 30.61563 1.071177       1.625406  -0.9525023E-01 1.692701  14.87218       5.822462  67.00552 29.04905 227.8564 54.95813 -160.8509      62.16304 
1 1 1 -23 25 13 f 408.4974 14.11650 39.76031       2.712599  42.36450       2.951278  25.58562       6.885428  421.3576 14.88984 303.8336 49.90889 117.5240       52.08268 
1 1 1 -23 25 14 o 307.8475 18.59156 22.91886       2.679651  26.67139       2.977848  6.947087       6.143516  331.8985 19.15480 157.8841 59.96082 174.0144       62.94605 
1 1 1 -23 25 15 o 426.0877 18.92270 43.90821       3.792724  46.96843       4.393559  34.95839       7.513581  439.0976 21.27091 355.4859 46.01158 83.61169       50.69041 
1 1 1 -23 25 16 o 204.2448 26.93159 10.57451       2.524408  10.73725       2.809688  9.892985       5.749784  204.0275 30.18640 176.0491 58.96901 27.97847       66.24622 
1 1 1 -23 25 17 o 168.8278 32.39959 7.567172       2.479503  9.053956       2.807446  2.295185       5.286577  184.2776 33.62594 119.8966 51.65785 64.38104       61.63795 
1 1 1 -23 27 1  o 183.8846 35.13471 8.595140       2.928332  9.319263       5.862825  8.354441       3.380164  184.9611 59.41343 179.1841 40.99119 5.777008       72.18195 
1 1 1 -23 27 2  o 196.4526 34.78605 9.777530       3.096987  7.556267       3.830307  13.97146       5.263133  168.7962 46.67421 228.2218 50.37368 -59.42567      68.67306 
1 1 1 -23 27 3  f 139.9327 37.56815 5.055014       2.524912  2.665685       3.785419  6.970022       3.388921  119.6189 46.63610 162.7095 43.45612 -43.09061      63.74449 
1 1 1 -23 27 4  o 269.4810 23.36677 17.61767       2.932756  18.07668       3.479824  16.49227       5.448741  271.3749 27.64559 248.9798 48.26486 22.39510       55.62171 
1 1 1 -23 27 5  o 82.84138 35.72300 0.1279666E-01  2.532494  0.4569777      3.002114  -1.083234      4.715835  92.97879 39.46331 104.3006 46.69376 -11.32178      61.13640 
1 1 1 -23 27 6  f 110.9680 39.03522 2.857898       2.527888  1.188917       2.975452  7.187872       4.792586  98.42155 40.31757 163.6095 53.80190 -65.18800      67.23207 
1 1 1 -23 27 7  o 294.4997 26.06567 21.25412       3.573665  19.61558       4.348306  24.66409       6.272879  279.0703 33.81380 306.2044 44.88209 -27.13406      56.19409 
1 1 1 -23 27 8  f 339.4912 17.91545 27.65164       2.850920  28.45181       3.245290  24.94650       5.967010  343.4846 20.17379 309.1525 42.12817 34.33203       46.70937 
1 1 1 -23 27 9  o 161.9035 30.53707 6.676858       2.240413  9.513549       2.517942  -4.105232      4.908980  194.9389 28.28442 92.30773 43.51852 102.6311       51.90250 
1 1 1 -23 27 10 o 189.6140 25.40422 8.927767       2.208959  8.919090       2.405546  8.974436       5.579055  188.4946 27.97885 176.0826 58.05579 12.41200       64.44603 
1 1 1 -23 27 11 o 308.3788 17.17503 22.87140       2.481559  25.92676       2.721185  7.779430       6.047829  328.1704 17.69282 165.2227 60.10232 162.9477       62.65241 
1 1 1 -23 27 12 f 94.88658 34.12685 2.052863       1.942397  3.331575       2.098633  -5.588585      5.130244  113.4510 35.43841 88.46475 42.47789 24.98630       55.31955 
1 1 1 -23 27 13 o 61.22890 28.42826 -1.448393      1.964824  -1.424633      2.110271  -1.603151      5.385698  64.12215 29.66186 104.7302 48.06103 -40.60800      56.47732 
1 1 1 -23 27 14 o 281.0831 20.31383 19.32792       2.667851  23.66608       3.028302  4.289536       5.638284  310.8611 20.82968 135.5387 55.50844 175.3224       59.28796 
1 1 1 -23 29 1  o 123.9347 41.53639 3.808296       2.852751  9.051724       5.169618  1.512469       3.420743  180.4503 55.49855 105.9537 43.29610 74.49667       70.38922 
1 1 1 -23 29 2  f 170.2687 36.69571 7.523278       2.852489  3.445939       3.380491  17.60404       5.315426  122.7627 44.89225 257.6193 45.52735 -134.8566      63.93789 
1 1 1 -23 29 3  o 189.8008 30.10028 9.058048       2.597747  7.025740       3.688388  11.05845       3.659324  161.4381 46.21758 205.9825 39.19811 -44.54439      60.60163 
1 1 1 -23 29 4  o 223.3583 27.00568 12.35029       2.779814  10.24481       3.200883  18.81094       5.607031  199.6378 35.37976 264.9482 46.69477 -65.31036      58.58438 
1 1 1 -23 29 5  o 92.74478 37.28424 1.267723       2.489607  2.243674       3.003242  -0.8763378     4.451382  107.6024 41.65338 101.3197 45.36198 6.282669       61.58501 
1 1 1 -23 29 6  o 94.50194 37.49878 1.467569       2.485432  1.356152       2.957020  1.735731       4.587514  98.81744 40.30295 117.4716 49.26006 -18.65421      63.64653 
1 1 1 -23 29 7  o 387.4462 21.23038 36.39260       3.854624  32.11467       4.758204  44.56005       6.574595  359.7093 28.35023 419.7747 33.57635 -60.06540      43.94436 
1 1 1 -22 0  1  o 60.15163 41.79977 -3.718222      4.170867  -3.718222      4.170867  -3.718222      4.170867  60.15163 41.79977 60.15163 41.79977 0.000000       0.000000 
1 1 1 -22 0  2  o 648.3474 21.81389 99.30617       6.635819  99.30617       6.635819  99.30617       6.635819  648.3474 21.81389 648.3474 21.81389 0.000000       0.000000 
1 1 1 -22 0  5  o 153.1053 53.27489 7.232171       3.466802  7.232171       3.466802  7.232171       3.466802  153.1053 53.27489 153.1053 53.27489 0.000000       0.000000 
1 1 1 -22 0  6  o 350.1353 24.55509 29.29833       3.998644  29.29833       3.998644  29.29833       3.998644  350.1353 24.55509 350.1353 24.55509 0.000000       0.000000 
1 1 1 -22 0  9  o 155.5250 78.51442 8.495839       7.117448  8.495839       7.117448  8.495839       7.117448  155.5250 78.51442 155.5250 78.51442 0.000000       0.000000 
1 1 1 -22 0  10 o 528.7985 17.37984 66.03950       4.312619  66.03950       4.312619  66.03950       4.312619  528.7985 17.37984 528.7985 17.37984 0.000000       0.000000 
1 1 1 -22 0  11 o 168.8246 38.48958 7.683777       2.663640  7.683777       2.663640  7.683777       2.663640  168.8246 38.48958 168.8246 38.48958 0.000000       0.000000 
1 1 1 -22 0  12 o 79.06940 45.22653 1.894312       2.654493  1.894312       2.654493  1.894312       2.654493  79.06940 45.22653 79.06940 45.22653 0.000000       0.000000 
1 1 1 -22 0  13 o 571.2017 16.78589 77.01974       4.501462  77.01974       4.501462  77.01974       4.501462  571.2017 16.78589 571.2017 16.78589 0.000000       0.000000 
1 1 1 -22 0  14 o 443.4247 17.08980 46.50962       3.552704  46.50962       3.552704  46.50962       3.552704  443.4247 17.08980 443.4247 17.08980 0.000000       0.000000 
1 1 1 -22 0  15 o 766.1778 26.41355 139.0309       9.494101  139.0309       9.494101  139.0309       9.494101  766.1778 26.41355 766.1778 26.41355 0.000000       0.000000 
1 1 1 -22 0  16 o 141.4867 44.40652 5.952924       2.594697  5.952924       2.594697  5.952924       2.594697  141.4867 44.40652 141.4867 44.40652 0.000000       0.000000 
1 1 1 -22 0  17 o 680.8066 16.94984 109.4294       5.420633  109.4294       5.420633  109.4294       5.420633  680.8066 16.94984 680.8066 16.94984 0.000000       0.000000 
1 1 1 -22 0  18 o 1206.051 20.58517 343.5687       11.67089  343.5687       11.67089  343.5687       11.67089  1206.051 20.58517 1206.051 20.58517 0.000000       0.000000 
1 1 1 -22 0  19 o 1165.622 26.89903 322.2355       14.73130  322.2355       14.73130  322.2355       14.73130  1165.622 26.89903 1165.622 26.89903 0.000000       0.000000 
1 1 1 -22 0  20 o 147.5414 43.58688 6.373912       2.630196  6.373912       2.630196  6.373912       2.630196  147.5414 43.58688 147.5414 43.58688 0.000000       0.000000 
1 1 1 -22 0  21 o 290.5947 24.56555 20.43237       3.302811  20.43237       3.302811  20.43237       3.302811  290.5947 24.56555 290.5947 24.56555 0.000000       0.000000 
1 1 1 -22 0  22 o 352.8170 22.61402 29.85521       3.717798  29.85521       3.717798  29.85521       3.717798  352.8170 22.61402 352.8170 22.61402 0.000000       0.000000 
1 1 1 -22 0  23 o 74.52113 51.95716 -5.555886      6.591729  -5.555886      6.591729  -5.555886      6.591729  74.52113 51.95716 74.52113 51.95716 0.000000       0.000000 
1 1 1 -22 0  24 o 302.8623 26.71098 22.35942       3.737350  22.35942       3.737350  22.35942       3.737350  302.8623 26.71098 302.8623 26.71098 0.000000       0.000000 
1 1 1 -22 0  25 o 282.1788 29.11985 19.64016       3.771008  19.64016       3.771008  19.64016       3.771008  282.1788 29.11985 282.1788 29.11985 0.000000       0.000000 
1 1 1 -22 0  26 o 78.82661 54.43908 -4.280619      6.801250  -4.280619      6.801250  -4.280619      6.801250  78.82661 54.43908 78.82661 54.43908 0.000000       0.000000 
1 1 1 -22 0  27 o 324.2765 31.65928 26.03746       4.723645  26.03746       4.723645  26.03746       4.723645  324.2765 31.65928 324.2765 31.65928 0.000000       0.000000 
1 1 1 -22 0  28 o 70.26888 44.70602 0.6117989      3.241025  0.6117989      3.241025  0.6117989      3.241025  70.26888 44.70602 70.26888 44.70602 0.000000       0.000000 
1 1 1 -22 0  29 o 159.9504 54.87466 8.295630       3.711201  8.295630       3.711201  8.295630       3.711201  159.9504 54.87466 159.9504 54.87466 0.000000       0.000000 
1 1 1 -22 0  30 o 157.2168 78.81614 10.59750       7.143024  10.59750       7.143024  10.59750       7.143024  157.2168 78.81614 157.2168 78.81614 0.000000       0.000000 
1 1 1 -22 0  31 f 63.09039 44.93186 -6.798455      5.838404  -6.798455      5.838404  -6.798455      5.838404  63.09039 44.93186 63.09039 44.93186 0.000000       0.000000 
1 1 1 -22 0  32 o 77.46445 52.86353 -1.709869      5.990053  -1.709869      5.990053  -1.709869      5.990053  77.46445 52.86353 77.46445 52.86353 0.000000       0.000000 
1 1 1 -22 2  1  o 916.4589 15.53498 197.8336       6.697194  192.8613       9.458076  202.8338       9.484505  904.1759 22.23722 927.3190 21.74284 -23.14307      31.10056 
1 1 1 -22 2  2  o 783.6526 15.03406 144.6421       5.542035  138.7670       8.170435  149.6487       7.542422  766.8915 22.64863 796.6583 20.12655 -29.76685      30.29915 
1 1 1 -22 2  3  o 1106.270 15.15685 288.2691       7.887501  283.4245       11.26969  292.9208       11.04299  1096.069 21.85771 1114.400 21.06571 -18.33142      30.35661 
1 1 1 -22 2  4  o 1297.614 18.01517 396.8821       10.99647  394.5904       13.71286  401.0107       18.40577  1293.079 22.54415 1301.862 30.05521 -8.783203      37.57066 
1 1 1 -22 2  5  o 147.3810 33.64493 5.352533       2.281209  4.895865       3.150070  5.856124       3.307949  142.8505 43.20136 154.6947 43.59054 -11.84415      61.37176 
1 1 1 -22 2  6  o 253.3747 20.41922 15.24264       2.413069  12.03575       3.321678  18.82634       3.511409  223.0575 32.62132 280.9165 26.90163 -57.85898      42.28295 
1 1 1 -22 2  7  o 145.6239 30.27341 5.207479       2.006132  2.827237       2.899772  7.392516       2.778322  117.3028 41.74929 173.3868 35.26480 -56.08402      54.64988 
1 1 1 -22 2  8  o 897.6027 16.47204 189.9210       6.955060  185.0092       7.680272  212.3068       16.39623  885.6714 18.43464 944.8257 36.89121 -59.15424      41.24073 
1 1 1 -22 2  9  o 1122.319 22.35906 297.5686       11.80427  316.8847       16.22764  275.8621       17.20250  1156.188 29.83716 1077.522 33.93876 78.66602       45.18955 
1 1 1 -22 2  10 o 463.8062 12.74928 50.67464       2.781580  46.67436       3.528474  57.24186       4.520978  444.8634 16.86130 492.4286 19.51731 -47.56512      25.79202 
1 1 1 -22 2  11 o 364.2090 13.79589 31.26184       2.363577  31.52295       3.140600  30.92077       3.589378  365.4503 18.26901 361.1060 21.22408 4.344269       28.00390 
1 1 1 -22 2  12 o 476.5619 12.63320 53.51746       2.832058  56.21792       3.885905  50.45813       4.136058  488.0727 16.92538 462.1896 19.02379 25.88315       25.46317 
1 1 1 -22 2  13 o 718.4592 11.85346 121.6343       4.006053  122.2987       5.481462  120.8726       5.869224  719.8370 16.18799 715.4278 17.43996 4.409180       23.79503 
1 1 1 -22 2  14 f 751.5672 11.85784 133.1409       4.192208  131.4173       5.825405  134.9923       6.037646  745.9156 16.60226 755.9202 16.97940 -10.00452      23.74732 
1 1 1 -22 2  15 o 594.7303 14.00767 83.48624       3.918821  84.24123       4.616707  81.53984       7.412766  597.0161 16.43906 584.9780 26.93839 12.03815       31.55819 
1 1 1 -22 2  16 o 475.5488 12.30834 53.36450       2.753365  51.63383       3.800295  55.27673       3.994665  467.0297 17.29830 483.1736 17.57551 -16.14398      24.66029 
1 1 1 -22 2  17 o 376.5647 13.49847 33.51042       2.391077  33.14369       3.373560  33.88062       3.389483  373.0959 19.28795 377.2617 19.16241 -4.165802      27.18865 
1 1 1 -22 2  18 o 335.1539 14.61030 26.59713       2.303417  29.63997       3.286609  23.65967       3.229198  352.2596 19.91584 314.0481 21.99784 38.21149       29.67399 
1 1 1 -22 2  19 o 371.4604 14.52759 32.71235       2.538490  32.32327       3.532881  33.12763       3.649911  367.2547 20.53218 371.6641 20.96229 -4.409424      29.34260 
1 1 1 -22 2  20 o 315.3618 21.34552 23.97452       3.147893  25.93036       3.564739  17.04816       6.708320  327.2788 23.30705 246.6539 58.67131 80.62486       63.13114 
1 1 1 -22 2  21 o 73.56465 31.13415 0.2430011      1.860075  0.8030928      2.773402  -0.2149157     2.507706  92.27013 38.46574 80.30271 35.07827 11.96741       52.05860 
1 1 1 -22 2  22 o 253.4625 19.43023 15.55879       2.299014  19.22517       3.467026  12.68141       3.071399  278.4635 26.79882 224.2692 29.85545 54.19437       40.11889 
1 1 1 -22 2  23 o 127.3751 33.48092 4.285587       2.032490  7.649016       3.064859  1.645246       2.715498  167.8617 39.47663 97.56704 39.03904 70.29470       55.51982 
1 1 1 -22 2  24 o 386.7944 16.89187 36.06220       3.073458  31.97046       4.270242  40.45996       4.427048  357.9173 25.53043 404.6827 23.35500 -46.76544      34.60143 
1 1 1 -22 2  25 o 147.4551 32.45815 5.815393       2.190397  6.557548       3.259426  5.204215       2.957864  150.7123 43.53460 135.5558 42.02788 15.15649       60.51119 
1 1 1 -22 2  26 o 57.47863 27.61709 -2.701188      2.176244  -3.105074      2.994526  -2.249108      3.168155  68.77523 32.87065 75.00755 35.23763 -6.232323      48.18890 
1 1 1 -22 2  27 o 257.2003 23.91119 16.77604       2.859833  9.919739       4.302305  22.20380       3.827956  175.9852 49.75520 292.1683 28.20304 -116.1831      57.19258 
1 1 1 -22 2  28 o 147.1213 35.84237 6.220277       2.457657  4.200996       3.505558  8.172092       3.446499  119.2355 45.29111 161.7831 44.08519 -42.54754      63.20433 
1 1 1 -22 2  29 o 198.7073 35.79230 11.44028       3.222539  12.96968       7.084901  11.04134       3.618513  164.8044 63.92651 188.4823 41.89801 -23.67796      76.43325 
1 1 1 -22 2  30 o 120.6858 50.71214 5.461846       4.878259  4.396552       6.926868  6.510108       6.871269  116.2554 53.76452 124.2068 55.92342 -7.951447      77.57610 
1 1 1 -22 2  31 o 132.8970 51.54837 8.033543       4.606722  0.8995244      6.356167  15.92747       6.686128  98.20082 47.18704 164.5669 62.53978 -66.36606      78.34438 
1 1 1 -22 2  32 o 147.1615 60.01898 15.21998       6.557622  15.21998       6.557622  0.000000       0.000000  147.1615 60.01898 ?        ?        0.000000       60.01898 
1 1 1 -22 4  1  o 307.6682 19.49040 22.40565       2.806231  24.55708       5.915922  21.78101       3.187684  319.0618 40.31639 303.0054 22.52537 16.05637       46.18228 
1 1 1 -22 4  2  o 317.9742 20.75579 23.94665       3.087533  18.73835       4.782510  27.66866       4.042937  278.5894 37.44195 341.3564 25.35906 -62.76700      45.22147 
1 1 1 -22 4  3  o 146.4963 42.90131 5.199429       3.145954  5.841489       4.572837  4.622474       4.334802  159.5395 52.55835 146.7667 51.14537 12.77281       73.33641 
1 1 1 -22 4  4  o 375.0057 17.10458 33.14194       3.017308  37.06756       4.345013  29.48573       4.193268  395.5614 23.45580 352.3854 25.46829 43.17596       34.62381 
1 1 1 -22 4  5  o 386.6938 16.62883 35.23915       3.024811  36.48990       4.293951  34.00714       4.261688  392.4339 23.36638 378.7155 24.04677 13.71838       33.52961 
1 1 1 -22 4  6  o 1023.348 15.88787 246.7767       7.648188  247.2112       10.22408  246.2247       11.52468  1023.492 21.23590 1020.973 23.99635 2.518372       32.04354 
1 1 1 -22 4  7  o 1057.546 14.60189 263.4939       7.264030  258.0512       9.878439  269.9019       10.71871  1045.782 20.08065 1069.311 21.30930 -23.52930      29.28001 
1 1 1 -22 4  8  o 519.6620 17.03729 63.67190       4.164767  61.95420       4.347299  82.84781       14.52525  512.5289 18.03150 584.2113 53.44701 -71.68237      56.40672 
1 1 1 -22 4  9  o 621.9666 15.48714 91.18530       4.531141  87.03925       7.116741  94.01176       5.876038  606.6054 24.94053 631.0952 19.79340 -24.48981      31.84036 
1 1 1 -22 4  10 o 325.0867 18.96418 25.02959       2.887442  26.33472       4.613712  24.18927       3.702075  331.8322 29.87753 318.7599 24.88678 13.07227       38.88469 
1 1 1 -22 4  11 f 983.2083 13.17137 227.8023       6.091802  239.5130       8.411329  214.8839       8.834456  1007.381 17.75013 953.8022 19.69029 53.57874       26.50990 
1 1 1 -22 4  12 o 759.7324 12.01626 135.9977       4.294369  137.1582       5.724531  134.5040       6.494365  762.4506 15.96095 754.6675 18.29413 7.783142       24.27812 
1 1 1 -22 4  13 f 462.5407 12.37067 50.42741       2.691613  53.33309       3.581361  46.65575       4.080285  475.3374 16.01684 444.2009 19.52728 31.13654       25.25577 
1 1 1 -22 4  14 o 364.2570 30.70184 31.89655       5.211635  0.000000       0.000000  31.89655       5.211635  ?        ?        364.2570 30.70184 0.000000       30.70184 
1 1 1 -22 4  15 o 327.1276 14.45583 25.26994       2.224485  22.32687       2.889476  29.55233       3.485475  306.2648 20.16926 352.3514 21.12642 -46.08661      29.20829 
1 1 1 -22 4  16 o 778.7648 14.82969 143.3626       5.432599  148.1510       6.423384  131.3318       10.18153  790.9596 17.26396 740.0289 29.24791 50.93066       33.96299 
1 1 1 -22 4  17 o 174.7623 22.82746 7.403991       1.831777  8.391571       2.598112  6.427863       2.583004  184.1209 31.10571 159.6617 35.32724 24.45912       47.06994 
1 1 1 -22 4  18 o 454.9010 14.14121 48.99276       3.026027  48.22160       3.887516  50.17836       4.820252  450.2968 18.35287 458.1206 22.36766 -7.823792      28.93338 
1 1 1 -22 4  19 o 65.51769 28.96096 -0.4630807     1.756312  -2.230990      2.453184  1.395923       2.515593  66.88586 31.28925 95.44968 37.77278 -28.56382      49.04895 
1 1 1 -22 4  20 o 231.2685 19.73783 12.89712       2.126704  9.126041       3.381372  15.36516       2.735493  187.1895 39.63544 251.3830 23.40175 -64.19350      46.02836 
1 1 1 -22 4  21 o 459.4835 13.99125 50.19888       3.024098  53.11732       4.571671  47.92839       4.032360  469.6499 20.69338 446.8543 19.18333 22.79559       28.21730 
1 1 1 -22 4  22 o 65.32757 30.13641 -1.426564      2.156278  12.10167       6.517806  -3.089166      2.284941  198.4621 62.52819 58.71195 28.23181 139.7502       68.60619 
1 1 1 -22 4  23 o 93.03217 33.64203 1.967068       1.890826  1.320468       3.119080  2.342752       2.377493  98.76810 40.95129 101.6656 37.57180 -2.897507      55.57561 
1 1 1 -22 4  24 o 136.9585 43.01351 5.245808       3.087015  5.646723       3.480989  3.769323       6.680223  141.0708 45.82663 136.4548 58.41502 4.615952       74.24551 
1 1 1 -22 4  25 o 155.4350 30.73030 6.375303       2.167278  8.180029       3.258476  4.943520       2.902334  169.9521 41.18897 132.4241 41.72559 37.52806       58.63067 
1 1 1 -22 4  26 o 125.8726 35.30591 4.383771       2.175256  3.563946       3.410558  4.945960       2.824268  117.0547 44.62265 131.3360 41.12515 -14.28127      60.68327 
1 1 1 -22 4  27 o 88.92648 35.43744 1.582638       2.228441  0.6911820      3.480975  2.201681       2.900756  93.73882 41.12784 100.3672 40.28171 -6.628372      57.56836 
1 1 1 -22 4  28 o 137.9875 37.18592 5.576571       2.468269  5.240789       3.727723  5.838719       3.293742  128.5381 47.12066 135.9332 44.59757 -7.395081      64.87911 
1 1 1 -22 4  29 o 78.92443 35.97043 -0.3573387     2.949092  5.543996       6.710822  -1.769765      3.283096  126.1349 56.13961 75.44508 35.57491 50.68982       66.46224 
1 1 1 -22 4  30 o 198.6516 40.23716 12.49782       3.631121  -0.6248514     7.042239  17.25014       4.237918  101.0309 48.81993 234.8129 39.78807 -133.7820      62.97997 
1 1 1 -22 4  31 o 83.08702 41.24045 -5.062426      6.172630  -5.062426      6.172630  0.000000       0.000000  83.08702 41.24045 ?        ?        0.000000       41.24045 
1 1 1 -22 4  32 o 125.8178 54.73077 10.49941       6.049288  10.49941       6.049288  0.000000       0.000000  125.8178 54.73077 ?        ?        0.000000       54.73077 
1 1 1 -22 6  1  o 267.1344 25.95627 17.01483       3.220500  21.11475       6.071234  15.40949       3.799037  294.3801 45.29485 253.0268 32.68201 41.35324       55.85461 
1 1 1 -22 6  2  o 608.2388 18.11748 87.20424       5.183715  92.57396       7.089254  81.03449       7.599027  626.1628 24.06822 585.4843 27.59138 40.67853       36.61370 
1 1 1 -22 6  3  o 548.4954 15.76939 70.88054       4.068714  72.30760       5.657693  69.35197       5.855463  553.5653 21.72707 542.0308 22.96508 11.53448       31.61425 
1 1 1 -22 6  4  o 1496.816 17.76398 528.1447       12.50772  513.5076       14.71303  566.2902       23.75175  1475.226 21.20186 1545.801 32.66426 -70.57483      38.94191 
1 1 1 -22 6  5  o 1164.371 15.13758 319.4211       8.291193  319.1951       10.21606  319.8573       14.19152  1163.442 18.66679 1163.246 25.93509 0.1958008      31.95431 
1 1 1 -22 6  6  o 557.1409 13.64200 73.11467       3.575298  69.39700       4.719599  78.12129       5.476986  542.4594 18.49561 575.3961 20.23511 -32.93665      27.41436 
1 1 1 -22 6  7  o 255.5240 21.01689 15.51670       2.503814  12.64280       3.536006  18.40666       3.545871  228.3335 33.95465 277.5334 27.52351 -49.19991      43.70883 
1 1 1 -22 6  8  o 167.0670 49.34124 6.819065       4.145758  8.418550       4.450191  -3.686088      11.40485  184.1053 50.06445 163.3451 72.90726 20.76021       88.44160 
1 1 1 -22 6  9  o 683.2830 23.61929 110.4043       7.591661  110.4043       7.591661  0.000000       0.000000  683.2830 23.61929 ?        ?        0.000000       23.61929 
1 1 1 -22 6  10 o 761.3958 23.59657 137.1582       8.451399  137.1582       8.451399  0.000000       0.000000  761.3958 23.59657 ?        ?        0.000000       23.59657 
1 1 1 -22 6  11 o 304.2668 14.90434 21.83156       2.133226  24.25532       2.608255  16.93460       3.707401  320.0940 17.38744 265.2381 30.25563 54.85590       34.89594 
1 1 1 -22 6  12 o 517.8354 11.97170 63.18989       2.916198  66.85121       3.695993  57.15114       4.746631  532.3639 14.75887 491.5669 20.52738 40.79697       25.28236 
1 1 1 -22 6  13 o 200.3779 20.80503 9.606056       1.932457  11.31953       2.372374  6.227200       3.331423  217.2142 23.59764 157.9571 43.46783 59.25714       49.46009 
1 1 1 -22 6  14 o 338.6569 13.95770 27.06809       2.223530  27.88407       2.836198  25.76668       3.581816  342.9249 17.64176 328.6007 23.32362 14.32422       29.24420 
1 1 1 -22 6  15 o 135.9104 28.77573 4.581630       1.782398  7.679975       2.254062  -0.5885442     2.911747  177.1954 27.97033 85.75043 37.61921 91.44496       46.87798 
1 1 1 -22 6  16 o 346.8517 16.41055 28.48708       2.677541  28.08060       2.993592  30.11296       5.987084  343.5534 18.59295 350.1526 36.90445 -6.599243      41.32355 
1 1 1 -22 6  17 o 235.2617 17.44557 13.20645       1.916906  12.33787       2.602094  14.23722       2.834639  225.6518 24.93040 242.5058 25.21767 -16.85400      35.46062 
1 1 1 -22 6  18 o 240.3571 17.88333 13.81521       2.007498  11.41994       2.811283  16.30744       2.867616  215.5898 28.41310 259.7134 23.73475 -44.12363      37.02219 
1 1 1 -22 6  19 o 742.1309 12.87135 130.4419       4.493386  141.5695       6.685545  121.2739       6.068403  770.3309 18.44974 713.1730 18.08882 57.15784       25.83792 
1 1 1 -22 6  20 o 235.2624 18.36873 13.31265       2.016713  17.84057       3.199030  10.32633       2.597990  269.9983 25.48926 203.9944 27.79761 66.00389       37.71484 
1 1 1 -22 6  21 o 221.6192 20.70059 11.93762       2.133051  10.64783       3.244611  12.91936       2.830746  203.1654 35.22713 228.1973 26.88667 -25.03198      44.31527 
1 1 1 -22 6  22 o 390.2529 15.22372 36.39397       2.794707  38.60162       4.271760  34.74200       3.695252  397.3628 22.95109 378.1707 20.85300 19.19205       31.00968 
1 1 1 -22 6  23 o 271.8586 18.23467 17.91627       2.318394  15.87938       3.651388  19.29207       3.000903  248.3800 31.99552 279.7375 23.00909 -31.35756      39.40979 
1 1 1 -22 6  24 o 230.1335 20.68821 13.02636       2.215677  16.33577       3.682841  11.14903       2.773822  250.8532 31.93409 208.4077 29.08688 42.44553       43.19529 
1 1 1 -22 6  25 o 87.23056 34.27361 1.456771       2.057304  0.6736058      3.234273  1.989002       2.666244  93.28064 40.29711 98.60936 38.93042 -5.328720      56.03066 
1 1 1 -22 6  26 o 382.9798 16.95165 35.61406       3.053916  33.63404       4.537482  37.25373       4.129123  363.0511 26.75775 386.2539 22.82700 -23.20279      35.17171 
1 1 1 -22 6  27 o 337.4343 18.89227 28.08993       2.986717  24.31955       4.356777  31.43289       4.102402  302.2327 31.08794 350.9812 25.01124 -48.74857      39.90015 
1 1 1 -22 6  28 o 96.36526 39.70683 1.960590       2.907061  0.000000       0.000000  1.960590       2.907061  ?        ?        96.36526 39.70683 0.000000       39.70683 
1 1 1 -22 6  29 o 144.4176 40.88573 6.621324       2.903105  5.716410       6.285650  6.866700       3.273126  125.6687 55.19854 143.6572 44.15681 -17.98849      70.68736 
1 1 1 -22 6  30 o 213.8996 66.47479 23.02913       7.394806  23.02913       7.394806  0.000000       0.000000  213.8996 66.47479 ?        ?        0.000000       66.47479 
1 1 1 -22 6  31 o 131.6003 56.04940 9.967301       6.093518  9.967301       6.093518  0.000000       0.000000  131.6003 56.04940 ?        ?        0.000000       56.04940 
1 1 1 -22 6  32 o 76.51139 38.22573 -4.887040      5.675128  -4.887040      5.675128  0.000000       0.000000  76.51139 38.22573 ?        ?        0.000000       38.22573 
1 1 1 -22 8  1  o 810.7991 13.79170 154.8261       5.260178  158.7099       12.49083  153.9888       5.799513  818.4402 32.44404 808.4841 15.24933 9.956116       35.84910 
1 1 1 -22 8  2  o 620.0421 15.28729 90.57513       4.458831  101.2485       9.177263  87.27709       5.101411  654.0235 29.82981 608.4660 17.82316 45.55750       34.74886 
1 1 1 -22 8  3  o 547.9206 15.67231 70.73973       4.039429  66.99409       5.555711  74.94055       5.883613  532.7335 22.16973 563.4406 22.19865 -30.70709      31.37319 
1 1 1 -22 8  4  o 776.2787 14.66140 141.9686       5.353803  137.6604       7.191617  147.3246       8.018546  763.8649 20.01431 790.0264 21.57669 -26.16144      29.43002 
1 1 1 -22 8  5  o 485.5365 14.48186 55.54132       3.307621  52.81121       4.655774  58.32343       4.699902  473.0194 20.92395 497.1604 20.09662 -24.14102      29.01182 
1 1 1 -22 8  6  o 818.2333 13.66785 157.7191       5.260737  154.8445       6.593943  162.7527       8.725659  810.3550 17.29819 830.0850 22.34634 -19.72998      28.25927 
1 1 1 -22 8  7  o 395.7896 18.71458 36.96123       3.484285  36.96123       3.484285  0.000000       0.000000  395.7896 18.71458 ?        ?        0.000000       18.71458 
1 1 1 -22 8  8  o 409.9619 17.73691 39.65154       3.420509  50.14864       5.382375  32.54012       4.430140  459.6846 24.98498 369.9013 25.61795 89.78323       35.78447 
1 1 1 -22 8  9  o 735.0437 21.42030 127.6980       7.406415  130.7967       8.363701  116.4388       15.94294  743.4625 23.91498 693.1036 49.21912 50.35895       54.72156 
1 1 1 -22 8  10 o 592.1333 15.52816 82.70021       4.325226  81.65874       6.220454  83.67503       6.018149  587.4801 22.50918 594.8420 21.50760 -7.361877      31.13262 
1 1 1 -22 8  11 o 543.4603 12.31500 69.60497       3.148267  69.38580       3.790263  70.09260       5.653807  542.3583 14.85641 544.1616 22.08736 -1.803284      26.61887 
1 1 1 -22 8  12 o 730.4965 15.08941 125.9368       5.185132  125.9368       5.185132  0.000000       0.000000  730.4965 15.08941 ?        ?        0.000000       15.08941 
1 1 1 -22 8  13 o 743.4634 15.17156 130.5222       5.305902  136.8906       7.886256  125.2554       7.171872  759.7059 22.06765 726.9970 20.97155 32.70886       30.44318 
1 1 1 -22 8  14 o 193.2047 21.05250 8.960554       1.882364  8.285730       2.172941  10.98970       3.767986  184.7590 25.69769 209.6674 39.65669 -24.90839      47.25489 
1 1 1 -22 8  15 o 572.5350 12.25196 77.37476       3.299720  82.41805       4.414024  70.98627       4.967950  590.1780 15.89946 546.9409 19.30934 43.23718       25.01287 
1 1 1 -22 8  16 o 556.5981 12.54883 73.18938       3.285596  73.67158       4.291894  72.50671       5.106662  557.5657 16.36378 552.2233 19.65862 5.342407       25.57801 
1 1 1 -22 8  17 o 59.64798 28.45917 -2.833538      2.224597  -2.833538      2.224597  0.000000       0.000000  59.64798 28.45917 ?        ?        0.000000       28.45917 
1 1 1 -22 8  18 o 382.5779 14.10430 34.69243       2.538287  33.96752       3.508316  35.48871       3.676981  376.6354 19.87230 384.8227 20.38508 -8.187286      28.46857 
1 1 1 -22 8  19 o 298.2339 15.60526 21.20909       2.181649  21.26855       3.213483  21.15826       2.971359  296.2160 23.24880 296.0831 21.48016 0.1329041      31.65286 
1 1 1 -22 8  20 o 309.8541 15.83629 22.94402       2.300524  26.82108       3.484879  19.94942       3.062716  332.5252 22.40957 286.3664 22.92836 46.15887       32.06086 
1 1 1 -22 8  21 o 313.7997 22.18684 23.98600       3.253935  0.000000       0.000000  23.98600       3.253935  ?        ?        313.7997 22.18684 0.000000       22.18684 
1 1 1 -22 8  22 o 187.4440 23.75921 8.720562       2.047922  9.847458       3.489628  8.128570       2.529270  191.0087 40.11457 177.5204 31.43920 13.48836       50.96667 
1 1 1 -22 8  23 o 185.7542 24.67505 8.645372       2.102731  8.855718       3.608480  8.537224       2.587425  177.6118 43.52896 181.2570 31.48878 -3.645233      53.72442 
1 1 1 -22 8  24 o 70.65887 31.00326 -0.1520223     1.978323  1.780233       3.218409  -1.325505      2.508115  102.2341 41.91133 71.07287 32.68280 31.16121       53.14814 
1 1 1 -22 8  25 o 100.8835 40.97565 1.914956       3.040620  4.531614       3.385845  -8.989299      6.911808  127.4306 45.13860 93.29363 45.79763 34.13696       64.30331 
1 1 1 -22 8  26 o 132.5753 33.43572 4.831788       2.084852  6.911439       3.505145  3.693238       2.593502  151.0091 45.54933 115.6275 39.59989 35.38154       60.35638 
1 1 1 -22 8  27 o 137.4312 38.98428 5.543411       2.636678  5.056481       6.359943  5.644470       2.897400  131.5481 56.66897 137.1444 41.42287 -5.596283      70.19421 
1 1 1 -22 8  28 o 167.5615 37.43381 8.246841       2.876186  6.718193       6.435893  8.628329       3.215107  135.0108 57.55464 167.9846 41.03819 -32.97377      70.68713 
1 1 1 -22 8  29 o 163.9297 38.70336 8.282690       2.936700  1.364744       5.952059  10.50864       3.376266  105.5442 49.16149 183.7536 40.17976 -78.20946      63.49224 
1 1 1 -22 8  30 o 94.99190 40.67936 2.279054       3.241628  -3.977408      6.148264  4.687872       3.814960  87.25027 42.90408 113.7436 46.00283 -26.49338      62.90485 
1 1 1 -22 8  31 o 133.4833 46.60424 7.404692       3.600024  3.926873       5.723032  9.681927       4.631020  103.4971 48.20745 141.0484 52.37546 -37.55128      71.18390 
1 1 1 -22 10 1  o 854.4109 13.34007 171.9388       5.361596  189.4174       12.79212  168.2139       5.905328  894.1973 30.41164 844.9650 14.85717 49.23230       33.84677 
1 1 1 -22 10 2  o 1101.262 15.09099 285.7644       7.817672  273.8055       11.92398  294.7803       10.35336  1076.574 23.54550 1117.788 19.69031 -41.21387      30.69363 
1 1 1 -22 10 3  o 1128.433 16.14933 300.1393       8.572341  279.2603       10.29969  347.2057       15.46410  1087.831 20.12767 1211.323 27.13909 -123.4923      33.78836 
1 1 1 -22 10 4  o 402.7640 16.52665 38.24350       3.131157  37.34568       4.856327  38.88229       4.096301  396.4588 26.18748 405.2134 21.56775 -8.754669      33.92569 
1 1 1 -22 10 5  o 416.3428 17.82703 40.88715       3.491398  50.45761       6.319505  36.68253       4.188708  460.4754 29.32742 393.3549 22.73431 67.12057       37.10723 
1 1 1 -22 10 6  o 165.7689 30.40264 6.721128       2.283371  4.135052       3.301152  9.093342       3.161708  134.5815 44.67161 192.3676 36.27000 -57.78612      57.54186 
1 1 1 -22 10 7  o 1070.860 16.46680 270.4664       8.294902  270.4664       8.294902  0.000000       0.000000  1070.860 16.46680 ?        ?        0.000000       16.46680 
1 1 1 -22 10 8  f 431.4599 13.07252 43.86787       2.653194  39.75605       3.071815  55.94531       5.264601  410.5542 15.90579 486.2775 23.01505 -75.72324      27.97654 
1 1 1 -22 10 9  o 410.4745 15.57199 39.74654       3.006764  37.46045       3.742910  43.90607       5.048769  397.6060 20.07678 429.6891 25.08727 -32.08307      32.13173 
1 1 1 -22 10 10 f 637.4169 15.42152 95.87296       4.624024  102.8538       6.720288  89.59643       6.372295  659.1748 21.67295 615.1642 22.02092 44.01062       30.89721 
1 1 1 -22 10 11 f 359.6154 13.59255 30.50390       2.299368  29.78976       2.603224  33.03849       4.904263  355.2221 15.57909 371.4643 28.27886 -16.24219      32.28625 
1 1 1 -22 10 12 o 488.8030 13.19441 56.37029       3.033843  59.21051       3.584981  49.20398       5.694547  500.7102 15.22058 453.7309 26.79927 46.97937       30.81991 
1 1 1 -22 10 13 o 386.1035 13.69112 35.19771       2.486634  35.83634       2.843812  33.12362       5.124941  389.3772 15.52605 370.8296 29.62691 18.54758       33.44865 
1 1 1 -22 10 14 o 427.9762 13.85328 43.27685       2.788955  48.29518       3.318168  31.19940       5.147621  451.8326 15.61175 358.9606 30.78311 92.87195       34.51560 
1 1 1 -22 10 15 o 482.8289 17.46364 55.29451       3.966406  59.15577       5.577161  51.34280       5.642095  497.6090 23.82624 462.1952 26.05677 35.41385       35.30786 
1 1 1 -22 10 16 o 543.0132 13.99270 69.78876       3.574219  75.49643       4.323190  57.46136       6.353466  564.1551 16.29058 487.5101 27.82030 76.64499       32.23899 
1 1 1 -22 10 17 o 283.4841 19.38822 19.25307       2.569931  19.94244       2.808677  15.70749       6.369716  288.1278 20.86399 239.9673 57.23172 48.16046       60.91614 
1 1 1 -22 10 18 o 553.6605 17.75229 73.08930       4.623462  73.08930       4.623462  0.000000       0.000000  553.6605 17.75229 ?        ?        0.000000       17.75229 
1 1 1 -22 10 19 o 385.3328 14.73839 35.30853       2.671501  33.37271       3.607197  37.66016       3.975785  372.1184 20.68892 395.0011 21.47784 -22.88269      29.82162 
1 1 1 -22 10 20 o 83.99245 32.17739 1.301402       1.778939  0.7528043      2.925015  1.623435       2.241046  93.40845 39.26028 93.36314 36.02613 0.4531860E-01  53.28463 
1 1 1 -22 10 21 o 126.4345 31.56706 4.159834       1.871695  1.697594       3.023646  5.689456       2.383184  101.7876 41.02925 146.9105 34.98661 -45.12294      53.92089 
1 1 1 -22 10 22 o 125.6652 32.96219 4.164490       1.972689  8.175637       3.236025  1.792372       2.488547  173.0468 40.47513 96.68890 37.78052 76.35793       55.36789 
1 1 1 -22 10 23 o 97.69548 33.90687 2.327668       1.904234  2.004339       3.039709  2.536518       2.443020  103.2086 41.30119 103.8819 38.13660 -0.6733017     56.21555 
1 1 1 -22 10 24 o 264.0639 19.95199 17.09687       2.460070  14.75888       3.698237  18.95253       3.294746  236.1993 34.28667 274.4366 25.82552 -38.23726      42.92474 
1 1 1 -22 10 25 o 339.9655 17.39628 28.12074       2.772703  26.85545       4.257012  29.05300       3.654073  323.5818 28.25066 341.4775 22.88046 -17.89575      36.35402 
1 1 1 -22 10 26 o 157.0150 47.18807 7.673942       3.766949  7.673942       3.766949  0.000000       0.000000  157.0150 47.18807 ?        ?        0.000000       47.18807 
1 1 1 -22 10 27 o 109.8681 39.33286 3.387609       2.577399  6.412010       6.215157  2.759472       2.832431  136.9791 57.38313 103.9866 40.39638 32.99254       70.17614 
1 1 1 -22 10 28 o 274.2937 24.50211 19.56652       3.128188  18.27586       6.724795  19.92292       3.533796  208.6148 63.12846 273.0249 27.90731 -64.41010      69.02189 
1 1 1 -22 10 29 o 136.6214 43.48705 6.376185       3.146401  0.000000       0.000000  6.376185       3.146401  ?        ?        136.6214 43.48705 0.000000       43.48705 
1 1 1 -22 10 30 o 90.78195 40.41487 1.643629       3.480244  1.639418       6.101117  1.645660       4.237235  100.3265 47.65819 94.21753 43.00857 6.109009       64.19533 
1 1 1 -22 10 31 o 139.0109 47.69234 8.426774       3.762149  12.37218       6.302397  6.242569       4.689285  136.2596 57.46875 113.4714 48.76875 22.78819       75.37273 
1 1 1 -22 12 1  o 432.8525 14.55152 44.15223       2.962905  48.66231       7.191377  43.23011       3.251722  451.2331 34.13233 428.2139 16.14297 23.01917       37.75727 
1 1 1 -22 12 2  o 83.65159 33.02280 0.9251522      1.918317  -2.120979      4.512458  1.597096       2.119362  100.8319 45.36653 94.50249 35.36437 6.329399       57.52183 
1 1 1 -22 12 3  o 651.9272 23.92507 100.5144       7.337053  100.5144       7.337053  0.000000       0.000000  651.9272 23.92507 ?        ?        0.000000       23.92507 
1 1 1 -22 12 4  o 602.3997 14.47494 85.53175       4.101764  81.31670       5.627475  90.30917       5.991129  586.7592 20.38846 618.3256 20.59787 -31.56641      28.98209 
1 1 1 -22 12 5  o 592.2380 14.37550 82.67760       4.004871  79.69530       5.494365  86.05827       5.849817  580.8478 20.10879 603.5256 20.60522 -22.67786      28.79129 
1 1 1 -22 12 6  o 702.5698 17.01033 116.4796       5.621749  116.4796       5.621749  0.000000       0.000000  702.5698 17.01033 ?        ?        0.000000       17.01033 
1 1 1 -22 12 7  o 447.8764 14.07867 47.29524       2.966123  46.50830       3.655911  48.81094       5.073775  443.8384 17.51061 453.3433 23.87638 -9.504944      29.60917 
1 1 1 -22 12 8  o 589.0508 12.49217 81.78246       3.461465  80.36755       4.038257  85.70155       6.720813  583.6959 14.70747 601.3449 23.75904 -17.64905      27.94283 
1 1 1 -22 12 9  o 866.0631 14.59218 176.9797       5.944825  178.2165       7.351752  174.6433       10.10472  868.3636 17.99782 857.6744 25.04566 10.68921       30.84164 
1 1 1 -22 12 10 o 780.3378 14.13388 143.7025       5.188160  147.0699       6.277377  136.4447       9.215888  788.8553 16.91654 757.3969 25.86690 31.45837       30.90737 
1 1 1 -22 12 11 o 312.8332 15.02510 23.11671       2.211055  21.36332       2.486944  29.73019       4.829941  299.9733 17.70284 351.4623 29.48669 -51.48907      34.39266 
1 1 1 -22 12 12 o 258.0471 21.56254 15.92555       2.593406  16.64685       3.018328  13.89106       5.069136  263.2080 24.66567 233.5534 47.75138 29.65462       53.74561 
1 1 1 -22 12 13 o 405.6237 13.97150 38.88431       2.665849  40.19848       3.031597  34.40243       5.598551  412.1716 15.63595 376.4982 31.91167 35.67334       35.53642 
1 1 1 -22 12 14 o 789.3611 13.47489 147.3019       5.003459  156.8279       6.209323  129.6642       8.449069  813.5539 16.22515 736.3393 24.39280 77.21460       29.29614 
1 1 1 -22 12 15 o 673.3196 13.64025 107.2713       4.320292  115.0969       5.268669  91.20943       7.548099  696.6380 16.07772 616.0185 26.04801 80.61951       30.61032 
1 1 1 -22 12 16 o 490.8720 15.43936 57.17432       3.565060  57.81464       3.875948  53.65636       9.085039  493.2441 16.70501 460.9630 42.37218 32.28113       45.54623 
1 1 1 -22 12 17 o 129.3598 35.86506 4.283099       2.258391  5.168474       2.438459  -1.056183      5.988160  141.6440 36.40013 117.9132 52.71460 23.73078       64.06090 
1 1 1 -22 12 18 o 299.5917 17.20837 21.48547       2.414971  22.81715       3.131029  19.52981       3.794330  307.1713 21.81070 281.0366 29.12417 26.13474       36.38577 
1 1 1 -22 12 19 o 502.7067 14.41068 60.13495       3.407756  60.77937       4.565063  59.32392       5.121356  503.0919 19.28991 495.5195 21.97126 7.572388       29.23759 
1 1 1 -22 12 20 o 274.2270 22.91479 18.39311       2.928853  17.84780       5.054796  18.66872       3.593557  258.2683 43.12754 273.5736 28.33503 -15.30533      51.60289 
1 1 1 -22 12 21 o 250.4656 20.01893 15.26367       2.338912  11.73123       3.335056  18.68263       3.281048  212.4306 34.56297 274.4148 25.71766 -61.98415      43.08128 
1 1 1 -22 12 22 o 121.5651 40.07575 3.893430       2.658509  0.000000       0.000000  3.893430       2.658509  ?        ?        121.5651 40.07575 0.000000       40.07575 
1 1 1 -22 12 23 o 293.1286 19.11567 20.93064       2.621402  14.55978       3.656659  27.66647       3.759941  235.5863 33.97875 333.9069 24.09986 -98.32056      41.65763 
1 1 1 -22 12 24 o 192.6131 24.74794 9.369434       2.190435  8.474253       3.442766  9.978266       2.839230  172.0766 42.72793 194.5497 32.14701 -22.47313      53.47061 
1 1 1 -22 12 25 f 353.3698 17.26852 30.34905       2.870476  30.33983       4.481002  30.35547       3.738160  343.6031 27.96619 348.5293 22.92876 -4.926208      36.16402 
1 1 1 -22 12 26 o 105.4552 46.96984 1.116334       4.706845  -1.171819      6.277451  4.054697       7.113666  106.1946 49.79677 129.6975 57.75708 -23.50287      76.26007 
1 1 1 -22 12 27 o 100.2998 38.27462 2.619052       2.510821  0.2919739      5.868687  3.140439       2.777894  105.9530 49.17158 106.7645 40.37420 -0.8114471     63.62327 
1 1 1 -22 12 28 o 364.8167 51.94183 46.22474       8.662052  46.22474       8.662052  0.000000       0.000000  364.8167 51.94183 ?        ?        0.000000       51.94183 
1 1 1 -22 12 29 o 255.3664 35.81356 19.61019       4.183796  2.913793       7.230469  28.01427       5.129797  109.8804 52.10438 303.9460 36.61541 -194.0657      63.68324 
1 1 1 -22 12 30 o 211.6355 41.16339 15.14022       3.950438  11.87277       6.107087  17.49108       5.180171  142.4061 57.98192 204.4800 53.30792 -62.07391      78.76318 
1 1 1 -22 14 1  o 321.8972 17.62338 24.52983       2.658418  31.98573       6.700703  23.13704       2.896094  363.4398 39.84734 312.3224 19.81504 51.11734       44.50220 
1 1 1 -22 14 2  o 635.9924 13.61147 95.34219       4.072174  87.31406       6.932473  99.57159       5.031770  607.1953 24.27116 649.6196 16.46616 -42.42438      29.32957 
1 1 1 -22 14 3  o 472.1519 14.24198 52.56222       3.163161  50.45951       5.858821  53.42730       3.757923  460.3353 27.17670 475.7930 16.79038 -15.45770      31.94510 
1 1 1 -22 14 4  o 131.0518 35.25928 4.242901       2.221273  6.195002       3.820612  3.246136       2.730099  158.9051 47.47044 120.1928 40.63194 38.71229       62.48517 
1 1 1 -22 14 5  o 707.0146 14.25314 117.8951       4.740325  121.7077       6.446542  113.4067       6.994612  717.5690 19.09826 692.2128 21.48101 25.35620       28.74331 
1 1 1 -22 14 6  o 331.6507 23.43761 26.20433       3.632939  26.20433       3.632939  0.000000       0.000000  331.6507 23.43761 ?        ?        0.000000       23.43761 
1 1 1 -22 14 7  o 545.2581 13.22964 70.11979       3.393279  68.13913       4.094260  74.46493       6.064183  537.1324 16.20409 560.3395 23.00656 -23.20709      28.14026 
1 1 1 -22 14 8  o 413.3854 13.95997 40.32801       2.714619  39.71212       3.206979  41.88467       5.098526  409.9289 16.63099 418.7799 26.01009 -8.851074      30.87255 
1 1 1 -22 14 9  o 549.4324 14.29430 71.27676       3.694421  68.76852       4.358785  77.67539       6.961843  539.2150 17.18439 571.0479 25.91686 -31.83282      31.09641 
1 1 1 -22 14 10 o 347.6611 16.52624 28.59212       2.702711  29.03645       3.140909  27.32462       5.304918  349.4921 19.17838 335.1504 34.12486 14.34174       39.14481 
1 1 1 -22 14 11 o 511.9502 21.22752 62.29717       5.112064  69.17361       7.386317  55.97504       7.082359  536.1395 29.39956 481.3222 31.45339 54.81726       43.05403 
1 1 1 -22 14 12 o 95.35565 31.45697 2.107035       1.637877  2.585878       1.767001  -0.8147340     4.364790  103.7411 32.53647 103.9691 45.82181 -0.2280197     56.19840 
1 1 1 -22 14 13 o 469.1101 13.20582 52.02638       2.914135  52.71058       3.288968  49.52747       6.285584  471.8712 14.81722 452.1159 29.72031 19.75537       33.20914 
1 1 1 -22 14 14 o 385.4366 15.88404 35.23622       2.879939  35.23622       2.879939  0.000000       0.000000  385.4366 15.88404 ?        ?        0.000000       15.88404 
1 1 1 -22 14 15 o 151.5988 29.66869 5.761362       2.039994  5.452588       2.086067  12.52081       9.760305  147.0116 31.13445 211.6284 76.44873 -64.61679      82.54552 
1 1 1 -22 14 16 o 435.1476 17.12293 45.09767       3.504967  45.09767       3.504967  0.000000       0.000000  435.1476 17.12293 ?        ?        0.000000       17.12293 
1 1 1 -22 14 17 o 92.15577 34.34762 1.705081       1.995305  2.154932       2.203644  -0.3421983     4.701056  99.84882 36.28599 107.7009 47.50579 -7.852104      59.77853 
1 1 1 -22 14 18 o 270.4706 21.75459 17.75701       2.744424  18.35468       3.017767  14.89893       6.599167  274.2627 23.62148 225.4778 60.81998 48.78491       65.24603 
1 1 1 -22 14 19 o 227.6234 28.77539 12.97060       3.012285  20.02378       4.946632  8.813512       3.797619  277.2319 39.01030 179.5049 45.04652 97.72699       59.59020 
1 1 1 -22 14 20 o 223.9129 23.35943 12.34022       2.424205  11.90289       3.259834  12.88132       3.626013  215.1498 33.28418 222.5267 35.85859 -7.376907      48.92520 
1 1 1 -22 14 21 o 58.02771 27.68469 -2.497194      2.104597  -3.352871      2.845753  -1.464191      3.126750  66.85450 31.97790 80.35640 36.78151 -13.50190      48.73875 
1 1 1 -22 14 22 o 238.1155 26.20530 14.22028       2.886676  17.16409       4.428402  12.04519       3.806555  253.5572 38.32369 210.6966 39.86668 42.86057       55.29971 
1 1 1 -22 14 23 o 73.24823 34.85171 -3.213814      3.288341  -3.469085      3.731583  -2.326694      6.956376  78.09513 37.14861 112.6042 52.68040 -34.50904      64.46117 
1 1 1 -22 14 24 o 410.0324 21.99319 41.64357       4.226576  0.000000       0.000000  41.64357       4.226576  ?        ?        410.0324 21.99319 0.000000       21.99319 
1 1 1 -22 14 25 o 137.3201 40.84503 5.513527       2.833098  0.000000       0.000000  5.513527       2.833098  ?        ?        137.3201 40.84503 0.000000       40.84503 
1 1 1 -22 14 26 o 124.5381 39.85110 4.594268       2.639585  7.095719       6.308665  4.063423       2.906200  141.0178 58.33574 117.8504 41.81139 23.16736       71.77222 
1 1 1 -22 14 27 o 136.8781 39.92181 5.793252       2.729092  9.964329       6.559672  4.920157       3.001159  150.7779 60.55336 124.6542 42.59904 26.12375       74.03639 
1 1 1 -22 14 28 f 90.46247 39.12672 1.501328       3.056518  4.316290       5.757291  0.3965518      3.606776  115.6075 51.68579 87.66586 39.88671 27.94164       65.28683 
1 1 1 -22 14 29 o 283.8650 30.63672 23.19351       4.026087  9.693818       5.936476  34.69085       5.478547  136.0233 56.45516 338.5652 34.89996 -202.5419      66.37162 
1 1 1 -22 16 1  o 553.9760 15.98146 72.45737       4.164631  61.21370       6.395056  80.73722       5.487842  506.7159 26.92601 584.1460 19.97151 -77.43015      33.52419 
1 1 1 -22 16 2  o 341.5136 16.47088 27.54645       2.646026  29.44839       5.430349  26.95427       3.030078  349.3303 33.45543 337.0353 19.19153 12.29495       38.56917 
1 1 1 -22 16 3  o 646.0673 13.53532 98.46074       4.113537  97.93714       7.094104  98.72597       5.049012  642.4692 23.47339 646.4614 16.60330 -3.992126      28.75187 
1 1 1 -22 16 4  o 788.2591 14.59407 146.6631       5.411464  139.8685       6.922099  157.3425       8.678178  768.8019 19.14053 814.4205 22.65221 -45.61853      29.65607 
1 1 1 -22 16 5  o 328.4566 27.36396 25.88026       4.189445  25.88026       4.189445  0.000000       0.000000  328.4566 27.36396 ?        ?        0.000000       27.36396 
1 1 1 -22 16 6  o 192.8217 26.46972 9.018398       2.337558  11.46076       3.177771  6.138525       3.450678  216.4254 32.19418 156.5581 44.66326 59.86728       55.05698 
1 1 1 -22 16 7  o 455.8325 14.59745 49.08092       3.130052  49.49421       3.730233  48.09751       5.754069  457.3457 17.33892 448.0202 27.43503 9.325470       32.45488 
1 1 1 -22 16 8  o 596.6633 12.98754 84.04094       3.645235  86.72396       4.306355  77.25922       6.846495  605.7200 15.11362 569.0927 25.57502 36.62732       29.70696 
1 1 1 -22 16 9  o 437.3572 15.19383 45.23621       3.125884  44.05401       3.664474  48.39477       5.989759  431.1178 18.06951 448.4341 28.54345 -17.31625      33.78218 
1 1 1 -22 16 10 o 545.1423 14.25272 70.26669       3.654911  71.64985       4.306731  66.70631       6.909703  549.9550 16.64759 526.5090 27.99936 23.44592       32.57462 
1 1 1 -22 16 11 o 209.8791 37.36366 11.05794       3.553609  5.597504       4.858022  17.34245       5.211725  154.0184 54.11752 261.4200 43.94001 -107.4016      69.70961 
1 1 1 -22 16 12 o 261.1379 15.35004 16.21358       1.877305  16.29701       1.983493  15.49643       5.815512  261.6529 16.19481 242.3706 52.52480 19.28226       54.96478 
1 1 1 -22 16 13 o 550.9954 13.08484 71.83858       3.391452  71.45853       3.871409  73.09258       7.032338  549.0200 14.99035 550.3276 27.16496 -1.307678      31.02653 
1 1 1 -22 16 14 o 230.6928 19.24926 12.78417       2.069821  13.28724       2.241895  9.879264       5.387228  234.8955 20.49479 190.5721 56.23532 44.32339       59.85355 
1 1 1 -22 16 15 o 252.8355 19.06409 15.35799       2.250696  16.80382       2.463238  8.047873       5.538719  264.2707 19.96199 173.1431 57.87715 91.12755       61.22291 
1 1 1 -22 16 16 o 363.2770 16.08858 31.43188       2.749318  32.62630       3.081357  26.76851       6.088537  369.6231 17.72203 322.4016 41.07975 47.22150       44.73942 
1 1 1 -22 16 17 o 80.41688 33.18842 0.6420825      2.035012  -0.8675770E-01 2.164380  6.197979       5.975778  75.78090 32.85072 157.0908 59.26220 -81.30988      67.75823 
1 1 1 -22 16 18 o 109.7939 37.73608 2.914746       2.355847  3.083834       2.572811  2.037158       5.861336  113.1299 39.40385 129.2189 55.00163 -16.08907      67.65976 
1 1 1 -22 16 19 o 457.9037 16.66342 50.18930       3.589283  63.92043       4.620795  29.30115       5.699195  515.3788 19.05991 337.4661 36.48220 177.9127       41.16104 
1 1 1 -22 16 20 o 490.6827 15.97793 57.64112       3.687998  70.68310       4.897629  40.56065       5.604850  541.2346 19.23672 402.0222 29.85079 139.2124       35.51227 
1 1 1 -22 16 21 o 300.4382 19.37716 21.93226       2.723910  24.17751       3.733805  19.37782       3.982601  311.8173 25.68400 275.3676 31.30195 36.44962       40.49049 
1 1 1 -22 16 22 o 149.1786 34.31920 5.962419       2.358198  10.29325       3.338705  1.650776       3.331300  195.0647 37.75024 102.5417 42.40270 92.52307       56.77209 
1 1 1 -22 16 23 f 465.1527 18.61964 52.64557       4.074141  54.54816       6.627656  51.48992       5.165333  459.5792 30.83574 454.2354 24.26176 5.343811       39.23616 
1 1 1 -22 16 24 o 133.5564 37.76225 5.048667       2.478130  8.175791       3.673177  2.436261       3.357297  164.3782 45.79877 106.5056 43.12733 57.87260       62.90862 
1 1 1 -22 16 25 o 220.6167 30.07152 12.96446       3.039479  13.10345       6.368458  12.92347       3.458842  183.8925 62.05819 215.7440 35.30317 -31.85152      71.39701 
1 1 1 -22 16 26 o 163.1471 36.96692 7.781601       2.771360  9.346019       5.946518  7.347529       3.132330  152.2559 58.70313 153.6340 42.09575 -1.378174      72.23649 
1 1 1 -22 16 27 o 106.8937 45.61101 3.041856       4.048768  0.2063020      5.352524  6.834126       6.189982  98.95464 46.26777 130.0884 55.97381 -31.13377      72.62075 
1 1 1 -22 16 28 o 91.18978 39.64487 1.724211       3.170452  3.947682       5.433080  0.5760999      3.904113  110.3439 49.70040 89.02775 40.87897 21.31619       64.35231 
1 1 1 -22 18 1  o 513.8127 15.78414 62.39235       3.815004  71.53250       6.549754  57.69917       4.693335  548.0816 25.40449 493.3539 20.22338 54.72769       32.47111 
1 1 1 -22 18 2  o 263.9029 21.33835 16.63275       2.626287  19.60149       5.030177  15.52022       3.079314  282.0771 38.94831 253.8784 26.15914 28.19873       46.91771 
1 1 1 -22 18 3  f 121.1175 37.37172 3.554722       2.341962  4.446527       4.397092  3.201546       2.767108  143.0516 51.35732 119.2051 40.90165 23.84650       65.65455 
1 1 1 -22 18 4  o 103.6499 37.32175 2.222317       2.323742  6.416486       3.825495  -0.2301427     2.925268  159.8784 47.44168 88.50452 38.27866 71.37393       60.95875 
1 1 1 -22 18 5  o 214.3018 38.36915 11.46105       3.725883  11.46105       3.725883  0.000000       0.000000  214.3018 38.36915 ?        ?        0.000000       38.36915 
1 1 1 -22 18 6  o 320.2870 18.28328 24.39566       2.743205  23.42021       3.467076  26.02854       4.485755  312.6111 23.75475 328.1035 29.37489 -15.49234      37.77793 
1 1 1 -22 18 7  o 536.3828 14.35752 68.02054       3.622627  68.80409       4.390598  66.34959       6.411672  538.8291 17.32221 526.7008 25.87843 12.12830       31.14084 
1 1 1 -22 18 8  o 131.9751 36.10340 4.378391       2.306184  6.058102       2.743852  0.3365042      4.256331  154.5396 38.00790 109.4394 46.73310 45.10020       60.23772 
1 1 1 -22 18 9  o 407.8770 15.47261 39.40263       2.968671  40.96262       3.462880  35.07729       5.766155  415.4233 17.72055 379.0511 32.65722 36.37219       37.15524 
1 1 1 -22 18 10 o 516.3230 21.64113 63.63322       5.256185  55.26160       7.215631  73.09751       7.672086  475.8581 32.42829 549.0554 29.81670 -73.19727      44.05257 
1 1 1 -22 18 11 o 263.3210 22.15859 16.69595       2.719200  17.26516       3.067011  14.60464       5.878788  267.0686 24.69263 233.4288 54.52395 33.63985       59.85472 
1 1 1 -22 18 12 o 253.5284 15.93349 15.32120       1.890569  15.10658       2.000381  17.11653       5.785645  251.5067 17.00803 254.5351 50.10466 -3.028366      52.91267 
1 1 1 -22 18 13 o 375.8935 13.09036 33.46755       2.314652  33.09935       2.460698  36.29608       6.820186  373.6317 14.00056 379.6801 38.72866 -6.048401      41.18161 
1 1 1 -22 18 14 o 293.1646 16.18861 20.51184       2.223843  20.51184       2.223843  0.000000       0.000000  293.1646 16.18861 ?        ?        0.000000       16.18861 
1 1 1 -22 18 15 o 393.8527 16.21706 36.95036       3.004521  36.95036       3.004521  0.000000       0.000000  393.8527 16.21706 ?        ?        0.000000       16.21706 
1 1 1 -22 18 16 o 264.8771 18.55342 16.87594       2.297138  16.84665       2.513547  17.02442       5.658910  264.0397 20.39521 250.1770 49.83621 13.86278       53.84805 
1 1 1 -22 18 17 o 247.9908 20.58388 14.90431       2.379517  16.03790       2.609610  9.313103       5.795627  256.8554 21.80422 180.2674 59.15918 76.58798       63.04945 
1 1 1 -22 18 18 o 100.2209 40.30334 1.596046       2.910193  2.126338       3.484764  0.3737468      5.290595  110.3607 44.20087 115.3706 50.65907 -5.009956      67.23138 
1 1 1 -22 18 19 o 117.6800 38.66846 3.548343       2.475820  1.977631       2.625309  16.17420       7.443249  100.5173 38.93503 225.6587 65.96271 -125.1414      76.59644 
1 1 1 -22 18 20 o 223.1567 26.56686 12.47901       2.734004  11.86094       3.173710  14.25753       5.383627  214.3525 32.49400 220.8062 52.58487 -6.453674      61.81447 
1 1 1 -22 18 21 o 148.4000 37.88643 6.014690       2.653870  5.855288       2.995541  6.596314       5.722013  144.9179 41.69873 151.2931 57.76895 -6.375214      71.24630 
1 1 1 -22 18 22 o 203.6237 28.76159 10.68154       2.678241  10.15780       3.386652  11.55593       4.375888  191.9539 38.83989 197.9866 47.57679 -6.032730      61.41732 
1 1 1 -22 18 23 o 391.5854 21.37650 37.98375       3.922717  45.92747       6.509858  33.45492       4.915331  415.8612 33.56368 359.5717 29.31531 56.28946       44.56353 
1 1 1 -22 18 24 o 113.1201 42.27745 3.483522       3.027052  7.651606       5.846621  1.957046       3.538195  147.9398 57.88083 102.6584 43.16558 45.28143       72.20428 
1 1 1 -22 18 25 o 161.6552 41.54410 7.980517       3.176274  5.927468       5.880414  8.826257       3.774214  132.4761 55.67282 164.9782 46.58707 -32.50209      72.59351 
1 1 1 -22 18 26 o 84.19151 36.99503 0.6878269      2.825961  7.074912       5.606284  -1.487861      3.272066  134.2144 55.20277 76.47469 35.88966 57.73971       65.84386 
1 1 1 -22 20 1  o 388.3689 15.85143 35.69077       2.895891  33.59256       5.544909  36.47772       3.395802  372.0799 31.99137 392.2153 18.40554 -20.13541      36.90815 
1 1 1 -22 20 2  f 114.8617 38.76800 3.039839       2.485326  -2.745228      4.669090  5.326992       2.935795  98.24237 44.96051 145.4144 41.09689 -47.17206      60.91307 
1 1 1 -22 20 3  o 311.5342 20.57853 23.17052       2.998722  21.08456       4.856358  24.45601       3.812336  292.6265 36.04172 318.8217 25.63665 -26.19516      44.22944 
1 1 1 -22 20 5  o 368.7426 26.28039 32.74568       4.528696  32.74568       4.528696  0.000000       0.000000  368.7426 26.28039 ?        ?        0.000000       26.28039 
1 1 1 -22 20 6  o 312.4627 19.63544 23.30889       2.871403  26.18737       3.718022  19.05470       4.520001  330.0638 24.11353 277.6271 35.41735 52.43668       42.84683 
1 1 1 -22 20 7  o 421.3545 16.44942 42.10440       3.260375  42.25920       3.994621  41.79549       5.642915  421.2584 20.15848 415.2549 29.07152 6.003540       35.37679 
1 1 1 -22 20 8  o 232.5361 23.22930 13.06266       2.506948  13.86328       2.913906  10.78181       4.918266  238.7357 26.38828 201.7944 51.60785 36.94135       57.96302 
1 1 1 -22 20 9  o 96.69641 34.72743 1.987252       2.010677  3.041044       2.211582  -3.035077      4.828120  112.3875 36.52824 97.88538 45.13445 14.50209       58.06403 
1 1 1 -22 20 10 f 290.2832 29.69485 20.65351       3.997746  19.96433       5.387144  21.49822       5.964112  279.7809 42.24890 288.8646 45.38841 -9.083710      62.00869 
1 1 1 -22 20 11 o 106.3869 34.95356 2.710213       2.022986  2.925622       2.210672  1.600773       5.017002  110.4905 36.55050 123.4158 51.61689 -12.92527      63.24747 
1 1 1 -22 20 12 o 278.5462 14.57690 18.46004       1.903354  17.31100       1.996380  29.93460       6.308746  269.4363 15.82076 343.7428 39.74892 -74.30655      42.78169 
1 1 1 -22 20 13 o 132.5891 26.89215 4.409604       1.619900  4.409604       1.619900  0.000000       0.000000  132.5891 26.89215 ?        ?        0.000000       26.89215 
1 1 1 -22 20 14 o 263.0580 15.64492 16.52106       1.927221  16.99350       2.024803  11.97087       6.283760  266.6599 16.21898 204.7525 60.81358 61.90738       62.93924 
1 1 1 -22 20 15 o 262.2306 16.16515 16.44913       1.984312  17.82758       2.119365  6.655767       5.649074  272.9178 16.58704 160.1958 58.11562 112.7220       60.43638 
1 1 1 -22 20 16 o 333.4886 14.87832 26.47904       2.334018  27.41868       2.558137  21.81040       5.702155  339.0204 16.04090 287.5870 43.50999 51.43335       46.37273 
1 1 1 -22 20 17 o 265.0353 26.52180 17.37450       3.262173  20.67479       4.083928  11.55657       5.422326  287.0144 30.72592 199.8007 55.63671 87.21373       63.55727 
1 1 1 -22 20 18 f 203.5033 26.81415 10.35758       2.504369  12.03322       2.830051  4.308441       5.377145  218.9468 28.12859 138.3534 55.07479 80.59340       61.84214 
1 1 1 -22 20 19 o 422.3394 18.55240 43.03471       3.685794  47.50426       4.152009  26.41796       8.005700  442.8731 19.93011 295.7330 59.60696 147.1401       62.85061 
1 1 1 -22 20 20 o 192.4481 32.45861 9.670852       2.833869  14.65818       3.360785  -2.599840      5.271587  238.9213 30.60674 98.98293 46.15902 139.9384       55.38437 
1 1 1 -22 20 21 o 316.5133 22.10166 24.76474       3.270027  31.85344       4.211287  14.00053       5.189465  356.5468 25.27273 214.5500 51.96894 141.9968       57.78825 
1 1 1 -22 20 22 o 135.0785 40.57679 5.227141       2.785828  5.090930       3.537482  5.449553       4.520299  132.2699 46.19669 136.0479 51.48950 -3.778061      69.17588 
1 1 1 -22 20 23 o 142.8382 40.62540 6.010396       2.859433  8.577507       3.853144  2.863700       4.265996  165.4317 47.19652 113.5237 47.54828 51.90803       66.99516 
1 1 1 -22 20 24 o 181.1402 48.71053 10.76858       4.240651  0.000000       0.000000  10.76858       4.240651  ?        ?        181.1402 48.71053 0.000000       48.71053 
1 1 1 -22 22 1  o 553.7081 14.71241 72.55456       3.832077  72.44923       6.697546  72.60582       4.672460  549.7905 25.89698 553.0757 17.95940 -3.285217      31.51498 
1 1 1 -22 22 2  o 364.0403 17.12876 31.43554       2.933220  27.51050       5.242587  33.22413       3.538983  334.9956 33.72746 373.1017 20.23997 -38.10617      39.33444 
1 1 1 -22 22 3  o 194.5936 27.87612 9.282818       2.478803  7.089194       4.142587  10.50631       3.093789  165.9204 49.39939 205.6898 33.09750 -39.76944      59.46212 
1 1 1 -22 22 4  o 260.4611 35.23297 16.82501       4.205999  16.82501       4.205999  0.000000       0.000000  260.4611 35.23297 ?        ?        0.000000       35.23297 
1 1 1 -22 22 5  o 409.5485 18.58961 39.88328       3.581335  39.48675       4.565998  40.51725       5.773365  405.3556 24.05346 408.1212 30.28862 -2.765594      38.67777 
1 1 1 -22 22 6  o 143.2226 36.83724 5.225940       2.495883  4.300828       2.966582  7.467301       4.617586  132.0033 42.24826 169.5507 52.50246 -37.54736      67.39008 
1 1 1 -22 22 7  o 243.6105 23.49472 14.34580       2.658991  14.75891       3.084610  13.15101       5.245828  246.0482 27.10023 222.8209 51.13240 23.22731       57.87007 
1 1 1 -22 22 8  o 384.3793 17.43190 35.12797       3.151911  35.37976       3.652485  34.39358       6.237830  384.5201 20.26451 372.3433 36.06606 12.17679       41.36921 
1 1 1 -22 22 9  o 683.4904 20.62757 111.6268       6.632079  107.4316       9.154641  116.2604       9.621086  665.2698 29.25325 691.8375 29.56315 -26.56769      41.59005 
1 1 1 -22 22 10 o 181.9977 27.11234 8.174506       2.250291  8.169394       2.508214  8.195601       5.094756  180.8451 30.57400 175.2617 55.28923 5.583328       63.17965 
1 1 1 -22 22 11 o 322.2569 18.70087 24.86151       2.822680  25.79657       3.144890  20.98692       6.401761  327.7064 20.50414 281.2401 50.23286 46.46628       54.25643 
1 1 1 -22 22 12 o 490.2420 15.54012 57.13470       3.583722  64.17651       4.113540  34.95839       7.299923  519.0925 16.84619 368.8904 42.86726 150.2022       46.05862 
1 1 1 -22 22 13 o 485.5640 13.21823 55.91683       3.019180  55.91683       3.019180  0.000000       0.000000  485.5640 13.21823 ?        ?        0.000000       13.21823 
1 1 1 -22 22 14 o 387.8303 13.80265 35.72511       2.518104  36.11447       2.673731  32.66945       7.490129  389.7170 14.58475 351.6472 46.41498 38.06976       48.65249 
1 1 1 -22 22 15 o 340.8858 14.62830 27.66014       2.345698  27.32848       2.487594  30.32105       7.046032  338.5537 15.62006 337.9761 45.47287 0.5776062      48.08085 
1 1 1 -22 22 16 o 218.1321 20.14260 11.56098       2.043485  11.68065       2.159062  10.53211       6.330605  218.8818 21.23664 187.8400 61.83828 31.04182       65.38324 
1 1 1 -22 22 17 o 287.9256 17.69313 19.98518       2.384767  20.54464       2.562819  16.37337       6.511693  291.4920 18.79065 233.2699 59.23333 58.22212       62.14239 
1 1 1 -22 22 18 o 125.6414 41.12262 4.189054       2.801074  4.189054       2.801074  0.000000       0.000000  125.6414 41.12262 ?        ?        0.000000       41.12262 
1 1 1 -22 22 19 o 402.5594 22.85911 39.93087       4.310861  39.93087       4.310861  0.000000       0.000000  402.5594 22.85911 ?        ?        0.000000       22.85911 
1 1 1 -22 22 20 o 424.2596 20.87644 44.12491       4.166366  51.14037       4.959273  27.29489       7.681259  453.9924 23.30052 295.2602 57.37140 158.7322       61.92246 
1 1 1 -22 22 21 o 184.3043 35.56808 9.298937       2.971946  10.43870       3.869830  7.660213       4.640214  188.3417 44.40326 154.7572 52.96891 33.58444       69.11841 
1 1 1 -22 22 22 f 92.89939 38.82511 1.404153       2.835513  6.656664       3.750434  -5.604402      4.332237  145.4715 47.58239 75.96626 37.07195 69.50522       60.31926 
1 1 1 -22 24 1  o 480.5098 15.94593 54.72587       3.604304  59.23028       6.322250  52.55696       4.387058  495.5665 27.22503 469.9017 19.84710 25.66483       33.69139 
1 1 1 -22 24 2  o 199.5202 28.89250 9.787298       2.632771  10.59621       4.910557  9.460975       3.118931  200.3773 51.73906 194.0896 35.46829 6.287659       62.72902 
1 1 1 -22 24 3  o 550.3067 15.50272 71.77313       4.013120  65.72446       6.079471  76.44422       5.342499  523.5623 24.68471 566.4862 20.04868 -42.92389      31.80070 
1 1 1 -22 24 4  o 104.0651 43.10412 1.016872       3.450654  1.016872       3.450654  0.000000       0.000000  104.0651 43.10412 ?        ?        0.000000       43.10412 
1 1 1 -22 24 5  o 75.72464 34.67156 -1.714272      2.781117  -3.919724      3.551485  1.782402       4.471867  77.09302 36.54527 120.3975 49.38565 -43.30445      61.43695 
1 1 1 -22 24 6  o 170.7395 34.50793 7.373834       2.676214  8.396604       3.188865  4.937575       4.921632  181.1632 38.60071 147.4113 54.12749 33.75192       66.48158 
1 1 1 -22 24 7  o 316.9723 19.48238 24.04760       2.890837  23.95030       3.359465  24.32521       5.674524  315.3258 22.80235 310.6144 39.74802 4.711395       45.82415 
1 1 1 -22 24 8  o 286.0573 20.04890 19.63626       2.680768  21.65662       3.052066  12.81510       5.607994  299.9565 21.77902 217.1455 54.87742 82.81099       59.04114 
1 1 1 -22 24 9  o 122.4640 35.33350 3.800548       2.148193  4.700552       2.325750  -1.427765      5.605594  135.4190 35.92065 112.7990 50.67429 22.61998       62.11423 
1 1 1 -22 24 10 o 176.2517 27.27295 7.699939       2.188154  8.696481       2.367149  1.848098       5.736198  187.3881 27.68822 130.2711 54.87854 57.11705       61.46781 
1 1 1 -22 24 11 o 64.23615 29.24110 -1.070095      1.941498  -1.503207      2.078157  1.901903       5.443805  63.96200 29.53411 127.6489 53.60111 -63.68695      61.19921 
1 1 1 -22 24 12 o 205.5080 19.44386 10.20532       1.857324  10.20532       1.857324  0.000000       0.000000  205.5080 19.44386 ?        ?        0.000000       19.44386 
1 1 1 -22 24 13 o 216.5947 18.43649 11.31299       1.860560  10.36144       1.947594  21.25149       6.294211  206.6765 20.29440 279.8743 49.62597 -73.19780      53.61529 
1 1 1 -22 24 14 o 201.1497 21.33443 9.871192       1.987876  9.990399       2.102936  8.870393       6.093232  201.9683 22.51805 175.8201 60.67376 26.14819       64.71760 
1 1 1 -22 24 15 o 329.7927 16.28610 26.01999       2.526547  26.28843       2.715142  24.28657       6.899529  330.6182 17.52060 294.5937 51.67251 36.02451       54.56207 
1 1 1 -22 24 16 o 334.0097 21.42737 27.20051       3.348884  30.08381       3.865232  18.51962       6.706760  350.0269 23.61298 248.3953 58.38436 101.6316       62.97862 
1 1 1 -22 24 17 o 193.1309 28.41288 9.492091       2.504140  11.21021       2.760951  1.524079       5.945756  209.9938 28.70154 123.1357 53.89521 86.85807       61.06122 
1 1 1 -22 24 18 o 250.5369 23.44736 15.59945       2.731207  16.59929       3.047292  11.51605       6.158281  257.2600 25.51761 187.1958 60.96017 70.06427       66.08548 
1 1 1 -22 24 19 o 87.76326 37.95691 0.4658636      2.876124  0.4658636      2.876124  0.000000       0.000000  87.76326 37.95691 ?        ?        0.000000       37.95691 
1 1 1 -22 24 20 o 104.0670 41.95323 2.292790       3.161786  1.379234       3.792281  4.375743       5.726281  102.0158 43.85144 130.6637 54.92617 -28.64793      70.28395 
1 1 1 -22 26 1  o 201.3478 29.46060 10.00419       2.707792  5.944962       4.304853  12.66167       3.483148  153.9198 51.00894 225.4384 33.89432 -71.51869      61.24326 
1 1 1 -22 26 2  o 258.4700 23.67272 16.14581       2.846271  8.965046       4.574257  20.68259       3.635878  183.9293 51.05968 291.7707 26.79023 -107.8413      57.66114 
1 1 1 -22 26 3  o 120.9307 42.83395 3.315238       3.048889  0.6639096      4.113976  6.545779       4.541168  108.8638 46.20056 159.9633 52.36051 -51.09949      69.82919 
1 1 1 -22 26 4  o 236.7151 26.65310 13.68127       2.916221  10.71646       3.462194  20.92152       5.410409  205.5400 37.17696 286.9824 41.26476 -81.44238      55.54194 
1 1 1 -22 26 5  o 267.7134 22.91575 17.31445       2.858037  16.49159       3.373163  19.40844       5.380993  259.5203 28.07868 275.0820 42.99143 -15.56168      51.34857 
1 1 1 -22 26 6  o 219.1812 25.93486 11.75065       2.622127  12.98074       3.056681  8.323425       5.102153  229.4737 28.96205 176.2735 55.28819 53.20018       62.41462 
1 1 1 -22 26 7  o 114.9828 38.95905 3.151887       2.509978  3.466738       2.827750  1.982462       5.449728  120.5880 41.34905 128.9841 53.85853 -8.396118      67.90056 
1 1 1 -22 26 8  o 138.9114 47.71661 4.784500       3.766540  1.960167       5.408849  7.443521       5.248168  128.0739 53.58246 167.4893 56.33689 -39.41536      77.74912 
1 1 1 -22 26 9  o 188.3208 27.91594 8.811500       2.398088  8.221384       2.678551  11.19501       5.383188  180.0195 32.84095 200.5172 55.28616 -20.49771      64.30464 
1 1 1 -22 26 10 o 50.14764 24.65620 -4.038836      2.028329  -2.644104      2.225101  -10.89477      4.933299  60.15106 28.63365 73.97202 36.74213 -13.82096      46.58186 
1 1 1 -22 26 11 o 384.2949 17.65465 35.32118       3.191486  36.96484       3.566689  28.71879       7.148426  392.4926 19.31810 327.6191 47.79129 64.87357       51.54800 
1 1 1 -22 26 12 o 314.3943 19.22154 23.83355       2.829052  23.07487       3.099011  27.62783       6.930408  308.3861 21.49730 320.1822 47.45057 -11.79608      52.09309 
1 1 1 -22 26 13 o 98.01657 32.55571 2.341306       1.753198  1.830639       1.832649  7.850773       6.019569  91.33162 33.10611 166.4957 60.05387 -75.16406      68.57464 
1 1 1 -22 26 14 o 147.6931 30.66733 5.637204       2.060922  7.230237       2.222994  -4.108205      5.498268  168.4268 29.11112 97.35887 45.94738 71.06790       54.39320 
1 1 1 -22 26 15 o 118.7070 37.63161 3.703363       2.357971  6.043468       2.608495  -6.753865      5.514176  149.8169 37.18726 88.65425 42.92939 61.16269       56.79635 
1 1 1 -22 26 16 o 68.63796 31.47136 -1.213587      2.302595  -0.7265753     2.570727  -3.189656      5.178300  76.10747 34.24220 95.80989 45.02311 -19.70242      56.56508 
1 1 1 -22 26 17 o 165.1361 33.67933 7.290770       2.527561  8.031187       2.861712  4.664091       5.390030  171.8092 36.53326 135.1802 54.67798 36.62903       65.75987 
1 1 1 -22 28 1  o 146.3393 36.25829 5.502629       2.483176  1.139904       3.455909  10.15913       3.570370  104.3185 43.16711 198.6268 39.60194 -94.30821      58.58082 
1 1 1 -22 28 2  o 91.92722 37.25642 1.060591       2.507795  -0.7678961     3.771725  2.509452       3.357432  95.28986 42.26495 114.7488 44.14671 -19.45890      61.11675 
1 1 1 -22 28 3  o 304.9657 24.43743 22.56238       3.476260  21.12636       4.394207  24.96433       5.683080  291.6236 32.58961 313.6450 39.38779 -22.02142      51.12222 
1 1 1 -22 28 4  o 233.3031 26.40108 13.34549       2.846426  12.39673       3.327533  15.93341       5.495656  222.3417 32.80012 244.0510 49.56239 -21.70930      59.43298 
1 1 1 -22 28 5  o 141.6488 38.38958 5.208368       2.621850  5.405704       3.058246  4.661118       5.092860  143.9927 42.33643 143.9417 54.61077 0.5094910E-01  69.09927 
1 1 1 -22 28 6  o 106.4479 38.25751 2.527316       2.440650  2.792476       2.891002  1.869501       4.553515  112.9800 41.48467 119.6809 49.53925 -6.700905      64.61514 
1 1 1 -22 28 7  o 252.5521 21.97932 15.47316       2.585132  14.82871       2.939588  17.67241       5.430407  245.7942 25.80943 257.6362 46.51995 -11.84200      53.19993 
1 1 1 -22 28 8  o 121.5693 45.11278 3.316436       3.434629  2.607610       4.973776  3.962545       4.748640  127.1565 52.11211 135.2513 52.37119 -8.094803      73.88108 
1 1 1 -22 28 9  o 218.5472 26.52108 11.82871       2.670646  14.04027       3.094741  5.377527       5.285612  237.5821 28.24459 147.8924 55.74883 89.68971       62.49551 
1 1 1 -22 28 10 o 85.16495 35.61798 0.6287587      2.388810  3.461911       2.772733  -7.529727      4.705198  118.4676 40.92631 78.81130 38.49860 39.65630       56.18812 
1 1 1 -22 28 11 o 328.2755 23.41029 26.36825       3.591359  26.36825       3.591359  0.000000       0.000000  328.2755 23.41029 ?        ?        0.000000       23.41029 
1 1 1 -22 28 12 o 214.4156 28.25887 11.58017       2.780793  12.59946       3.269585  8.914983       5.286985  221.6491 32.30871 173.6115 56.48076 48.03755       65.06865 
1 1 1 -22 30 1  o 322.3563 22.10504 25.13884       3.331697  22.62188       5.670012  26.46617       4.117517  295.3760 41.98956 328.6590 26.86798 -33.28299      49.84989 
1 1 1 -22 30 2  o 121.4293 38.34557 3.731776       2.450124  4.809804       3.442825  2.625522       3.487604  137.1857 45.62414 115.9022 44.88109 21.28346       63.99902 
1 1 1 -22 30 3  o 77.51635 34.94262 -1.042251      2.691903  -0.7649775     3.230054  -1.672711      4.870623  87.25932 38.88430 102.5098 46.52874 -15.25050      60.63755 
1 1 1 -22 30 4  o 240.5064 24.09081 14.15399       2.688859  13.94016       3.177059  14.69382       5.048080  236.5796 29.16573 233.0072 47.66307 3.572449       55.87851 
1 1 1 -21 1  1  o 846.1005 24.45144 168.9351       9.731857  166.5874       13.51596  171.4626       14.02394  838.8690 34.25180 850.9279 35.03548 -12.05890      48.99664 
1 1 1 -21 1  2  o 643.9681 24.01641 97.85416       7.275145  102.0809       11.26247  94.82760       9.530323  655.3115 36.68295 632.3174 32.14663 22.99402       48.77546 
1 1 1 -21 1  3  o 228.8165 24.96106 12.50389       2.643119  13.11705       3.712869  11.87389       3.763514  232.8075 34.98534 220.7892 37.58297 12.01826       51.34641 
1 1 1 -21 1  4  o 2222.969 25.49566 1166.735       26.66055  1142.935       32.04299  1220.274       48.05964  2198.172 30.98861 2264.176 45.12332 -66.00391      54.73946 
1 1 1 -21 1  5  o 467.6650 15.65684 51.51812       3.444358  49.54528       5.093643  53.18023       4.675314  457.5683 23.74646 474.8694 20.92991 -17.30106      31.65368 
1 1 1 -21 1  6  o 395.0848 15.12178 36.76675       2.810364  34.98970       3.956828  38.57584       3.992321  384.4849 21.96870 403.8628 21.08781 -19.37793      30.45192 
1 1 1 -21 1  7  o 817.3226 13.11435 157.3007       5.042079  158.3038       7.117718  156.2904       7.143506  819.4573 18.46482 814.2104 18.65114 5.246948       26.24528 
1 1 1 -21 1  8  o 1339.152 15.33862 422.5063       9.662411  435.6100       13.96485  410.4716       13.38313  1358.580 21.85153 1318.854 21.57207 39.72595       30.70576 
1 1 1 -21 1  9  o 744.8325 12.00368 130.6288       4.205740  128.2679       5.720285  133.4066       6.204851  737.7086 16.48404 752.2369 17.53506 -14.52838      24.06661 
1 1 1 -21 1  10 o 792.0887 13.97299 147.8067       5.206340  150.3558       6.231593  141.9144       9.474195  798.6241 16.58775 774.5897 26.00167 24.03436       30.84218 
1 1 1 -21 1  11 o 140.9655 32.47012 4.905334       2.108727  1.257729       3.599811  6.810890       2.601876  110.1940 44.64490 166.2785 34.39922 -56.08459      56.36021 
1 1 1 -21 1  12 o 706.9109 11.74264 117.6990       3.904808  121.2016       5.459579  114.0310       5.587092  716.9033 16.18934 695.2690 17.08298 21.63434       23.53557 
1 1 1 -21 1  13 o 140.1115 27.72115 4.817670       1.762369  6.001494       2.469833  3.589639       2.515526  155.7029 34.61749 123.2090 38.84826 32.49387       52.03420 
1 1 1 -21 1  14 o 398.3888 12.59122 37.40578       2.359632  36.33870       3.264053  38.57392       3.415117  392.2766 17.68868 404.1357 17.96425 -11.85916      25.21118 
1 1 1 -21 1  15 o 550.4674 11.78753 71.41728       3.052275  76.52663       4.429099  66.79610       4.212202  569.2469 16.54037 531.7872 16.83845 37.45978       23.60333 
1 1 1 -21 1  16 o 328.4960 25.91599 25.83598       3.972149  17.40785       5.394120  35.82045       5.871072  264.0443 45.04464 385.3126 32.70056 -121.2682      55.66279 
1 1 1 -21 1  17 o 65.04683 28.25696 -0.2322693     1.608120  1.236927       2.347585  -1.531169      2.207340  92.78285 36.56182 67.07130 30.77530 25.71156       47.79002 
1 1 1 -21 1  18 o 410.2848 13.40003 39.77802       2.586191  39.36415       3.713245  40.16791       3.604052  407.1063 19.38994 411.3966 18.62349 -4.290344      26.88502 
1 1 1 -21 1  19 o 857.8365 13.20861 174.0405       5.330048  170.9234       7.423958  177.3563       7.657099  847.8175 18.61503 863.5044 18.85083 -15.68689      26.49289 
1 1 1 -21 1  20 o 400.4983 15.57189 38.07627       2.933670  36.86088       4.455023  39.00681       3.898184  390.7594 24.35779 403.4713 20.60779 -12.71191      31.90584 
1 1 1 -21 1  21 o 229.0771 19.98788 12.65950       2.132285  13.47547       3.139559  11.96085       2.905085  233.2000 29.26457 219.6940 28.80473 13.50600       41.06248 
1 1 1 -21 1  22 o 104.5459 34.86950 2.654238       2.010496  3.612757       2.891438  1.757031       2.797433  121.2879 41.79931 101.0292 39.87957 20.25867       57.77164 
1 1 1 -21 1  23 o 262.1399 26.58166 17.06114       3.232486  16.07618       3.598275  21.18015       7.358364  252.0560 31.00134 266.6020 60.10980 -14.54597      67.63335 
1 1 1 -21 1  24 o 340.0818 23.07242 28.43657       3.669179  26.42368       4.092585  36.68253       8.283385  325.1926 26.99807 359.7384 50.32774 -34.54584      57.11197 
1 1 1 -21 1  25 o 232.4209 23.28075 13.42889       2.511089  11.50069       3.489877  15.49889       3.615910  206.6017 37.28102 244.1327 32.27784 -37.53093      49.31261 
1 1 1 -21 1  26 o 217.2345 25.38878 11.93653       2.545478  9.480139       3.574020  14.46523       3.626246  182.2583 42.47332 233.3173 34.04255 -51.05902      54.43232 
1 1 1 -21 1  27 o 92.47173 37.53333 1.548829       2.549313  3.671225       3.572099  -0.6542807     3.639389  118.4409 45.54371 88.58933 40.21407 29.85155       60.75690 
1 1 1 -21 1  28 o 328.5234 19.66802 26.72792       3.025482  25.47638       4.204115  28.07236       4.357354  311.7636 28.99932 327.8661 28.53710 -16.10245      40.68570 
1 1 1 -21 1  29 f 153.9557 43.01092 7.401990       3.235025  0.1824317      6.888200  9.445028       3.664280  110.7119 51.99420 172.9562 44.71101 -62.24436      68.57457 
1 1 1 -21 1  30 o 134.9480 53.24874 7.024220       4.985725  11.08502       6.988853  2.815993       7.114588  151.5580 61.90347 115.3529 53.73637 36.20516       81.97340 
1 1 1 -21 1  31 o 86.13712 40.77863 -0.9224792     4.393566  1.840963       6.067629  -3.968490      6.370295  103.8927 48.79405 89.29698 43.86225 14.59574       65.61064 
1 1 1 -21 1  32 o 90.76701 41.57324 1.520643       4.003278  -1.897741      5.528708  5.288348       5.804324  85.98916 41.94472 110.1415 50.30076 -24.15237      65.49447 
1 1 1 -21 3  1  o 607.1627 21.74249 86.93303       6.209887  97.38407       8.770583  76.42688       8.793674  641.9667 29.04335 567.3705 33.09201 74.59613       44.02950 
1 1 1 -21 3  2  o 861.7825 17.64522 174.9838       7.153094  161.4877       8.720697  202.7348       12.50509  827.4374 22.40509 926.2676 28.69993 -98.83026      36.40981 
1 1 1 -21 3  3  o 379.8900 20.90538 34.13166       3.721437  37.20352       5.075078  30.55886       5.473265  395.9197 27.41878 357.8537 32.88192 38.06601       42.81367 
1 1 1 -21 3  4  o 473.0571 14.78327 52.70267       3.289677  52.50987       4.416588  52.94293       4.930300  471.9418 19.89432 473.7518 22.12347 -1.809967      29.75284 
1 1 1 -21 3  5  f 676.1942 13.48074 107.6644       4.287998  106.3865       5.416585  109.8098       7.018171  671.9360 17.13675 682.2710 21.86743 -10.33496      27.78224 
1 1 1 -21 3  6  o 801.7653 13.48361 151.3727       5.085371  139.2918       6.777114  166.9408       7.693293  768.6826 18.74254 841.4496 19.43636 -72.76709      27.00102 
1 1 1 -21 3  7  o 740.0273 13.07610 128.9572       4.551926  131.9773       6.449041  125.9587       6.425812  748.2195 18.32301 730.9257 18.68897 17.29382       26.17270 
1 1 1 -21 3  8  o 346.7122 14.03659 28.31417       2.289286  29.17354       3.045649  27.19804       3.470964  351.2641 18.49737 338.7609 21.89869 12.50323       28.66541 
1 1 1 -21 3  9  o 364.3143 12.93850 31.25813       2.217325  31.62859       2.849633  30.68965       3.530049  366.3142 16.53735 360.0003 20.93573 6.313873       26.67937 
1 1 1 -21 3  10 o 582.0494 13.95949 79.81417       3.822072  81.34550       4.240705  73.18669       8.822212  587.5051 15.34466 554.0833 34.01249 33.42175       37.31364 
1 1 1 -21 3  11 o 429.5388 15.20294 43.48907       3.071845  42.15220       4.936236  44.33400       3.924303  421.3821 25.01502 433.4101 19.24838 -12.02795      31.56345 
1 1 1 -21 3  12 o 1170.368 13.60032 322.7857       7.487571  335.7919       10.72602  310.4234       10.45715  1192.603 19.11936 1146.608 19.38782 45.99512       27.22935 
1 1 1 -21 3  13 o 858.9971 12.06012 173.8429       4.873182  173.5860       6.696074  174.1321       7.105581  857.7151 16.59617 858.8947 17.58694 -1.179504      24.18126 
1 1 1 -21 3  14 o 508.9614 11.86895 61.04071       2.841624  65.79160       4.024776  56.31856       4.012578  527.9716 16.20547 488.3479 17.46727 39.62375       23.82693 
1 1 1 -21 3  15 o 647.6491 13.72685 98.94193       4.181960  106.1237       7.688961  95.92496       4.983533  668.6400 24.44590 637.2673 16.62441 31.37262       29.56304 
1 1 1 -21 3  16 o 204.6416 19.64541 10.00888       1.867901  12.51445       2.647953  7.527179       2.635314  228.0212 25.10266 174.3608 33.34545 53.66039       41.73802 
1 1 1 -21 3  17 o 303.6333 23.11143 22.06451       3.276213  22.25030       3.890066  21.61118       6.076449  303.8361 27.51604 293.4609 45.49037 10.37515       53.16490 
1 1 1 -21 3  18 o 335.0875 14.85943 26.56691       2.342231  24.93513       3.230698  28.37490       3.400664  322.9278 21.38885 344.6482 21.07709 -21.72040      30.02877 
1 1 1 -21 3  19 o 330.4235 16.17216 25.89943       2.513670  25.71282       3.354103  26.13853       3.796615  327.3747 21.90663 329.2189 24.69554 -1.844177      33.01167 
1 1 1 -21 3  20 o 362.6900 14.76129 31.20488       2.518426  31.56516       3.720731  30.90025       3.421268  362.2958 21.93549 358.9984 20.34297 3.297424       29.91659 
1 1 1 -21 3  21 o 237.7255 21.22309 13.67496       2.348349  12.35137       3.745873  14.53199       3.014234  219.4329 37.64497 243.1583 26.79727 -23.72537      46.20863 
1 1 1 -21 3  22 o 238.7788 20.57138 13.82425       2.288067  15.80780       3.498386  12.34150       3.024686  251.3391 30.19379 221.9322 29.71911 29.40698       42.36615 
1 1 1 -21 3  23 o 434.7473 18.76031 45.50574       3.836598  53.12128       9.075300  43.84853       4.233508  446.0025 43.82267 425.4250 21.15476 20.57755       48.66159 
1 1 1 -21 3  24 o 474.1057 15.34370 53.84481       3.421956  56.93947       5.101675  51.31376       4.613776  482.5492 22.47511 458.9301 21.37178 23.61908       31.01425 
1 1 1 -21 3  25 o 106.4319 35.82220 2.907750       2.121920  4.905021       3.197969  1.336806       2.836195  132.8298 43.96207 94.98670 39.18887 37.84313       58.89339 
1 1 1 -21 3  26 o 354.6091 28.86115 32.19382       4.772528  0.000000       0.000000  32.19382       4.772528  ?        ?        354.6091 28.86115 0.000000       28.86115 
1 1 1 -21 3  27 o 79.63297 34.27681 0.4044851      2.322991  -2.169117      3.281822  2.988727       3.288599  76.70618 35.98065 111.0049 43.41542 -34.29872      56.38711 
1 1 1 -21 3  28 o 118.9794 40.17311 4.069828       2.668758  4.866231       4.475895  3.630511       3.324321  127.9706 50.46639 115.2197 44.02336 12.75093       66.96949 
1 1 1 -21 3  29 o 93.87209 39.35871 1.654222       2.928030  13.73365       7.594051  -0.4551302     3.173401  171.7611 66.30643 81.96058 37.33835 89.80053       76.09662 
1 1 1 -21 3  30 o 121.1568 43.88146 4.812091       3.218825  -0.8041023E-02 6.572948  6.332685       3.691793  104.3099 49.52588 134.4078 47.17944 -30.09795      68.40111 
1 1 1 -21 3  31 o 96.88316 44.14268 1.614777       4.437340  -4.881094      6.297456  8.020215       6.253467  86.68230 42.77637 129.0180 55.88395 -42.33574      70.37637 
1 1 1 -21 3  32 o 130.3994 55.67875 9.916766       6.040853  9.916766       6.040853  0.000000       0.000000  130.3994 55.67875 ?        ?        0.000000       55.67875 
1 1 1 -21 3  33 o 107.0199 49.72592 6.846017       6.029649  6.846017       6.029649  0.000000       0.000000  107.0199 49.72592 ?        ?        0.000000       49.72592 
1 1 1 -21 5  1  o 633.4646 16.30112 94.52291       4.857460  99.25684       9.043010  92.60310       5.758790  648.0089 29.66625 626.7935 19.53158 21.21539       35.51857 
1 1 1 -21 5  2  o 1071.664 17.86123 270.6185       9.004074  271.1317       11.56188  269.8276       14.35355  1072.040 22.92705 1068.565 28.55545 3.474243       36.62053 
1 1 1 -21 5  3  o 2020.170 24.14659 963.2080       22.94632  977.9703       29.41257  940.2498       36.67959  2033.407 30.74960 1990.338 39.17675 43.06897       49.80317 
1 1 1 -21 5  4  o 829.3143 14.18800 161.9631       5.534899  167.9384       7.252132  153.6266       8.565958  844.1302 18.26362 806.9247 22.56699 37.20544       29.03152 
1 1 1 -21 5  5  o 612.9791 13.35262 88.47651       3.850184  90.42734       5.219242  86.14745       5.702799  619.4166 17.91246 604.4227 20.05755 14.99390       26.89167 
1 1 1 -21 5  6  o 937.6674 13.23207 207.0379       5.836411  211.5683       7.331194  199.1974       9.644464  947.5660 16.44735 918.7417 22.31595 28.82434       27.72214 
1 1 1 -21 5  7  o 895.7513 18.57749 189.1836       7.827872  189.1836       7.827872  0.000000       0.000000  895.7513 18.57749 ?        ?        0.000000       18.57749 
1 1 1 -21 5  8  o 854.0018 19.63096 172.0402       7.886236  0.000000       0.000000  172.0402       7.886236  ?        ?        854.0018 19.63096 0.000000       19.63096 
1 1 1 -21 5  9  o 567.2891 14.46478 75.82159       3.859983  76.66576       4.117894  69.70869       11.08108  570.3768 15.34772 538.4027 44.14094 31.97412       46.73302 
1 1 1 -21 5  10 o 646.5345 23.04814 98.78122       7.009658  0.000000       0.000000  98.78122       7.009658  ?        ?        646.5345 23.04814 0.000000       23.04814 
1 1 1 -21 5  11 o 362.5244 16.72810 30.99577       2.852682  29.87515       4.005339  32.14940       4.063901  354.5772 24.15765 367.9676 23.60265 -13.39044      33.77391 
1 1 1 -21 5  12 o 233.1887 21.07757 12.95484       2.287059  16.32878       3.427445  10.24677       3.070665  260.8423 28.39191 205.0318 32.95396 55.81050       43.49786 
1 1 1 -21 5  13 o 632.0685 11.67434 94.12292       3.471089  95.37856       4.646164  92.53685       5.221834  635.8607 15.53328 626.0358 17.73187 9.824890       23.57334 
1 1 1 -21 5  14 o 675.1240 11.80124 107.4142       3.747834  108.8032       5.087555  105.7660       5.542038  678.9263 15.93005 669.1177 17.60750 9.808533       23.74427 
1 1 1 -21 5  15 o 107.1767 35.88288 2.609229       2.129004  0.5677765      3.563449  3.742435       2.654944  103.6731 43.44150 125.4419 39.94859 -21.76878      59.01740 
1 1 1 -21 5  16 o 435.7660 12.68178 44.80545       2.599578  45.62724       3.635581  43.94574       3.718540  439.0970 17.60127 430.8158 18.34896 8.281189       25.42616 
1 1 1 -21 5  17 o 431.3766 36.13891 45.42212       7.265754  0.000000       0.000000  45.42212       7.265754  ?        ?        431.3766 36.13891 0.000000       36.13891 
1 1 1 -21 5  18 o 546.7927 12.66061 70.64701       3.256465  73.71897       4.681261  67.76656       4.532992  557.2834 17.85737 534.2617 18.03689 23.02173       25.38139 
1 1 1 -21 5  19 o 96.33698 33.26046 2.087791       1.831163  2.615639       2.714215  1.646824       2.480807  110.8085 40.27050 97.92466 37.87131 12.88380       55.28064 
1 1 1 -21 5  20 o 198.0935 21.11984 9.500334       1.937679  7.072103       2.926987  11.39472       2.585296  165.3948 38.36449 215.6757 26.00706 -50.28088      46.34869 
1 1 1 -21 5  21 o 134.4043 32.55224 4.638454       2.036258  5.228895       3.420492  4.314339       2.534252  141.8420 45.36208 129.3964 38.66326 12.44559       59.60340 
1 1 1 -21 5  22 o 243.8274 19.78277 14.39278       2.249460  17.17679       3.531461  12.49196       2.918032  262.4041 29.09980 223.6910 28.36903 38.71303       40.63988 
1 1 1 -21 5  23 o 357.6790 16.40236 30.65348       2.759746  33.75369       4.258043  28.40789       3.623932  370.4115 24.57704 340.7846 22.73689 29.62692       33.48129 
1 1 1 -21 5  24 o 81.53873 33.14454 0.9256837      1.991444  -0.2576346     3.282396  1.614972       2.505189  89.11827 39.48264 94.77417 37.63466 -5.655899      54.54582 
1 1 1 -21 5  25 o 246.9219 30.57489 15.72369       3.475420  18.21552       3.912112  6.394174       7.569753  264.8582 32.05228 151.8382 63.44495 113.0199       71.08172 
1 1 1 -21 5  26 o 344.3881 18.48524 28.93348       2.983679  26.07384       4.359612  31.45306       4.092192  318.2752 29.45287 354.2022 24.71531 -35.92703      38.44890 
1 1 1 -21 5  27 o 197.8050 28.91384 10.22932       2.610927  4.485847       3.927435  14.77786       3.495083  126.2555 47.94346 235.4758 32.41214 -109.2202      57.87160 
1 1 1 -21 5  28 o 227.9369 52.84753 17.06599       5.556121  17.06599       5.556121  0.000000       0.000000  227.9369 52.84753 ?        ?        0.000000       52.84753 
1 1 1 -21 5  29 o 372.5929 23.45479 35.54829       4.089903  28.78716       8.279994  37.73029       4.703794  267.1038 66.22689 379.6747 26.50332 -112.5708      71.33321 
1 1 1 -21 5  30 o 86.40909 38.83972 0.4769651      3.298076  -9.747326      6.503300  4.017013       3.826676  81.41014 40.70987 113.1030 45.95668 -31.69289      61.39471 
1 1 1 -21 5  31 o 217.8682 48.90838 17.26703       4.889516  16.42093       6.818105  18.16290       7.015772  172.3796 63.64168 181.3383 64.89639 -8.958679      90.89447 
1 1 1 -21 5  32 o 98.08256 46.32631 2.464328       5.610003  2.464328       5.610003  0.000000       0.000000  98.08256 46.32631 ?        ?        0.000000       46.32631 
1 1 1 -21 7  1  o 102.8869 39.84984 1.600093       2.749963  -0.9212248     5.189092  2.584733       3.242772  116.0250 50.57719 118.2914 43.84690 -2.266457      66.93730 
1 1 1 -21 7  2  o 932.3527 15.45697 204.7541       6.779128  209.6314       12.79210  202.8494       7.993962  941.6862 28.87794 927.7330 18.31765 13.95325       34.19754 
1 1 1 -21 7  3  o 143.5991 37.54969 5.071959       2.565168  7.116112       4.134956  3.793103       3.270580  170.6599 48.95829 131.0552 44.47158 39.60469       66.14103 
1 1 1 -21 7  4  o 986.8647 23.75696 229.9049       11.02853  0.000000       0.000000  229.9049       11.02853  ?        ?        986.8647 23.75696 0.000000       23.75696 
1 1 1 -21 7  5  o 319.7840 26.05691 24.32129       3.885583  24.32129       3.885583  0.000000       0.000000  319.7840 26.05691 ?        ?        0.000000       26.05691 
1 1 1 -21 7  6  o 1307.701 15.35070 402.8911       9.442912  407.1009       11.43717  393.8764       16.73661  1314.015 18.50330 1290.574 27.56865 23.44067       33.20245 
1 1 1 -21 7  7  o 576.2134 12.16380 78.17964       3.297022  72.17058       3.912696  92.89538       6.122988  553.4627 15.02859 627.4352 20.74556 -73.97253      25.61712 
1 1 1 -21 7  8  o 577.7361 12.36561 78.60280       3.360581  78.48497       4.361928  78.77488       5.271344  577.0563 16.06908 577.8448 19.39281 -0.7885132     25.18525 
1 1 1 -21 7  9  o 404.9696 15.79409 38.65752       3.008752  39.20902       3.098521  29.55113       12.59079  407.8277 16.15133 338.6884 80.25713 69.13937       81.86619 
1 1 1 -21 7  10 o 245.3657 16.03199 14.25517       1.840248  15.01517       2.157675  12.22708       3.524712  251.5955 18.35784 224.2093 34.52765 27.38626       39.10459 
1 1 1 -21 7  11 o 430.9193 12.76971 43.75032       2.588489  44.77567       3.159206  41.65596       4.515093  435.7680 15.41180 419.0482 22.99302 16.71973       27.68037 
1 1 1 -21 7  12 o 314.4153 17.90712 23.41460       2.637532  23.16290       3.511529  23.74040       3.995163  311.8279 24.12709 315.1820 27.21347 -3.354095      36.36880 
1 1 1 -21 7  13 o 462.8782 12.41783 50.49839       2.703845  49.60141       3.377447  52.09925       4.512017  458.4671 15.66070 469.3239 20.43755 -10.85678      25.74783 
1 1 1 -21 7  14 o 569.1337 14.65528 76.44198       3.923537  85.52319       6.411768  71.00590       4.960763  600.5801 22.69538 547.8558 19.24921 52.72430       29.75924 
1 1 1 -21 7  15 o 514.9410 12.21775 62.53996       2.959498  64.88650       3.963129  59.58181       4.449730  523.9822 16.07875 501.6569 18.85635 22.32532       24.78080 
1 1 1 -21 7  16 o 487.3992 12.55436 56.06955       2.878383  60.53383       3.935137  50.93261       4.221200  505.7824 16.53967 463.4223 19.36376 42.36011       25.46598 
1 1 1 -21 7  17 o 650.9676 12.31539 100.0700       3.771176  106.6704       5.396449  93.76993       5.272217  670.8455 17.10079 628.7639 17.82528 42.08167       24.70178 
1 1 1 -21 7  18 o 273.9809 17.91756 17.90917       2.296518  16.26453       3.014372  20.18431       3.545396  259.2696 25.02691 288.6424 26.40422 -29.37283      36.38034 
1 1 1 -21 7  19 o 152.6069 26.55516 5.772476       1.837068  6.388932       2.720786  5.255967       2.490477  157.7755 37.25546 143.2073 36.77796 14.56821       52.35062 
1 1 1 -21 7  20 o 371.6208 14.98523 32.80835       2.619587  29.24276       3.831018  35.93946       3.590026  347.5686 23.57108 387.0435 19.78437 -39.47491      30.77364 
1 1 1 -21 7  21 o 357.5638 23.54357 31.07704       3.937848  31.07704       3.937848  0.000000       0.000000  357.5638 23.54357 ?        ?        0.000000       23.54357 
1 1 1 -21 7  22 o 346.3413 19.42552 28.96299       3.152027  33.38288       8.087196  28.17131       3.422699  347.6371 50.96777 340.5878 21.47334 7.049347       55.30658 
1 1 1 -21 7  23 o 349.3961 16.35282 29.27063       2.687695  27.91523       4.117435  30.27695       3.547807  335.3002 26.31637 352.3228 21.50975 -17.02255      33.98854 
1 1 1 -21 7  24 o 228.8966 20.78551 12.85472       2.213647  12.73549       3.607164  12.92675       2.803667  219.1158 36.26482 226.5099 26.83471 -7.394180      45.11362 
1 1 1 -21 7  25 o 201.4514 25.33365 10.23419       2.347602  11.47377       3.644311  9.354936       3.069276  204.5735 39.29834 186.1712 36.35153 18.40230       53.53310 
1 1 1 -21 7  26 o 74.55727 32.31895 0.1385855      2.094704  -2.672564      3.291030  2.052995       2.715860  75.05550 35.45996 99.39873 39.27544 -24.34322      52.91473 
1 1 1 -21 7  27 o 151.5776 34.86139 6.364385       2.433867  4.481596       3.927591  7.538116       3.101057  125.7693 47.89983 160.9962 40.87401 -35.22691      62.96887 
1 1 1 -21 7  28 o 288.6557 23.91309 21.24085       3.217780  13.19857       6.826082  23.53852       3.648598  179.3737 64.03217 301.9232 25.94172 -122.5495      69.08756 
1 1 1 -21 7  29 o 80.64199 36.66563 -0.3375066     3.041077  0.000000       0.000000  -0.3375066     3.041077  ?        ?        80.64199 36.66563 0.000000       36.66563 
1 1 1 -21 7  30 o 149.7322 43.80317 7.565622       3.281132  -1.208383      6.590755  10.45675       3.783290  99.35423 47.81673 175.6155 45.44733 -76.26126      65.96893 
1 1 1 -21 7  31 o 78.49562 37.09451 -1.038772      3.605528  -4.628419      5.878929  1.125446       4.564812  83.60324 41.27047 93.75173 43.45864 -10.14849      59.93251 
1 1 1 -21 7  32 o 86.30721 41.87139 -0.7164091     5.307653  -0.7164091     5.307653  0.000000       0.000000  86.30721 41.87139 ?        ?        0.000000       41.87139 
1 1 1 -21 9  1  o 152.2517 36.60535 5.718235       2.589370  2.283591       5.428553  6.729849       2.946121  137.7813 55.17328 165.0962 38.62235 -27.31493      67.34818 
1 1 1 -21 9  2  o 654.4164 14.62522 100.8698       4.502212  100.1486       8.987624  101.1114       5.201952  650.6824 29.36341 655.0460 16.88205 -4.363525      33.87054 
1 1 1 -21 9  3  o 81.73266 33.91735 0.3796147      2.142267  0.8549556      3.945857  0.1809453      2.550964  111.6677 46.16021 86.76288 36.57591 24.90485       58.89450 
1 1 1 -21 9  4  f 838.0650 14.18287 165.4292       5.591278  154.2219       6.958427  185.8502       9.392852  808.7982 18.28949 887.3304 22.50312 -78.53229      28.99821 
1 1 1 -21 9  5  o 630.4671 13.46231 93.61532       3.992559  94.32594       5.383486  92.74673       5.951862  632.5137 18.09358 627.0116 20.17939 5.502075       27.10323 
1 1 1 -21 9  6  o 563.0541 13.39200 74.67024       3.547029  70.48665       4.529710  81.30202       5.703098  546.7746 17.61135 586.9601 20.65537 -40.18555      27.14413 
1 1 1 -21 9  7  o 407.3118 13.29662 39.07795       2.547637  37.92474       3.180818  41.14150       4.254941  401.0778 16.85935 416.8505 21.77478 -15.77274      27.53868 
1 1 1 -21 9  8  o 633.8796 14.13506 94.67352       4.214767  94.67352       4.214767  0.000000       0.000000  633.8796 14.13506 ?        ?        0.000000       14.13506 
1 1 1 -21 9  9  o 430.3657 13.65118 43.64167       2.763612  46.97187       3.374196  36.85488       4.816903  446.3280 16.07114 393.6879 26.15925 52.64011       30.70160 
1 1 1 -21 9  10 o 1028.417 13.55364 249.2469       6.556834  242.2701       8.061746  262.8810       11.26977  1013.368 16.91191 1054.300 22.72383 -40.93219      28.32641 
1 1 1 -21 9  11 o 283.0294 19.75108 19.01947       2.613126  19.02794       3.253006  19.00406       4.387532  282.3430 24.74241 280.3688 33.96028 1.974213       42.01770 
1 1 1 -21 9  12 o 119.4918 39.86318 3.255819       2.627525  4.185494       2.785908  -4.230083      7.905388  131.9365 40.76854 129.5656 58.98948 2.370926       71.70657 
1 1 1 -21 9  13 o 227.8188 18.36022 12.34967       1.950897  11.00608       2.159663  18.30872       4.548208  214.4610 21.70656 274.0015 36.17150 -59.54050      42.18474 
1 1 1 -21 9  14 o 423.2030 16.37121 42.33188       3.259108  45.06540       4.685679  39.77009       4.536108  435.0328 22.97865 408.4357 23.71175 26.59711       33.01917 
1 1 1 -21 9  15 f 427.0550 13.21292 43.05681       2.654312  46.10411       3.446260  38.61303       4.161657  441.4301 16.59651 402.4821 22.06527 38.94794       27.61015 
1 1 1 -21 9  16 o 857.0430 12.83497 173.4866       5.174481  174.0383       6.847072  172.7520       7.901265  857.0590 16.98341 852.8124 19.69581 4.246582       26.00694 
1 1 1 -21 9  17 o 168.0291 24.99021 6.903838       1.915119  6.577608       2.608373  7.285387       2.820866  161.2969 35.35315 169.6459 36.43591 -8.349030      50.76830 
1 1 1 -21 9  18 o 161.3858 33.44968 6.582121       2.455961  5.538807       2.684404  11.94114       6.083917  146.9674 38.40378 209.1139 59.18290 -62.14651      70.55116 
1 1 1 -21 9  19 o 215.9190 20.16024 11.24292       2.023962  12.45933       2.973024  10.19221       2.763117  224.6676 28.79379 202.4971 29.90763 22.17056       41.51564 
1 1 1 -21 9  20 o 309.7964 16.20979 22.92467       2.354024  24.04544       3.607786  22.09379       3.106383  314.2207 24.60479 302.1687 22.00547 12.05194       33.00964 
1 1 1 -21 9  21 o 381.9946 17.52462 34.92817       3.149017  34.00714       6.677457  35.19158       3.571050  362.4677 39.81886 381.9714 19.94366 -19.50369      44.53416 
1 1 1 -21 9  22 o 426.0679 15.76923 43.40536       3.160521  50.17836       5.879324  40.65265       3.748148  449.5979 27.93751 410.6166 19.40487 38.98126       34.01549 
1 1 1 -21 9  23 o 416.7021 15.23622 41.55898       2.986568  36.63727       4.477174  45.50484       4.008821  385.0799 24.84893 433.5529 19.65646 -48.47296      31.68352 
1 1 1 -21 9  24 o 125.6197 34.16467 4.215975       2.072244  5.221352       3.453373  3.650262       2.590461  137.0431 45.69957 117.8799 39.58051 19.16322       60.45715 
1 1 1 -21 9  25 o 130.1062 47.47140 4.621913       3.777052  4.621913       3.777052  0.000000       0.000000  130.1062 47.47140 ?        ?        0.000000       47.47140 
1 1 1 -21 9  26 o 172.8285 42.74208 8.658806       3.455496  6.724433       3.921118  15.38347       7.310974  148.7217 48.65346 203.3421 66.43067 -54.62041      82.34193 
1 1 1 -21 9  27 o 152.6126 33.04393 6.384438       2.303468  4.336388       3.902498  7.479500       2.853592  123.7723 47.60111 161.9145 38.10096 -38.14226      60.97171 
1 1 1 -21 9  28 o 300.4908 55.45266 30.61831       7.549548  30.61831       7.549548  0.000000       0.000000  300.4908 55.45266 ?        ?        0.000000       55.45266 
1 1 1 -21 9  29 o 236.8042 32.39482 15.66668       3.513933  0.000000       0.000000  15.66668       3.513933  ?        ?        236.8042 32.39482 0.000000       32.39482 
1 1 1 -21 9  30 o 101.7777 42.16314 2.931362       3.302368  2.794887       5.905333  2.993460       3.983457  108.3076 49.93172 104.1451 44.85642 4.162491       67.12135 
1 1 1 -21 9  31 o 90.78070 40.54356 1.702512       3.532629  -1.762485      5.761311  3.790131       4.471935  88.61144 43.13447 105.0290 46.33011 -16.41757      63.30136 
1 1 1 -21 11 1  o 586.2110 15.06351 80.95811       4.153836  83.62070       8.744460  80.18223       4.720417  593.3264 31.44289 583.2495 17.20508 10.07690       35.84229 
1 1 1 -21 11 2  o 977.5618 15.33012 225.1561       7.049511  215.3092       13.36198  228.9540       8.298369  953.6483 29.78609 985.4605 17.90129 -31.81226      34.75150 
1 1 1 -21 11 3  o 486.4161 15.12297 55.74610       3.460304  52.61877       5.164511  58.29370       4.661304  472.0126 23.25982 497.0863 19.93454 -25.07376      30.63340 
1 1 1 -21 11 4  o 493.0872 14.74583 57.28474       3.420285  56.38099       4.897677  58.14507       4.778549  488.7227 21.30386 496.3786 20.46509 -7.655914      29.54107 
1 1 1 -21 11 5  o 430.9816 15.11564 43.77098       3.064464  40.92918       4.312141  46.67064       4.355802  415.7205 22.13037 444.6472 20.82492 -28.92664      30.38800 
1 1 1 -21 11 6  o 714.6778 12.92312 120.3106       4.344572  124.6849       5.576560  113.5553       6.929938  727.2359 16.30128 693.4500 21.24442 33.78589       26.77792 
1 1 1 -21 11 7  o 873.1124 12.89262 179.5831       5.295178  170.9312       6.085089  206.5696       10.74688  851.5595 15.19087 934.5076 24.44727 -82.94806      28.78248 
1 1 1 -21 11 8  o 546.4637 17.78976 70.46513       4.572995  70.46513       4.572995  0.000000       0.000000  546.4637 17.78976 ?        ?        0.000000       17.78976 
1 1 1 -21 11 9  o 572.1863 12.85627 77.14813       3.460364  75.94184       4.092699  80.17242       6.480319  567.4718 15.33191 581.9974 23.67043 -14.52557      28.20206 
1 1 1 -21 11 10 o 491.6057 12.25787 56.95008       2.834662  55.59775       3.261661  61.12445       5.730499  485.5701 14.27965 507.9493 23.98296 -22.37918      27.91220 
1 1 1 -21 11 11 o 761.8954 12.63729 136.8406       4.529171  138.2072       5.464108  133.8403       8.096417  765.3069 15.17799 751.5547 22.90145 13.75220       27.47449 
1 1 1 -21 11 12 o 322.0309 19.26155 24.62518       2.904433  21.56362       3.479143  31.66485       5.275664  300.2812 24.85402 362.7651 31.22007 -62.48392      39.90508 
1 1 1 -21 11 13 o 758.2775 22.80253 136.5636       8.133557  136.5636       8.133557  0.000000       0.000000  758.2775 22.80253 ?        ?        0.000000       22.80253 
1 1 1 -21 11 14 o 449.7809 13.61938 47.77509       2.881561  53.36220       3.427728  34.31225       5.320850  475.0963 15.33753 377.0489 30.25429 98.04736       33.91994 
1 1 1 -21 11 15 o 658.9107 13.08882 102.5626       4.056920  105.6842       5.032053  96.76574       6.857282  668.1409 16.01061 637.1721 22.87841 30.96875       27.92421 
1 1 1 -21 11 16 o 373.7851 14.29350 33.06024       2.513215  35.34802       3.191352  29.32487       4.077880  385.9066 17.58018 349.0354 25.00242 36.87119       30.56442 
1 1 1 -21 11 17 o 194.1975 24.10998 9.177361       2.155083  10.23485       2.642047  7.074912       3.725337  204.0284 28.28960 164.8391 46.19221 39.18936       54.16661 
1 1 1 -21 11 18 o 308.6882 28.91912 23.34582       4.150332  22.63080       5.068538  24.80083       7.230306  300.3387 36.63507 305.4599 52.19376 -5.121216      63.76768 
1 1 1 -21 11 19 o 159.8887 29.45160 6.431298       2.133496  6.357239       2.920484  6.516053       3.124250  155.8419 39.72100 157.3286 41.58537 -1.486603      57.50740 
1 1 1 -21 11 20 o 87.65862 32.49746 1.565554       1.781441  0.2526276      2.841699  2.415585       2.286522  88.71489 38.04192 103.3953 37.04361 -14.68037      53.09818 
1 1 1 -21 11 21 o 216.2156 24.43034 11.53164       2.441185  13.93876       5.739874  11.00008       2.697289  219.3155 55.56989 209.5962 28.06175 9.719238       62.25331 
1 1 1 -21 11 22 o 69.37782 30.06804 -0.4756519E-01 1.812397  1.094035       3.105793  -0.6370648     2.231810  97.36449 40.65735 71.91996 32.16526 25.44453       51.84230 
1 1 1 -21 11 23 o 163.1016 28.51192 6.808596       2.107887  5.816051       3.417875  7.417832       2.677773  144.4522 45.24249 167.1894 35.16320 -22.73718      57.30038 
1 1 1 -21 11 24 o 218.9080 24.31197 11.96838       2.461232  5.006200       3.617834  17.96671       3.358078  134.6045 46.73494 266.8976 27.12400 -132.2931      54.03579 
1 1 1 -21 11 25 o 305.8826 18.41480 22.80929       2.637315  22.52201       4.124578  23.00799       3.430152  295.5171 30.09049 303.3701 24.23889 -7.852997      38.63886 
1 1 1 -21 11 26 o 267.0149 20.84771 17.67503       2.597803  17.16257       4.228443  17.98572       3.292432  250.1062 37.06244 265.0717 26.77174 -14.96552      45.72035 
1 1 1 -21 11 27 o 108.6406 38.68688 3.221347       2.490279  9.298455       6.387124  2.131930       2.704294  157.1318 60.76744 98.03911 39.04778 59.09273       72.23164 
1 1 1 -21 11 28 o 173.9598 35.82458 8.687451       2.833935  6.218788       5.857526  9.441894       3.238144  133.3477 55.77228 177.8641 39.70761 -44.51639      68.46344 
1 1 1 -21 11 29 o 98.67616 39.89033 2.528787       2.867068  -3.629608      6.049827  4.312505       3.255909  91.35777 44.40926 115.9281 43.74136 -24.57030      62.33369 
1 1 1 -21 11 30 o 375.6929 32.80643 41.08205       5.739616  0.000000       0.000000  41.08205       5.739616  ?        ?        375.6929 32.80643 0.000000       32.80643 
1 1 1 -21 13 1  o 285.6492 18.12662 19.32212       2.423056  19.02497       6.144163  19.37684       2.636757  277.7513 48.80713 285.8772 19.72820 -8.125946      52.64350 
1 1 1 -21 13 2  o 906.0416 14.89631 193.4550       6.348867  179.5779       11.89611  198.9818       7.507425  870.5739 29.04891 918.5712 17.37436 -47.99738      33.84830 
1 1 1 -21 13 3  o 886.1925 13.63287 185.0238       5.683094  175.4552       8.835032  191.7773       7.422477  861.8452 21.79262 901.7294 17.49860 -39.88416      27.94851 
1 1 1 -21 13 4  o 830.8191 14.60548 162.6793       5.708101  148.3057       7.100350  188.9417       9.597644  792.7056 19.04139 894.0703 22.82042 -101.3647      29.72114 
1 1 1 -21 13 5  o 208.9191 24.97147 10.47441       2.405463  8.940703       3.766433  11.53092       3.126046  189.5409 43.20422 218.1826 31.35961 -28.64166      53.38567 
1 1 1 -21 13 6  o 946.4855 13.61171 211.1202       6.060327  201.6830       7.066371  237.3663       11.78436  924.7003 16.24524 1001.235 25.02078 -76.53479      29.83198 
1 1 1 -21 13 7  o 739.5061 15.29865 128.9736       5.321869  128.9736       5.321869  0.000000       0.000000  739.5061 15.29865 ?        ?        0.000000       15.29865 
1 1 1 -21 13 8  o 337.0040 14.60953 26.78461       2.316011  25.77881       2.654222  29.99405       4.741278  330.0058 17.15722 354.1303 28.70893 -24.12457      33.44508 
1 1 1 -21 13 9  o 286.1552 15.13376 19.37507       2.029883  18.55077       2.248729  23.00238       4.717231  279.7401 17.17190 308.6945 32.99659 -28.95441      37.19743 
1 1 1 -21 13 10 o 198.0858 18.34967 9.356057       1.690403  9.271830       1.829293  9.848395       4.422684  196.9257 20.02613 197.2590 48.09658 -0.3333740     52.09921 
1 1 1 -21 13 11 o 352.5494 13.73715 29.33180       2.278168  31.79710       2.570589  20.30772       4.918121  366.9583 14.89178 288.1161 37.15361 78.84225       40.02694 
1 1 1 -21 13 12 o 797.9579 16.20612 150.5567       6.083148  150.2973       8.268312  150.8628       8.981629  795.4668 22.09660 796.2709 23.97867 -0.8040771     32.60730 
1 1 1 -21 13 13 o 640.0780 21.41752 97.38407       6.448687  97.38407       6.448687  0.000000       0.000000  640.0780 21.41752 ?        ?        0.000000       21.41752 
1 1 1 -21 13 14 o 240.3801 18.27585 13.78722       2.051070  15.57684       2.265499  5.653325       4.829840  255.4506 18.98907 154.8758 53.98598 100.5748       57.22823 
1 1 1 -21 13 15 o 792.6984 13.72212 148.6338       5.116800  164.4536       6.580667  124.4455       8.137136  832.6434 16.80125 721.1568 23.98681 111.4866       29.28565 
1 1 1 -21 13 16 o 293.7510 18.92085 20.62903       2.600596  21.14968       2.789459  17.17004       7.189904  297.1510 20.07371 249.8205 61.57642 47.33052       64.76580 
1 1 1 -21 13 17 o 402.1536 18.46672 38.55642       3.493421  38.55642       3.493421  0.000000       0.000000  402.1536 18.46672 ?        ?        0.000000       18.46672 
1 1 1 -21 13 18 o 195.7266 24.15487 9.378661       2.176763  9.833083       2.819674  8.708362       3.424554  197.9688 31.32057 182.3847 40.92223 15.58403       51.53259 
1 1 1 -21 13 19 o 584.5022 16.71782 81.53519       4.596581  84.27008       5.250573  72.56243       9.510430  593.0776 18.82027 534.3951 38.08192 58.68250       42.47865 
1 1 1 -21 13 20 o 141.3683 37.58093 5.273788       2.542122  4.354935       4.894772  5.613171       2.974777  137.8565 53.22916 144.9610 41.50829 -7.104416      67.50023 
1 1 1 -21 13 21 o 250.0293 19.80159 15.17125       2.309900  14.45861       3.419113  15.76961       3.132992  238.7553 31.18854 251.7699 26.86871 -13.01453      41.16616 
1 1 1 -21 13 22 o 329.8551 16.66357 26.17004       2.577222  23.68097       3.818200  28.25313       3.492963  308.5189 26.56832 340.0430 21.95415 -31.52414      34.46535 
1 1 1 -21 13 23 o 247.1435 23.73919 15.13610       2.725886  6.299049       4.204711  21.54281       3.580140  148.5780 50.42409 293.6534 26.19262 -145.0754      56.82114 
1 1 1 -21 13 24 o 124.3017 34.21069 4.156222       2.063407  5.655252       3.639242  3.446002       2.504968  140.6745 46.91343 114.5652 38.91965 26.10928       60.95579 
1 1 1 -21 13 25 o 84.88496 34.00971 1.254313       2.063898  1.232370       3.783242  1.263610       2.462630  101.9592 43.81235 89.44399 36.66399 12.51524       57.12941 
1 1 1 -21 13 26 o 299.7088 30.46225 23.63258       4.234987  0.000000       0.000000  23.63258       4.234987  ?        ?        299.7088 30.46225 0.000000       30.46225 
1 1 1 -21 13 27 o 132.3734 51.93377 5.667273       4.717106  6.941143       6.149765  3.846612       7.352084  140.2476 57.76591 127.0402 57.46244 13.20735       81.47903 
1 1 1 -21 13 28 o 134.4500 38.57025 5.507898       2.566403  9.717599       6.005776  4.567460       2.838629  151.8079 58.86492 121.1090 41.42929 30.69892       71.98240 
1 1 1 -21 13 29 o 266.0496 31.25777 19.97077       3.837372  10.40131       6.074460  26.32581       4.950204  147.8024 58.63128 297.8993 36.05952 -150.0969      68.83251 
1 1 1 -21 13 30 o 105.5510 46.48796 3.703924       4.485244  0.000000       0.000000  3.703924       4.485244  ?        ?        105.5510 46.48796 0.000000       46.48796 
1 1 1 -21 15 1  o 278.7932 19.11570 18.43967       2.491786  16.37039       6.349515  18.81636       2.709115  255.1434 54.55629 281.4466 20.60591 -26.30321      58.31803 
1 1 1 -21 15 2  o 163.8038 26.31355 6.516272       1.958913  7.802014       4.739646  6.251396       2.151249  177.9017 52.81057 159.7399 29.72300 18.16183       60.60044 
1 1 1 -21 15 3  o 473.8199 24.87998 53.32891       5.525996  53.32891       5.525996  0.000000       0.000000  473.8199 24.87998 ?        ?        0.000000       24.87998 
1 1 1 -21 15 4  o 144.4187 32.64512 5.163324       2.165625  3.866698       3.674957  5.853151       2.680495  133.9567 47.06889 153.4329 37.46389 -19.47617      60.15833 
1 1 1 -21 15 5  o 504.4970 14.94115 60.03704       3.545783  55.28620       4.606544  66.94412       5.554408  483.5375 20.25237 531.7956 22.20362 -48.25812      30.05260 
1 1 1 -21 15 6  o 205.3513 22.57042 10.10644       2.144278  8.947933       2.782187  11.80143       3.365273  191.1961 32.06972 219.8737 33.60396 -28.67752      46.45097 
1 1 1 -21 15 7  o 231.6349 25.16891 12.88592       2.698311  12.88592       2.698311  0.000000       0.000000  231.6349 25.16891 ?        ?        0.000000       25.16891 
1 1 1 -21 15 8  o 694.4719 12.58001 113.7311       4.109652  115.0651       4.796425  110.0476       7.970268  698.2175 14.60352 680.5581 24.89651 17.65942       28.86345 
1 1 1 -21 15 9  o 574.3234 11.90003 77.77946       3.214948  77.01053       3.601387  80.79668       7.133908  571.2814 13.40141 582.5423 26.03339 -11.26086      29.28029 
1 1 1 -21 15 10 f 566.2495 11.82584 75.62650       3.149988  75.79514       3.488166  74.88110       7.333481  566.7024 13.08497 559.8979 27.84402 6.804443       30.76534 
1 1 1 -21 15 11 o 925.2419 12.59984 202.0632       5.483900  204.5683       6.147367  192.3008       12.13544  930.5614 14.04348 895.9557 28.79384 34.60565       32.03599 
1 1 1 -21 15 12 o 406.9734 29.66953 40.00791       5.640845  0.000000       0.000000  40.00791       5.640845  ?        ?        406.9734 29.66953 0.000000       29.66953 
1 1 1 -21 15 13 o 235.8316 24.17255 13.42703       2.643711  12.88942       3.080026  14.93162       5.152625  229.6709 29.16641 241.0290 47.13422 -11.35806      55.42846 
1 1 1 -21 15 14 o 189.1904 22.32551 8.663579       1.948595  9.549728       2.098660  3.123570       5.247399  198.6164 22.88080 136.7309 54.41341 61.88554       59.02839 
1 1 1 -21 15 15 o 144.2281 30.07997 5.224971       1.974712  6.090119       2.158125  0.7743703      4.894864  155.8596 30.52784 117.7992 50.20479 38.06033       58.75772 
1 1 1 -21 15 16 o 351.6652 16.55392 29.41042       2.738417  31.74868       3.090902  20.87680       5.904807  365.0111 18.00154 283.3845 45.86253 81.62659       49.26893 
1 1 1 -21 15 17 o 315.2728 18.01684 23.80021       2.660900  26.76337       3.088403  15.26415       5.241857  333.7954 19.75704 239.0086 48.28519 94.78676       52.17087 
1 1 1 -21 15 18 o 333.0844 17.90411 26.59755       2.794987  26.03462       3.345834  27.89760       5.084586  328.0399 21.80667 333.9456 32.79053 -5.905640      39.37956 
1 1 1 -21 15 19 o 226.9485 26.53515 12.74916       2.779332  12.97665       3.085850  11.77170       6.396569  227.6906 29.50493 199.3648 61.80370 28.32581       68.48531 
1 1 1 -21 15 20 o 61.40001 29.60258 -3.585397      2.553844  -2.725060      2.745665  -9.105232      6.954667  68.52509 32.37900 97.92651 47.60518 -29.40142      57.57302 
1 1 1 -21 15 21 o 298.5360 19.37362 21.58438       2.705972  25.37979       3.734400  17.38854       3.926465  320.8735 24.93690 260.9201 32.70964 59.95340       41.13112 
1 1 1 -21 15 22 o 150.5316 32.53407 5.941428       2.236543  3.653040       3.187152  8.161601       3.139290  120.8853 43.68314 173.5025 39.36716 -52.61726      58.80467 
1 1 1 -21 15 23 o 251.6098 21.31633 15.56565       2.499239  14.22035       3.990722  16.43376       3.205746  229.9424 38.23743 255.2567 27.11335 -25.31422      46.87467 
1 1 1 -21 15 24 o 396.5105 27.02349 39.75589       5.010355  39.75589       5.010355  0.000000       0.000000  396.5105 27.02349 ?        ?        0.000000       27.02349 
1 1 1 -21 15 25 o 180.2981 29.28400 8.531210       2.398432  11.24351       4.067200  7.085153       2.969747  194.5824 45.28451 157.1275 40.05784 37.45482       60.45922 
1 1 1 -21 15 26 o 165.8208 35.44621 7.717868       2.681071  7.458384       6.007709  7.782399       2.995954  145.7316 58.15067 163.3801 39.43257 -17.64853      70.25972 
1 1 1 -21 15 27 o 127.0455 40.53349 4.931037       2.732298  5.095125       5.833409  4.884921       3.092504  126.8561 54.45396 125.1877 43.22337 1.668373       69.52333 
1 1 1 -21 15 28 o 135.5314 41.76243 5.967156       2.925721  0.5017836      5.864929  7.777805       3.375747  102.5756 48.11031 152.4445 44.38267 -49.86887      65.45551 
1 1 1 -21 15 29 o 119.9204 44.58456 5.166868       3.357781  8.483949       5.644563  3.350179       4.177270  133.8986 55.26817 105.2839 45.63895 28.61476       71.67625 
1 1 1 -21 17 1  o 240.8684 20.96190 13.83542       2.351409  23.31154       6.287123  12.29435       2.535411  307.4190 44.79257 226.4097 24.17984 81.00934       50.90225 
1 1 1 -21 17 2  o 745.0531 13.73326 130.9306       4.813159  125.8759       8.050153  133.7428       6.004639  728.5532 23.48949 752.4539 16.96437 -23.90063      28.97492 
1 1 1 -21 17 3  o 675.3792 13.28237 107.5782       4.219806  115.3564       7.154116  103.4282       5.225651  697.7554 21.79633 661.6835 16.78884 36.07196       27.51264 
1 1 1 -21 17 4  o 190.5210 28.26130 8.828116       2.456034  3.964164       3.648971  12.85672       3.320879  134.1861 46.91603 229.9152 31.53639 -95.72905      56.53015 
1 1 1 -21 17 5  o 224.6956 23.37917 12.11168       2.434930  10.39729       3.323068  14.09929       3.578076  205.2409 35.71693 240.6309 32.43679 -35.39003      48.24775 
1 1 1 -21 17 6  o 498.6437 18.06920 58.82931       4.238368  58.82931       4.238368  0.000000       0.000000  498.6437 18.06920 ?        ?        0.000000       18.06920 
1 1 1 -21 17 7  o 672.3290 13.34424 106.6861       4.220317  104.8963       4.918489  111.6825       8.217716  666.2239 15.69431 684.7551 25.51212 -18.53119      29.95296 
1 1 1 -21 17 8  o 666.9753 12.65930 104.9833       3.971811  101.1410       4.451754  119.9762       8.793808  654.3206 14.46343 709.0480 26.36526 -54.72748      30.07187 
1 1 1 -21 17 9  o 248.9024 16.37213 14.72270       1.906220  13.19426       2.065762  23.48692       4.946665  235.1626 18.83223 310.0631 34.50008 -74.90056      39.30532 
1 1 1 -21 17 10 o 227.4888 17.60884 12.33803       1.869665  12.15941       2.008712  13.49584       5.114179  225.5575 19.11143 228.9203 48.97340 -3.362762      52.57034 
1 1 1 -21 17 11 o 487.0688 14.84533 56.13663       3.401336  55.91572       3.769520  57.10464       7.890740  485.7657 16.49643 483.5558 34.92474 2.209869       38.62473 
1 1 1 -21 17 12 o 193.2634 19.12039 8.966320       1.715461  9.350365       1.815323  5.760999       5.244436  197.2507 19.83319 156.7865 56.10905 40.46417       59.51119 
1 1 1 -21 17 13 o 70.68972 31.18794 -0.4988084     2.027354  -0.6575188     2.191142  0.4453033      5.344162  72.47410 32.17633 120.6716 51.96526 -48.19751      61.12041 
1 1 1 -21 17 14 o 332.2029 16.53064 26.22334       2.583226  27.93324       2.823901  17.45541       6.394591  342.1945 17.60275 254.4488 55.02652 87.74570       57.77348 
1 1 1 -21 17 15 o 395.6427 16.43826 37.23219       3.059344  36.74726       3.163962  44.20333       11.99623  392.8722 17.12027 395.5299 66.85868 -2.657715      69.01585 
1 1 1 -21 17 16 f 322.4897 17.65152 24.88283       2.667572  26.63738       2.991002  18.06084       5.897785  333.1989 19.16361 259.2995 50.16624 73.89944       53.70192 
1 1 1 -21 17 17 o 240.2573 22.15140 14.02151       2.475303  15.70470       2.806983  8.135113       5.249254  253.7792 23.79104 171.9523 56.29536 81.82686       61.11613 
1 1 1 -21 17 18 o 444.1219 16.39233 47.07624       3.424618  51.12257       4.092177  37.61904       6.256122  461.7395 18.84031 386.0317 34.82690 75.70776       39.59634 
1 1 1 -21 17 19 o 333.6129 24.14610 27.21332       3.763684  26.32283       5.104961  28.27373       5.570801  322.0432 34.22280 332.4533 36.20741 -10.41013      49.82145 
1 1 1 -21 17 20 o 341.4043 20.64193 28.27366       3.299451  28.69230       3.622215  26.23365       7.995915  342.9150 22.58164 299.0721 58.93179 43.84296       63.11012 
1 1 1 -21 17 21 o 286.0003 20.42043 19.91458       2.729206  23.75733       3.789779  15.77463       3.933597  309.1556 26.30976 246.4809 34.90183 62.67476       43.70745 
1 1 1 -21 17 22 o 113.9520 38.42573 3.356038       2.441614  5.675471       3.354257  0.7419739      3.560930  142.3582 44.85676 98.64246 42.44882 43.71577       61.75784 
1 1 1 -21 17 23 f 128.0380 38.22127 4.504560       2.477507  5.791184       3.675816  3.433527       3.353740  141.6670 47.14400 117.5228 44.38142 24.14420       64.74772 
1 1 1 -21 17 24 o 148.2227 39.76481 6.259166       2.830038  10.33294       4.979370  4.315332       3.439583  178.4184 54.39573 124.6712 45.32956 53.74727       70.80723 
1 1 1 -21 17 25 o 239.7122 27.17647 14.89305       3.010298  9.372771       5.810458  16.91836       3.519457  161.1509 58.86679 253.0295 30.16338 -91.87857      66.14476 
1 1 1 -21 17 26 o 216.5457 29.65973 12.58121       2.941845  6.801427       5.843631  14.54330       3.404766  138.2679 56.55482 230.4988 32.28739 -92.23085      65.12238 
1 1 1 -21 17 27 o 127.8540 41.09760 5.173929       2.804878  4.239002       5.466421  5.508046       3.267860  118.6763 51.81709 129.2121 44.44224 -10.53581      68.26509 
1 1 1 -21 19 1  o 395.0131 24.68288 37.26177       4.563461  35.99881       6.930890  38.22831       6.063210  383.9697 38.91006 397.8985 32.68251 -13.92880      50.81475 
1 1 1 -21 19 2  o 376.2606 16.04821 33.46392       2.840433  32.44176       5.373087  33.86037       3.346231  366.6251 31.46009 378.1320 18.81236 -11.50690      36.65572 
1 1 1 -21 19 3  o 143.4062 32.34863 5.126991       2.130234  5.260866       4.156650  5.079305       2.480783  149.3280 50.13773 142.3934 36.77820 6.934601       62.18061 
1 1 1 -21 19 4  o 379.0142 17.21796 33.99524       3.069774  30.20986       4.197636  38.34721       4.500836  355.1734 25.28955 400.7003 23.98865 -45.52692      34.85709 
1 1 1 -21 19 5  o 306.1712 19.15419 22.30892       2.744782  18.82378       3.503823  27.84483       4.415969  279.4541 26.98989 340.1339 27.84388 -60.67978      38.77803 
1 1 1 -21 19 6  o 183.0137 32.68732 8.296860       2.710798  8.296860       2.710798  0.000000       0.000000  183.0137 32.68732 ?        ?        0.000000       32.68732 
1 1 1 -21 19 7  o 174.3515 27.22565 7.442980       2.159933  6.849969       2.562021  8.900120       4.016075  165.4786 34.04903 186.2120 46.09505 -20.73341      57.30698 
1 1 1 -21 19 8  o 122.0855 35.30005 3.704015       2.142060  6.319858       2.460377  -4.488704      4.354215  158.6863 33.98497 86.67725 40.90095 72.00906       53.17768 
1 1 1 -21 19 9  o 496.7679 12.65987 58.30565       2.958367  57.50263       3.231954  62.45541       7.347044  493.1001 13.93352 507.6251 30.91539 -14.52499      33.91024 
1 1 1 -21 19 10 o 270.0694 15.48684 17.33644       1.959249  17.26446       2.102256  17.81213       5.404468  269.2813 16.67834 264.0448 45.13310 5.236542       48.11615 
1 1 1 -21 19 11 o 181.7591 25.59084 8.083716       2.127431  8.244993       2.312782  7.196790       5.423652  183.0023 27.73560 168.6398 57.26833 14.36255       63.63117 
1 1 1 -21 19 12 o 139.6744 24.62743 4.818491       1.558967  4.899796       1.625877  3.891201       5.490804  140.6550 25.51283 142.8075 56.02998 -2.152557      61.56512 
1 1 1 -21 19 13 o 253.1884 21.00831 15.43775       2.479496  15.79998       2.751134  13.87039       5.722727  255.5357 23.13806 226.0651 54.46023 29.47060       59.17167 
1 1 1 -21 19 14 o 229.4435 24.93532 12.84495       2.647960  12.84495       2.647960  0.000000       0.000000  229.4435 24.93532 ?        ?        0.000000       24.93532 
1 1 1 -21 19 15 o 521.1329 13.49004 64.40698       3.306977  67.66874       3.802690  54.28571       6.698579  533.5912 15.15001 469.6899 30.48289 63.90131       34.04012 
1 1 1 -21 19 16 o 142.1743 30.87752 5.149699       2.005922  5.522083       2.181996  3.117695       5.097074  146.8674 32.44839 132.2105 53.27833 14.65692       62.38172 
1 1 1 -21 19 17 o 106.2199 35.68071 2.724883       2.105151  4.511047       2.295764  -6.711210      5.276703  131.7782 36.01024 88.32282 42.57510 43.45536       55.76178 
1 1 1 -21 19 18 o 362.7536 23.17198 32.02925       3.933425  30.08324       4.967324  35.30103       6.440815  347.1254 30.73839 371.2499 37.39011 -24.12445      48.40319 
1 1 1 -21 19 19 o 133.4913 36.91702 4.706613       2.396065  5.807446       2.700009  0.6263471      5.198148  147.5770 38.49210 115.5083 50.47914 32.06873       63.48058 
1 1 1 -21 19 20 o 64.56773 30.71445 -2.807666      2.551142  -2.559299      2.724236  -4.577884      7.272964  68.64355 32.37933 111.3928 52.65395 -42.74924      61.81310 
1 1 1 -21 19 21 o 250.5612 26.41512 15.73435       3.066490  15.90270       3.511219  15.19322       6.295273  249.3938 30.56980 220.3745 59.38615 29.01930       66.79242 
1 1 1 -21 19 22 o 247.9069 25.02517 15.40757       2.878391  17.85901       3.792806  12.07810       4.420149  262.6893 31.31060 203.9682 47.03041 58.72108       56.49967 
1 1 1 -21 19 23 o 293.1450 32.40452 22.61327       4.393737  22.61327       4.393737  0.000000       0.000000  293.1450 32.40452 ?        ?        0.000000       32.40452 
1 1 1 -21 19 24 f 124.5611 42.62672 4.492189       3.005101  7.285970       5.825351  3.479117       3.507890  147.1252 57.71561 115.4131 44.92233 31.71204       73.13760 
1 1 1 -21 19 25 o 126.6155 43.53926 4.891520       3.136331  3.995244       6.067190  5.218361       3.663827  124.1961 54.39891 129.0981 46.80758 -4.902054      71.76482 
1 1 1 -21 19 26 o 83.83683 37.27934 0.3712490      2.952417  -1.535375      5.498896  1.143496       3.499622  95.66225 45.38465 93.53054 41.13223 2.131706       61.25052 
1 1 1 -21 21 1  o 478.7174 19.58218 54.39066       4.409705  41.82521       10.41637  57.13437       4.867390  403.7856 56.37765 490.2868 21.10457 -86.50119      60.19836 
1 1 1 -21 21 2  o 228.4405 22.18647 12.53271       2.354063  13.44706       4.660918  12.21960       2.727508  230.1515 44.66247 224.6035 26.31419 5.547989       51.83795 
1 1 1 -21 21 3  o 825.2680 13.91029 160.9609       5.400083  155.9082       8.258458  164.7350       7.137361  809.4340 21.68944 833.4614 18.20467 -24.02740      28.31681 
1 1 1 -21 21 4  o 157.7567 34.47931 6.253109       2.487231  7.849784       3.494402  4.613556       3.541013  175.2579 42.76434 138.8801 46.27409 36.37781       63.00858 
1 1 1 -21 21 5  o 185.5199 37.35361 8.671091       3.147031  8.671091       3.147031  0.000000       0.000000  185.5199 37.35361 ?        ?        0.000000       37.35361 
1 1 1 -21 21 6  o 91.73316 35.77159 1.327775       2.227483  2.644263       2.575531  -2.579667      4.437155  110.4940 39.34386 95.69329 43.80701 14.80069       58.88119 
1 1 1 -21 21 7  o 451.7009 19.41638 48.52637       4.125614  45.61532       5.159803  53.68609       6.869434  435.5761 25.29144 470.0472 31.24575 -34.47113      40.19893 
1 1 1 -21 21 8  o 220.2294 23.48639 11.72877       2.395571  11.72877       2.395571  0.000000       0.000000  220.2294 23.48639 ?        ?        0.000000       23.48639 
1 1 1 -21 21 9  o 161.4102 24.01962 6.372798       1.768178  6.744567       1.889675  3.757432       5.012065  165.8981 24.98994 139.2086 53.83187 26.68954       59.34954 
1 1 1 -21 21 10 o 298.7613 19.02674 21.34379       2.660060  20.66370       3.008763  23.77824       5.692533  293.1389 21.97953 307.0970 40.38525 -13.95813      45.97900 
1 1 1 -21 21 11 o 112.6610 28.20386 3.191059       1.491258  2.603033       1.541085  11.84602       5.912356  102.4576 30.03300 208.0121 58.15782 -105.5544      65.45467 
1 1 1 -21 21 12 f 470.7670 12.32669 52.43859       2.729744  54.01205       2.933369  42.27111       7.456686  477.6039 13.05658 410.1956 39.11838 67.40836       41.23981 
1 1 1 -21 21 13 o 130.1723 35.85244 4.335660       2.265243  4.377142       2.455981  4.099287       5.862650  130.8349 37.78913 145.2515 57.60613 -14.41658      68.89474 
1 1 1 -21 21 14 o 546.8575 17.47838 71.30315       4.496191  71.30315       4.496191  0.000000       0.000000  546.8575 17.47838 ?        ?        0.000000       17.47838 
1 1 1 -21 21 15 o 182.0084 22.34699 8.089591       1.873092  8.042369       1.956888  8.605827       6.470189  181.1159 23.52438 177.4044 62.44570 3.711517       66.72977 
1 1 1 -21 21 16 o 368.5788 14.76054 32.31885       2.559186  33.55290       2.737601  23.76635       7.206927  375.3294 15.50559 293.1249 54.26562 82.20453       56.43740 
1 1 1 -21 21 17 o 142.0048 32.90181 5.219750       2.154764  4.591402       2.390651  7.940714       4.974816  132.4237 36.96658 168.4184 54.78778 -35.99471      66.09258 
1 1 1 -21 21 18 f 98.36188 36.41166 2.088715       2.234787  3.800253       2.524644  -4.107421      4.803605  121.3738 38.98804 90.51990 42.78883 30.85394       57.88740 
1 1 1 -21 21 19 o 76.51176 33.93097 -0.4462503     2.430039  0.7817606      2.761023  -4.666765      5.118605  90.73782 38.14113 91.34757 43.46888 -0.6097488     57.82983 
1 1 1 -21 21 20 o 338.3112 21.04490 27.97380       3.332540  38.13497       4.219826  11.13359       5.432461  393.8763 22.87388 190.2360 56.55399 203.6403       61.00466 
1 1 1 -21 21 21 o 469.7153 20.05010 53.80032       4.430171  59.53427       5.146513  37.39596       8.704940  492.1146 22.23195 353.2566 54.10842 138.8580       58.49770 
1 1 1 -21 21 22 o 354.1719 20.86619 30.93790       3.461015  45.65983       4.922968  16.55033       4.866745  426.6898 24.63180 239.3524 44.87328 187.3373       51.18923 
1 1 1 -21 21 23 o 326.7342 23.02869 26.81648       3.516778  38.92986       5.191468  16.54366       4.780821  387.3353 28.69686 236.7575 44.56215 150.5778       53.00278 
1 1 1 -21 21 24 o 253.8239 31.21784 17.35396       3.648821  14.53627       6.188521  18.85550       4.517616  195.0998 60.84117 256.5984 38.62433 -61.49860      72.06586 
1 1 1 -21 23 1  o 210.0915 30.30345 10.84203       2.908215  11.18902       4.905544  10.65398       3.611261  207.0823 50.75349 205.6447 38.75269 1.437546       63.85678 
1 1 1 -21 23 2  o 205.2735 32.18771 10.41842       3.005879  8.002496       4.730814  12.05410       3.892632  175.9931 52.87944 218.8062 39.26206 -42.81310      65.86156 
1 1 1 -21 23 3  o 304.2781 19.60495 22.10302       2.791181  19.87752       4.429701  23.56843       3.594525  284.3218 33.78143 312.9402 24.61677 -28.61847      41.79916 
1 1 1 -21 23 4  o 321.3709 20.38643 24.68244       3.065932  21.35485       3.823242  30.67776       5.131845  296.7945 27.70496 354.9299 31.04940 -58.13541      41.61286 
1 1 1 -21 23 5  o 304.1110 24.41638 22.27847       3.463423  22.27847       3.463423  0.000000       0.000000  304.1110 24.41638 ?        ?        0.000000       24.41638 
1 1 1 -21 23 6  o 647.6412 14.36223 99.28973       4.375479  96.23121       4.995718  109.3639       9.066636  636.8774 16.67527 673.3110 28.62603 -36.43359      33.12875 
1 1 1 -21 23 7  o 96.00802 35.29453 1.855026       2.093489  2.531872       2.362149  -0.6230679     4.519822  106.9928 37.72341 106.1604 46.71426 0.8323364      60.04396 
1 1 1 -21 23 8  o 341.7157 15.80034 27.69690       2.539808  29.02614       2.848315  22.53865       5.610964  349.5230 17.32379 298.8745 40.98948 50.64853       44.50002 
1 1 1 -21 23 9  o 202.9493 19.82714 9.912272       1.868675  10.08633       1.987173  8.582046       5.493559  204.4740 20.95591 180.0454 57.47807 24.42868       61.17908 
1 1 1 -21 23 10 o 535.7063 15.84975 68.13421       3.994096  70.50281       4.634497  61.29608       7.874541  544.1648 18.10518 498.9597 33.74828 45.20508       38.29810 
1 1 1 -21 23 11 o 401.8168 12.73966 38.21990       2.407993  38.42633       2.570669  36.74198       6.878340  402.7268 13.56958 382.3677 38.77776 20.35910       41.08343 
1 1 1 -21 23 12 o 236.9915 16.13262 13.41583       1.787783  13.11278       1.870339  16.62307       6.084595  234.0643 17.10543 247.3277 53.82745 -13.26338      56.48000 
1 1 1 -21 23 13 o 452.0460 13.81901 48.48162       2.938521  48.48162       2.938521  0.000000       0.000000  452.0460 13.81901 ?        ?        0.000000       13.81901 
1 1 1 -21 23 14 o 94.55215 35.65734 1.754105       2.162924  0.9606221      2.311232  7.348395       6.136874  87.82584 35.70417 167.1201 60.58121 -79.29424      70.31978 
1 1 1 -21 23 15 o 176.3925 29.25965 7.829169       2.342748  7.076410       2.511153  12.88347       6.506925  166.0008 33.31646 209.3663 61.81005 -43.36543      70.21730 
1 1 1 -21 23 16 f 129.8395 37.81441 4.415336       2.450143  4.389520       2.677691  4.548157       6.073629  129.6221 39.95491 145.0654 58.26412 -15.44322      70.64774 
1 1 1 -21 23 17 o 124.8657 42.05018 4.007187       2.923902  4.007187       2.923902  0.000000       0.000000  124.8657 42.05018 ?        ?        0.000000       42.05018 
1 1 1 -21 23 18 o 417.9672 16.20424 41.88091       3.185959  45.33284       3.511291  25.79965       7.578721  434.3388 17.18576 296.1265 56.46728 138.2123       59.02460 
1 1 1 -21 23 19 f 83.56618 35.82450 0.3720200      2.518866  -0.6243501     3.143275  2.160074       4.210778  84.92344 38.06294 114.0552 47.45941 -29.13176      60.83735 
1 1 1 -21 23 20 o 130.6129 43.26650 4.750447       3.097322  3.134830       3.548484  9.919739       6.347301  115.8360 45.15529 172.6591 61.73399 -56.82302      76.48586 
1 1 1 -21 23 21 o 81.92337 36.97146 -0.6251128     3.023613  -0.3270152     3.590925  -1.351368      5.604949  90.30694 40.56490 103.9843 48.18572 -13.67737      62.98710 
1 1 1 -21 23 22 o 181.2979 35.52228 9.103715       2.921097  13.05366       4.022730  4.697690       4.248629  212.1884 41.78932 127.6142 49.50293 84.57419       64.78339 
1 1 1 -21 25 1  o 595.3326 15.84935 83.97372       4.438545  63.81478       6.588703  100.7236       6.005812  514.6111 27.31552 650.7446 19.61968 -136.1335      33.63137 
1 1 1 -21 25 2  f 245.1026 28.44666 14.64977       3.218820  17.01176       5.013567  12.99346       4.198354  259.1500 42.60814 226.4367 40.92122 32.71329       59.07622 
1 1 1 -21 25 3  f 111.2856 41.84340 2.402350       2.973954  2.104113       4.084064  2.739002       4.339128  119.4685 47.85014 126.6909 49.77598 -7.222359      69.04552 
1 1 1 -21 25 4  o 98.80159 39.40656 1.376754       2.757758  1.730186       3.424571  0.7247325      4.651407  109.6285 43.84936 115.6121 49.09840 -5.983627      65.82871 
1 1 1 -21 25 5  o 166.6702 38.96952 7.110917       3.000631  7.110917       3.000631  0.000000       0.000000  166.6702 38.96952 ?        ?        0.000000       38.96952 
1 1 1 -21 25 6  o 115.2317 36.65827 3.235824       2.236065  3.487628       2.522674  2.312723       4.830082  119.9605 39.01401 127.3031 51.66604 -7.342606      64.74158 
1 1 1 -21 25 7  o 84.47131 34.37876 0.7895141      2.145844  -1.853086      2.306425  17.80916       5.853274  66.47894 30.84277 260.6664 49.54699 -194.1874      58.36250 
1 1 1 -21 25 8  f 141.0550 30.38099 5.012918       1.956296  5.680590       2.089056  0.2551130      5.576634  150.2960 30.58869 121.2950 52.65586 29.00093       60.89587 
1 1 1 -21 25 9  o 209.6452 27.13163 10.79697       2.612888  14.13957       2.918185  -2.717301      5.867692  240.6446 26.20258 110.1633 50.41097 130.4813       56.81409 
1 1 1 -21 25 10 o 199.1368 20.08493 9.575727       1.855746  9.732587       1.952292  8.106421       5.975103  200.5376 21.00750 174.8449 60.09725 25.69267       63.66314 
1 1 1 -21 25 11 o 156.6859 23.58306 6.039141       1.684325  5.377230       1.754612  13.80797       6.011168  146.8900 26.36203 222.4633 57.14129 -75.57326      62.92920 
1 1 1 -21 25 12 o 167.3970 22.39475 6.860370       1.719252  7.290777       1.800352  2.403389       5.793462  172.5475 22.73449 132.8868 55.51328 39.66064       59.98817 
1 1 1 -21 25 13 o 164.7770 24.37503 6.711887       1.832330  7.285215       1.922554  1.030024       6.052326  171.7612 24.48828 126.6250 54.91260 45.13618       60.12545 
1 1 1 -21 25 14 o 433.8869 17.43634 45.04857       3.558781  53.27139       4.138545  21.71225       6.971936  471.2377 18.66974 277.4877 55.35286 193.7499       58.41659 
1 1 1 -21 25 15 o 137.9650 38.09233 5.047246       2.553467  4.952259       2.810512  5.496433       6.111784  136.4540 40.70342 150.3939 59.07927 -13.93994      71.74349 
1 1 1 -21 25 16 o 138.6121 40.89053 5.182919       2.848716  7.851130       3.307429  -2.484840      5.606795  169.6792 41.72770 104.3655 48.30279 65.31368       63.83072 
1 1 1 -21 25 17 o 296.0609 20.50029 21.37672       2.837457  25.76458       3.197517  5.118906       6.154845  324.8469 21.03799 144.5104 58.43675 180.3365       62.10838 
1 1 1 -21 25 18 o 238.8680 25.36578 14.29628       2.806587  19.35269       3.215262  -1.887931      5.752292  278.6086 24.79216 105.7199 48.92820 172.8887       54.85089 
1 1 1 -21 25 19 o 268.5079 26.97432 18.29705       3.360962  18.29705       3.360962  0.000000       0.000000  268.5079 26.97432 ?        ?        0.000000       26.97432 
1 1 1 -21 27 1  o 326.3087 19.40275 25.44555       2.964831  16.47085       4.291956  33.63704       4.100407  256.7233 36.57434 374.0552 23.42161 -117.3319      43.43102 
1 1 1 -21 27 2  o 425.9091 17.45214 43.11000       3.496512  40.47990       5.384435  45.02779       4.597835  408.4434 28.19726 433.1967 22.64173 -24.75336      36.16260 
1 1 1 -21 27 3  o 241.1025 29.98883 14.29769       3.327699  12.28828       4.278321  17.37515       5.294620  218.3017 43.19209 259.7598 44.95819 -41.45807      62.34417 
1 1 1 -21 27 4  o 121.2768 46.53489 2.815608       3.724326  2.815608       3.724326  0.000000       0.000000  121.2768 46.53489 ?        ?        0.000000       46.53489 
1 1 1 -21 27 5  o 264.8482 23.09726 16.94859       2.848776  15.92146       3.292311  20.00892       5.682935  255.0894 27.89165 278.5734 44.89317 -23.48404      52.85206 
1 1 1 -21 27 6  o 253.6694 22.44693 15.54704       2.650864  17.43449       3.094375  10.34186       5.138710  267.9721 24.83000 195.3278 54.08079 72.64433       59.50850 
1 1 1 -21 27 7  f 172.1704 29.87068 7.412241       2.331489  8.220339       2.649631  4.640309       4.907326  180.6808 32.36342 143.7178 53.80668 36.96291       62.78973 
1 1 1 -21 27 8  o 265.9508 19.02173 16.97964       2.363983  19.08367       2.655524  8.944710       5.189366  281.6774 20.17505 181.0719 55.59030 100.6055       59.13810 
1 1 1 -21 27 9  o 53.58286 26.42707 -4.989391      2.391308  -5.869843      2.758401  -2.326100      4.797487  57.03600 28.17666 99.37081 45.51275 -42.33481      53.52882 
1 1 1 -21 27 10 o 205.3800 21.40611 10.24719       2.037679  10.58775       2.188333  8.026160       5.588494  208.3983 22.68952 171.5235 58.13267 36.87473       62.40369 
1 1 1 -21 27 11 o 67.06361 29.17951 -0.1668141     1.720278  -0.1857396     1.824880  -0.1578181E-01 5.155197  68.89505 30.01405 113.3667 49.88742 -44.47169      58.22025 
1 1 1 -21 27 12 o 325.5969 16.70177 25.39720       2.549459  25.39720       2.549459  0.000000       0.000000  325.5969 16.70177 ?        ?        0.000000       16.70177 
1 1 1 -21 27 13 o 120.6213 33.45381 3.778601       1.964576  4.516975       2.110836  -1.002378      5.371241  131.5020 33.90576 109.3104 49.30884 22.19162       59.84114 
1 1 1 -21 27 14 o 253.4998 20.69278 15.65001       2.446025  15.96350       2.672749  14.03389       6.068589  255.2625 22.48851 216.1791 58.32882 39.08340       62.51387 
1 1 1 -21 27 15 o 248.0553 26.90473 15.40516       3.089071  16.26122       3.674283  13.34126       5.705093  252.0872 31.68511 210.1723 56.49065 41.91487       64.76991 
1 1 1 -21 27 16 o 81.50397 36.33327 -0.4789237     2.822990  -1.035587      3.395587  0.7669442      5.079891  85.72737 38.88753 112.4442 49.50066 -26.71684      62.94883 
1 1 1 -21 29 1  o 230.7656 25.27905 12.98763       2.699209  8.844235       3.704431  17.67727       3.941065  183.6773 43.53823 267.0266 32.01365 -83.34929      54.04120 
1 1 1 -21 29 2  o 264.9105 23.07617 16.98615       2.846903  9.605852       3.963500  24.85207       4.091825  190.8981 44.89144 319.0431 27.53428 -128.1450      52.66287 
1 1 1 -21 29 3  o 91.37951 36.55790 1.181058       2.380914  -0.3737404     3.358334  2.752237       3.375978  92.20349 40.42693 117.0675 44.45129 -24.86396      60.08539 
1 1 1 -21 29 4  o 141.7662 46.31819 5.118373       3.554165  5.118373       3.554165  0.000000       0.000000  141.7662 46.31819 ?        ?        0.000000       46.31819 
1 1 1 -21 29 5  o 364.8114 20.94277 32.02407       3.578887  30.90731       4.397319  34.21522       6.159517  356.0034 26.44709 369.3126 35.90957 -13.30927      44.59760 
1 1 1 -21 29 6  o 89.23381 36.32418 0.9741557      2.396168  -1.113122      2.738258  7.797266       4.950799  78.02654 35.20094 169.5849 54.60990 -91.55837      64.97189 
1 1 1 -21 29 7  o 184.1198 29.55724 8.499076       2.473356  10.56757       2.885951  2.776457       4.800198  205.2079 30.85155 127.5641 51.59885 77.64379       60.11871 
1 1 1 -21 29 8  o 303.4731 23.93069 22.43952       3.388491  22.72843       4.182417  21.88764       5.780559  302.6221 29.76546 288.4128 44.00086 14.20932       53.12304 
1 1 1 -21 29 9  o 361.0927 16.26575 31.12209       2.762880  38.54330       3.224221  10.61237       5.360033  401.5483 17.06938 192.6901 55.87583 208.8582       58.42493 
1 1 1 -21 29 10 f 252.7087 19.71071 15.45576       2.324577  18.24093       2.609201  4.738407       5.118298  274.4017 20.35913 141.6889 54.50866 132.7128       58.18666 
1 1 1 -21 29 11 o 323.0817 17.07552 25.07714       2.585893  26.35209       2.815933  18.21641       6.532223  330.7599 18.16802 250.0431 56.82585 80.71677       59.65949 
1 1 1 -20 0  1  o 149.6192 59.62417 7.314442       4.059369  7.314442       4.059369  7.314442       4.059369  149.6192 59.62417 149.6192 59.62417 0.000000       0.000000 
1 1 1 -20 0  2  o 373.7641 24.73004 33.32846       4.304347  33.32846       4.304347  33.32846       4.304347  373.7641 24.73004 373.7641 24.73004 0.000000       0.000000 
1 1 1 -20 0  3  o 1165.725 20.59187 320.1998       11.28380  320.1998       11.28380  320.1998       11.28380  1165.725 20.59187 1165.725 20.59187 0.000000       0.000000 
1 1 1 -20 0  4  o 438.0634 24.75398 45.62241       5.063702  45.62241       5.063702  45.62241       5.063702  438.0634 24.75398 438.0634 24.75398 0.000000       0.000000 
1 1 1 -20 0  5  o 552.4493 22.25963 72.20571       5.763346  72.20571       5.763346  72.20571       5.763346  552.4493 22.25963 552.4493 22.25963 0.000000       0.000000 
1 1 1 -20 0  6  o 1070.901 25.24535 270.5410       12.70148  270.5410       12.70148  270.5410       12.70148  1070.901 25.24535 1070.901 25.24535 0.000000       0.000000 
1 1 1 -20 0  7  o 1106.145 19.60667 288.2864       10.19477  288.2864       10.19477  288.2864       10.19477  1106.145 19.60667 1106.145 19.60667 0.000000       0.000000 
1 1 1 -20 0  8  o 671.4655 16.87360 106.3107       5.322070  106.3107       5.322070  106.3107       5.322070  671.4655 16.87360 671.4655 16.87360 0.000000       0.000000 
1 1 1 -20 0  9  o 448.8234 16.43048 47.59886       3.458378  47.59886       3.458378  47.59886       3.458378  448.8234 16.43048 448.8234 16.43048 0.000000       0.000000 
1 1 1 -20 0  10 o 889.0642 16.67317 186.2325       6.967484  186.2325       6.967484  186.2325       6.967484  889.0642 16.67317 889.0642 16.67317 0.000000       0.000000 
1 1 1 -20 0  11 o 52.88902 34.55238 -0.2634757     2.112023  -0.2634757     2.112023  -0.2634757     2.112023  52.88902 34.55238 52.88902 34.55238 0.000000       0.000000 
1 1 1 -20 0  12 o 54.42772 36.86240 -1.425387      2.800764  -1.425387      2.800764  -1.425387      2.800764  54.42772 36.86240 54.42772 36.86240 0.000000       0.000000 
1 1 1 -20 0  13 o 542.0848 16.02164 69.35004       4.077410  69.35004       4.077410  69.35004       4.077410  542.0848 16.02164 542.0848 16.02164 0.000000       0.000000 
1 1 1 -20 0  14 o 316.6408 20.18386 23.89959       2.978347  23.89959       2.978347  23.89959       2.978347  316.6408 20.18386 316.6408 20.18386 0.000000       0.000000 
1 1 1 -20 0  15 o 81.43169 44.32336 2.209408       2.401250  2.209408       2.401250  2.209408       2.401250  81.43169 44.32336 81.43169 44.32336 0.000000       0.000000 
1 1 1 -20 0  16 o 195.0302 30.43863 9.606461       2.589790  9.606461       2.589790  9.606461       2.589790  195.0302 30.43863 195.0302 30.43863 0.000000       0.000000 
1 1 1 -20 0  17 o 74.22123 49.81441 -1.861772      4.897724  -1.861772      4.897724  -1.861772      4.897724  74.22123 49.81441 74.22123 49.81441 0.000000       0.000000 
1 1 1 -20 0  18 o 285.0142 23.41602 19.55242       3.090664  19.55242       3.090664  19.55242       3.090664  285.0142 23.41602 285.0142 23.41602 0.000000       0.000000 
1 1 1 -20 0  19 o 228.6733 27.54325 12.88787       2.848912  12.88787       2.848912  12.88787       2.848912  228.6733 27.54325 228.6733 27.54325 0.000000       0.000000 
1 1 1 -20 0  20 o 59.06033 38.25920 -0.8206373E-01 2.514084  -0.8206373E-01 2.514084  -0.8206373E-01 2.514084  59.06033 38.25920 59.06033 38.25920 0.000000       0.000000 
1 1 1 -20 0  21 o 252.2066 28.90606 15.66225       3.312716  15.66225       3.312716  15.66225       3.312716  252.2066 28.90606 252.2066 28.90606 0.000000       0.000000 
1 1 1 -20 0  22 o 376.6056 22.59505 33.92272       3.969855  33.92272       3.969855  33.92272       3.969855  376.6056 22.59505 376.6056 22.59505 0.000000       0.000000 
1 1 1 -20 0  23 o 235.2419 32.55524 13.92136       3.405663  13.92136       3.405663  13.92136       3.405663  235.2419 32.55524 235.2419 32.55524 0.000000       0.000000 
1 1 1 -20 0  24 o 626.2899 20.75428 93.21985       6.099164  93.21985       6.099164  93.21985       6.099164  626.2899 20.75428 626.2899 20.75428 0.000000       0.000000 
1 1 1 -20 0  25 o 67.41997 43.51839 0.1274044      3.213529  0.1274044      3.213529  0.1274044      3.213529  67.41997 43.51839 67.41997 43.51839 0.000000       0.000000 
1 1 1 -20 0  26 o 578.1554 46.66747 83.65042       12.50171  83.65042       12.50171  83.65042       12.50171  578.1554 46.66747 578.1554 46.66747 0.000000       0.000000 
1 1 1 -20 0  27 o 412.0418 25.26998 40.95850       4.855756  40.95850       4.855756  40.95850       4.855756  412.0418 25.26998 412.0418 25.26998 0.000000       0.000000 
1 1 1 -20 0  28 o 98.08883 53.95504 3.477490       3.599127  3.477490       3.599127  3.477490       3.599127  98.08883 53.95504 98.08883 53.95504 0.000000       0.000000 
1 1 1 -20 0  29 o 109.3141 55.68415 4.513613       3.598735  4.513613       3.598735  4.513613       3.598735  109.3141 55.68415 109.3141 55.68415 0.000000       0.000000 
1 1 1 -20 0  30 o 125.3925 58.17775 5.907284       3.799289  5.907284       3.799289  5.907284       3.799289  125.3925 58.17775 125.3925 58.17775 0.000000       0.000000 
1 1 1 -20 0  31 o 128.9891 71.03387 6.997622       6.246453  6.997622       6.246453  6.997622       6.246453  128.9891 71.03387 128.9891 71.03387 0.000000       0.000000 
1 1 1 -20 0  32 o 99.72808 62.35521 3.032105       6.008345  3.032105       6.008345  3.032105       6.008345  99.72808 62.35521 99.72808 62.35521 0.000000       0.000000 
1 1 1 -20 2  1  o 396.8299 17.79628 37.10159       3.322026  37.78233       4.751074  36.45042       4.646772  399.2975 25.42682 392.1800 25.32346 7.117584       35.88594 
1 1 1 -20 2  2  o 892.9290 14.14700 187.7374       5.942245  196.7790       9.107572  181.0356       7.841123  913.5537 21.19333 876.4575 19.01858 37.09619       28.47567 
1 1 1 -20 2  3  o 383.7668 19.31468 34.79868       3.475623  35.22223       4.400532  34.09632       5.666714  385.5811 24.38728 378.3205 32.14665 7.260590       40.35030 
1 1 1 -20 2  4  o 429.3980 15.17286 43.42325       3.064762  46.37180       4.064215  39.53627       4.666364  443.5511 19.47887 408.5887 24.38982 34.96240       31.21362 
1 1 1 -20 2  5  o 1403.333 21.48654 464.4168       14.18392  459.2747       20.23733  469.3817       19.88549  1393.587 30.87093 1409.050 30.00134 -15.46301      43.04759 
1 1 1 -20 2  6  o 158.6109 27.92467 6.117898       2.007390  7.693223       3.069420  4.940547       2.653531  176.7750 38.03953 142.0237 38.67502 34.75130       54.24724 
1 1 1 -20 2  7  o 451.6819 12.77394 48.03271       2.714107  51.50378       3.854360  44.61880       3.822493  467.5124 17.52629 435.0883 18.67669 32.42407       25.61229 
1 1 1 -20 2  8  o 327.7662 13.44467 25.29730       2.072925  26.43211       2.713880  23.70796       3.211721  334.4634 17.30862 316.2669 21.71976 18.19656       27.77294 
1 1 1 -20 2  9  o 856.8824 11.90876 172.8649       4.800175  165.7032       6.259335  183.0906       7.479384  838.6267 15.86683 881.3046 18.04141 -42.67786      24.02600 
1 1 1 -20 2  10 o 1004.087 12.39922 237.3991       5.856461  242.9462       8.285384  231.8604       8.279193  1015.194 17.34978 991.7106 17.74736 23.48389       24.81902 
1 1 1 -20 2  11 o 1063.298 14.63430 266.3805       7.319751  266.0779       8.794176  267.0630       13.20625  1062.284 17.59889 1062.582 26.42091 -0.2984619     31.74563 
1 1 1 -20 2  12 o 509.5165 13.52117 61.15953       3.240722  59.48277       5.109375  62.28812       4.191790  501.8449 21.64357 513.9263 17.33921 -12.08139      27.73251 
1 1 1 -20 2  13 o 336.7451 13.45840 26.71919       2.131886  24.15911       2.970927  29.43680       3.060974  319.2574 19.88116 352.6921 18.51465 -33.43466      27.16713 
1 1 1 -20 2  14 o 351.6016 13.60768 29.13683       2.250630  30.38796       3.172740  27.86960       3.193101  358.2338 18.89459 342.8990 19.88131 15.33478       27.42758 
1 1 1 -20 2  15 f 547.6795 11.87482 70.67748       3.059304  76.43983       4.501814  65.73277       4.170210  569.0491 16.81777 527.6945 16.79988 41.35461       23.77127 
1 1 1 -20 2  16 o 218.6727 22.28992 11.44609       2.260776  16.05827       4.996099  10.25851       2.535184  254.4661 43.28819 206.0577 26.78839 48.40846       50.90663 
1 1 1 -20 2  17 o 558.4468 15.20933 73.65908       3.995408  72.66455       4.587414  76.78360       8.131127  554.2715 17.59447 565.7590 30.66728 -11.48749      35.35601 
1 1 1 -20 2  18 o 258.2381 17.23327 15.85757       2.081402  16.03047       3.025152  15.70214       2.868210  258.0609 25.24372 255.6325 24.13773 2.428314       34.92672 
1 1 1 -20 2  19 o 297.9679 16.91628 21.11150       2.361291  22.67803       3.472808  19.76456       3.220218  307.1542 24.23241 286.6545 24.10503 20.49973       34.17985 
1 1 1 -20 2  20 o 595.9897 23.69875 85.10703       6.644060  85.10703       6.644060  0.000000       0.000000  595.9897 23.69875 ?        ?        0.000000       23.69875 
1 1 1 -20 2  21 o 472.0444 15.51858 52.91724       3.445911  51.45660       5.467748  53.87963       4.438247  461.1879 25.30015 474.8618 19.86895 -13.67392      32.16944 
1 1 1 -20 2  22 o 170.9045 28.64265 7.311991       2.221214  6.830348       3.306919  7.707918       2.998257  160.4850 42.95532 172.1279 38.04209 -11.64290      57.37909 
1 1 1 -20 2  23 o 596.4608 14.47757 84.69919       4.062066  78.04797       5.601346  92.07732       5.899500  568.8292 20.93347 618.3134 20.28324 -49.48413      29.14824 
1 1 1 -20 2  24 o 463.1518 19.33962 51.76132       4.213476  47.94888       8.734048  52.91771       4.810232  421.8496 44.69453 466.6249 21.91436 -44.77524      49.77791 
1 1 1 -20 2  25 o 376.6107 21.43314 34.69396       3.781362  36.36029       4.292785  28.92390       7.988199  383.8036 23.89573 310.9326 56.70452 72.87094       61.53380 
1 1 1 -20 2  26 o 262.2384 22.86274 17.05491       2.792080  19.13576       4.169040  15.36254       3.759791  270.2947 33.50747 241.5058 34.03955 28.78894       47.76443 
1 1 1 -20 2  27 o 135.0674 38.95776 5.121737       2.611852  0.7754666      3.551579  10.24079       3.854409  96.97742 42.06030 187.7316 44.35180 -90.75420      61.12406 
1 1 1 -20 2  28 o 81.48998 35.57264 0.2477661      2.574975  0.1599584      4.130331  0.3035912      3.293317  97.37408 43.63842 90.15264 39.76377 7.221443       59.03786 
1 1 1 -20 2  29 o 169.9341 34.32678 8.049551       2.649529  2.775749       3.867155  12.71529       3.637391  109.7881 45.56584 211.1549 38.01828 -101.3668      59.34337 
1 1 1 -20 2  30 o 207.7184 36.64187 12.47208       3.449456  12.47325       7.097564  12.47173       3.946947  164.7253 63.95919 200.5407 43.12149 -35.81543      77.13781 
1 1 1 -20 2  31 o 253.9894 45.44163 21.19324       5.229916  21.08799       7.615856  21.28716       7.194548  204.5452 67.84924 213.9483 65.41711 -9.403137      94.24924 
1 1 1 -20 2  32 o 150.1033 52.71677 9.862297       4.609532  8.692034       6.101779  11.41796       7.035123  129.9830 55.74148 138.5086 59.63449 -8.525543      81.62955 
1 1 1 -20 2  33 o 144.0174 58.07491 13.06481       6.060521  13.06481       6.060521  0.000000       0.000000  144.0174 58.07491 ?        ?        0.000000       58.07491 
1 1 1 -20 4  1  o 572.1684 13.63609 77.07502       3.670144  98.39478       8.535854  72.23966       4.065091  645.4479 28.11360 553.8459 15.60314 91.60199       32.15327 
1 1 1 -20 4  2  o 254.3978 22.53668 15.38220       2.669034  8.758474       4.298346  19.53878       3.405011  188.2534 48.30058 286.5989 25.52373 -98.34555      54.62972 
1 1 1 -20 4  3  o 688.8592 14.45899 111.7365       4.685302  111.3214       5.980868  112.3960       7.538202  687.3292 18.49823 690.2689 23.21561 -2.939636      29.68416 
1 1 1 -20 4  4  o 534.3931 13.95753 67.24058       3.508640  65.55258       4.664081  69.44115       5.325345  527.4105 18.79957 542.7050 20.86002 -15.29456      28.08138 
1 1 1 -20 4  5  o 538.1887 16.43006 68.23031       4.159517  82.16410       8.093057  63.22831       4.848977  589.6150 29.17929 517.8996 19.90376 71.71539       35.32125 
1 1 1 -20 4  6  o 1096.191 15.37134 283.0217       7.926239  285.6664       10.28936  279.1617       12.43056  1100.784 19.87087 1087.551 24.29809 13.23340       31.38867 
1 1 1 -20 4  7  o 414.5642 13.18225 40.46630       2.570696  38.70449       3.508257  42.50914       3.777705  405.2309 18.40431 424.6562 18.91130 -19.42529      26.38855 
1 1 1 -20 4  8  o 416.8843 11.89274 40.91449       2.332205  38.30202       2.952036  45.25289       3.804173  403.2208 15.56358 438.1409 18.45768 -34.92014      24.14355 
1 1 1 -20 4  9  o 1139.200 13.75128 305.6479       7.369066  331.2475       10.59753  281.6818       10.25383  1185.224 19.00792 1092.817 19.94662 92.40723       27.55302 
1 1 1 -20 4  10 o 266.8875 14.82011 16.83293       1.853263  15.77007       2.256919  19.03320       3.247258  257.9174 18.73006 282.7512 24.66109 -24.83377      30.96748 
1 1 1 -20 4  11 o 670.2189 12.83000 105.7964       4.044946  112.9336       4.856230  89.62545       7.309740  692.2900 14.91220 615.6601 25.24013 76.62994       29.31617 
1 1 1 -20 4  12 o 1231.970 13.88479 357.6116       8.046530  366.3019       11.40172  348.9886       11.35743  1245.784 19.45622 1215.898 19.85700 29.88538       27.80009 
1 1 1 -20 4  13 o 648.0440 13.82749 98.97003       4.215190  93.81689       6.430437  102.8525       5.581630  630.0417 21.69711 660.1852 17.97322 -30.14349      28.17448 
1 1 1 -20 4  14 f 372.3158 24.34748 32.96671       4.240690  32.96671       4.240690  0.000000       0.000000  372.3158 24.34748 ?        ?        0.000000       24.34748 
1 1 1 -20 4  15 o 467.6349 17.20431 51.63999       3.784543  51.63999       3.784543  0.000000       0.000000  467.6349 17.20431 ?        ?        0.000000       17.20431 
1 1 1 -20 4  16 o 405.4559 15.70376 38.81805       2.995136  39.53627       5.967210  38.57617       3.462957  405.6233 31.52125 403.9159 18.22581 1.707428       36.41112 
1 1 1 -20 4  17 o 69.17255 29.28444 0.9172338E-01  1.646446  -2.270635      2.397195  2.201193       2.265255  66.32602 30.99601 102.9456 36.87217 -36.61954      48.16959 
1 1 1 -20 4  18 o 787.5533 15.54051 146.7108       5.757241  150.0899       6.750303  137.6932       11.02716  795.7925 18.03242 756.6293 30.98212 39.16321       35.84774 
1 1 1 -20 4  19 o 948.2522 13.59174 212.6093       6.062728  212.0076       8.684674  213.1813       8.467436  944.2518 19.55223 947.1453 19.00492 -2.893555      27.26677 
1 1 1 -20 4  20 o 412.4489 14.92696 40.32101       2.896081  48.03814       4.608941  35.28597       3.722845  448.2239 21.85932 383.9500 20.68887 64.27399       30.09750 
1 1 1 -20 4  21 o 530.1573 13.87883 66.64073       3.461201  67.74654       5.104876  65.69985       4.708831  532.0737 20.39596 524.5345 19.08401 7.539124       27.93196 
1 1 1 -20 4  22 o 307.2029 18.65183 22.66308       2.682599  24.09632       4.485736  21.86513       3.347079  311.3099 31.04582 299.7404 23.93809 11.56949       39.20300 
1 1 1 -20 4  23 o 270.3348 20.63523 17.72265       2.604279  11.65099       4.204944  21.50085       3.317026  207.5388 44.41365 296.3906 23.99709 -88.85179      50.48201 
1 1 1 -20 4  24 o 624.9794 14.60850 93.26157       4.294776  103.8018       6.649225  85.71645       5.625731  653.5627 21.62790 595.2165 20.09253 58.34625       29.52077 
1 1 1 -20 4  25 o 195.4056 27.37239 9.677572       2.447005  10.22175       3.798253  9.291449       3.199456  191.4547 43.20094 185.6088 37.92557 5.845856       57.48626 
1 1 1 -20 4  26 o 162.0390 34.21599 7.034617       2.526230  8.017158       3.888662  6.317166       3.322928  165.0037 47.51927 148.4528 44.25327 16.55089       64.93407 
1 1 1 -20 4  27 o 201.3832 28.32337 10.47392       2.608951  10.76217       3.864407  10.23250       3.536577  193.1172 43.57511 190.4519 40.70990 2.665375       59.63293 
1 1 1 -20 4  28 o 73.34424 33.12989 -0.6147746     2.434331  -1.935585      3.724922  0.3698790      3.216167  82.82558 38.68354 89.65675 39.42991 -6.831161      55.23707 
1 1 1 -20 4  29 o 121.9924 39.38775 4.358437       2.574176  5.773822       3.937330  3.301802       3.401942  134.4213 48.55604 111.6700 44.01026 22.75123       65.53313 
1 1 1 -20 4  30 o 209.5553 37.56783 12.84604       3.567218  11.01665       7.804844  13.32910       4.010634  152.0859 64.03809 207.9659 42.43388 -55.87997      76.82129 
1 1 1 -20 4  31 o 85.12360 38.15206 0.5700769      3.157882  -3.046968      6.098705  1.895108       3.691252  91.81831 44.62276 96.89918 42.43712 -5.080864      61.58003 
1 1 1 -20 4  32 o 129.5567 55.82075 8.867420       6.173140  8.867420       6.173140  0.000000       0.000000  129.5567 55.82075 ?        ?        0.000000       55.82075 
1 1 1 -20 4  33 o 110.0884 50.38295 6.334721       5.863682  6.334721       5.863682  0.000000       0.000000  110.0884 50.38295 ?        ?        0.000000       50.38295 
1 1 1 -20 6  1  o 653.3247 19.37942 100.5893       5.955789  126.9025       10.51758  88.16885       7.225971  732.7542 30.51323 611.2520 25.13082 121.5023       39.52993 
1 1 1 -20 6  2  o 171.5319 41.33561 7.261333       3.296026  2.725327       5.317097  10.09215       4.200432  139.9673 55.06596 202.1222 45.29979 -62.15491      71.30450 
1 1 1 -20 6  3  o 211.2021 25.27441 10.67716       2.461132  10.95976       3.921136  10.49346       3.161419  211.3845 40.91270 208.0195 33.44088 3.364960       52.84071 
1 1 1 -20 6  4  o 313.9483 20.31910 23.33290       2.984675  36.53389       7.851232  21.10286       3.226943  389.6848 43.57677 298.1909 23.18763 91.49384       49.36194 
1 1 1 -20 6  5  o 82.48319 32.85455 0.8153591      1.914621  -1.099287      5.621667  1.066587       2.036363  120.1890 52.51076 87.28004 34.15622 32.90894       62.64205 
1 1 1 -20 6  6  o 506.9875 13.93857 60.52774       3.324181  60.29817       4.849052  60.73128       4.565916  505.6804 20.38504 507.5711 19.12325 -1.890747      27.95082 
1 1 1 -20 6  7  f 714.6879 12.81944 120.2645       4.309778  117.8334       5.482317  124.1974       6.972968  707.1804 16.48028 725.6821 20.42687 -18.50171      26.24608 
1 1 1 -20 6  8  o 417.7977 15.38142 41.12294       3.022954  40.16053       4.687604  41.80815       3.955289  411.6639 24.31478 421.0273 19.97095 -9.363373      31.46501 
1 1 1 -20 6  9  o 578.7290 14.53626 78.89928       3.957283  78.89928       3.957283  0.000000       0.000000  578.7290 14.53626 ?        ?        0.000000       14.53626 
1 1 1 -20 6  10 o 335.8219 15.02063 26.57348       2.372829  27.09697       2.483764  21.10286       8.029267  339.0905 15.57132 290.1511 60.77477 48.93939       62.73786 
1 1 1 -20 6  11 o 158.0208 22.46421 6.015975       1.622827  5.078887       1.892294  8.621408       3.155283  143.8849 28.96034 187.1247 37.15620 -43.23987      47.10928 
1 1 1 -20 6  12 o 480.1982 11.67519 54.30761       2.637265  55.40396       3.394967  52.63929       4.187948  484.8186 14.88631 472.2584 18.85178 12.56021       24.02065 
1 1 1 -20 6  13 o 197.7975 22.71835 9.373944       2.075451  11.93817       3.084962  7.253703       2.805204  222.1836 30.30738 171.2803 35.96192 50.90327       47.02974 
1 1 1 -20 6  14 o 138.3624 28.30317 4.710846       1.780034  4.352800       2.309163  5.235166       2.794364  132.7749 36.04576 145.4108 39.72580 -12.63589      53.64174 
1 1 1 -20 6  15 o 638.6721 13.97257 96.21440       4.197816  109.5125       7.670533  90.52880       5.015556  679.4869 23.99801 619.0541 17.22349 60.43280       29.53901 
1 1 1 -20 6  16 o 234.6021 17.52863 13.08614       1.920439  13.19985       2.717662  12.97272       2.714164  234.3266 25.04277 232.2355 25.25193 2.091125       35.56403 
1 1 1 -20 6  17 o 496.3468 12.47689 58.13560       2.913136  61.33367       4.303473  55.43067       3.957794  508.9155 17.97646 483.9124 17.38670 25.00308       25.00901 
1 1 1 -20 6  18 o 331.6679 19.77040 26.22248       3.070514  25.59314       3.415976  28.87040       7.006817  327.0482 22.33772 339.1509 45.03312 -12.10266      50.26883 
1 1 1 -20 6  19 o 689.1395 14.16988 112.3965       4.593489  106.7597       5.927884  120.8680       7.267149  670.0577 18.80694 711.6752 21.70765 -41.61755      28.72148 
1 1 1 -20 6  20 o 538.2929 13.41532 68.60865       3.396948  69.85993       5.028754  67.55848       4.606935  541.0770 19.75751 532.6007 18.38827 8.476257       26.99051 
1 1 1 -20 6  21 o 250.0670 19.53327 15.04384       2.279501  13.81651       3.392599  16.05393       3.077752  235.4577 31.41381 256.2760 25.88510 -20.81830      40.70462 
1 1 1 -20 6  22 o 459.4103 15.59961 50.28418       3.371193  47.32462       5.515782  52.04899       4.259335  439.5097 26.80715 465.7582 19.44070 -26.24854      33.11441 
1 1 1 -20 6  23 o 276.1351 22.59059 18.62179       2.908704  15.82937       7.345818  19.14103       3.167609  225.6677 65.40490 279.1510 24.36681 -53.48328      69.79643 
1 1 1 -20 6  24 o 194.2496 24.31014 9.382504       2.172703  10.77091       3.712078  8.658998       2.679662  199.3781 40.95002 182.8444 32.33818 16.53374       52.17914 
1 1 1 -20 6  25 o 103.6297 35.67954 2.675834       2.106512  -0.3883325     3.421259  4.546721       2.673337  89.76614 40.00874 129.2875 39.93412 -39.52137      56.52817 
1 1 1 -20 6  26 o 221.1845 39.69528 13.42462       3.978355  13.42462       3.978355  0.000000       0.000000  221.1845 39.69528 ?        ?        0.000000       39.69528 
1 1 1 -20 6  27 o 255.1477 23.12515 16.28016       2.745370  16.92249       4.116914  15.76579       3.684118  250.2047 36.01688 243.9178 32.95203 6.286865       48.81651 
1 1 1 -20 6  28 o 334.5241 20.08341 27.68927       3.145710  23.99739       4.678917  30.73450       4.249442  298.1461 33.96799 346.5533 26.26225 -48.40726      42.93636 
1 1 1 -20 6  29 o 418.8041 25.03046 45.03016       4.908587  0.000000       0.000000  45.03016       4.908587  ?        ?        418.8041 25.03046 0.000000       25.03046 
1 1 1 -20 6  30 o 98.34716 40.55257 2.266326       3.034913  1.234840       6.291781  2.579099       3.464623  108.9736 50.68743 102.9901 42.96866 5.983528       66.44939 
1 1 1 -20 6  31 o 70.86623 33.43364 -1.526830      2.906869  -3.659334      5.414634  -0.6633490     3.445485  85.46013 41.64770 80.56745 37.48623 4.892677       56.03346 
1 1 1 -20 6  32 o 96.53435 45.70806 1.239299       5.524236  1.239299       5.524236  0.000000       0.000000  96.53435 45.70806 ?        ?        0.000000       45.70806 
1 1 1 -20 6  33 o 94.86105 44.78942 2.579073       5.235767  2.579073       5.235767  0.000000       0.000000  94.86105 44.78942 ?        ?        0.000000       44.78942 
1 1 1 -20 8  1  f 189.2075 29.18649 8.655073       2.514148  0.000000       0.000000  8.655073       2.514148  ?        ?        189.2075 29.18649 0.000000       29.18649 
1 1 1 -20 8  2  o 724.2319 15.46988 123.5324       5.270282  76.78360       10.30339  140.0982       6.133388  567.6642 38.81796 771.1636 16.90770 -203.4994      42.34034 
1 1 1 -20 8  3  o 207.7576 27.70803 10.37540       2.640396  9.570092       6.129838  10.55886       2.925731  198.8700 60.29177 209.1311 30.65001 -10.26108      67.63520 
1 1 1 -20 8  4  o 451.8191 18.23475 48.11008       3.875553  48.18669       10.31876  48.09751       4.181701  446.6346 49.97038 451.6856 19.68101 -5.051025      53.70643 
1 1 1 -20 8  5  f 258.7009 20.59430 15.88228       2.485437  12.78428       4.660499  17.11356       2.938123  227.8279 45.08283 268.2596 23.52082 -40.43176      50.84969 
1 1 1 -20 8  6  f 680.5394 13.90158 109.0683       4.450273  108.9695       6.042451  109.1855       6.578998  679.8646 18.89389 680.3914 20.55567 -0.5268555     27.91979 
1 1 1 -20 8  7  o 406.4499 16.22746 38.92701       3.102607  31.45066       4.491714  45.74911       4.290684  363.8435 26.42420 440.3746 20.71261 -76.53110      33.57456 
1 1 1 -20 8  8  o 1094.969 17.00628 282.6046       8.759524  290.3287       9.795854  251.7836       19.56767  1109.572 18.76798 1028.393 40.44926 81.17847       44.59126 
1 1 1 -20 8  9  o 478.4343 21.86375 54.04441       4.920580  0.000000       0.000000  54.04441       4.920580  ?        ?        478.4343 21.86375 0.000000       21.86375 
1 1 1 -20 8  10 o 735.3279 13.82014 127.3877       4.780384  126.7087       5.108923  132.1641       13.54924  733.2743 14.81132 743.7305 38.86338 -10.45624      41.59011 
1 1 1 -20 8  11 o 183.7912 20.95480 8.080838       1.779275  7.322171       2.023150  10.67090       3.738157  174.0978 25.45602 208.1048 39.63362 -34.00700      47.10449 
1 1 1 -20 8  12 o 658.1670 12.02176 102.0442       3.721975  102.8188       4.608589  100.5915       6.311564  660.3912 14.83533 652.4874 20.56343 7.903870       25.35630 
1 1 1 -20 8  13 o 806.0999 22.43403 153.7753       8.506784  153.7753       8.506784  0.000000       0.000000  806.0999 22.43403 ?        ?        0.000000       22.43403 
1 1 1 -20 8  14 o 271.6060 18.61323 17.51660       2.363757  13.37991       3.336488  21.68504       3.349263  234.9818 30.93670 301.5148 23.80778 -66.53297      39.03703 
1 1 1 -20 8  15 o 829.7775 14.82486 162.5383       5.786575  170.0060       9.727043  158.4479       7.198997  845.9677 24.44318 818.3848 18.70015 27.58289       30.77604 
1 1 1 -20 8  16 o 282.7729 16.04181 18.96365       2.125045  25.02957       3.000486  12.85891       3.010073  324.3625 19.75910 230.3171 28.38373 94.04541       34.58408 
1 1 1 -20 8  17 o 155.9186 25.52454 5.951121       1.807287  7.564545       2.747448  4.720462       2.399518  173.9515 34.79160 137.0782 36.54549 36.87326       50.45818 
1 1 1 -20 8  18 o 416.7697 13.96332 41.08309       2.737499  49.99101       4.275384  34.89346       3.563847  458.4398 19.82547 382.5012 19.87540 75.93854       28.07278 
1 1 1 -20 8  19 o 451.9704 17.82255 48.56927       3.789215  52.51012       4.322671  35.49346       7.873921  469.4276 19.57556 373.0996 45.82739 96.32803       49.83324 
1 1 1 -20 8  20 o 86.54346 32.69835 1.396326       1.821018  6.221130       2.949554  -1.575489      2.314875  154.7712 40.16520 68.14760 31.36016 86.62361       50.95785 
1 1 1 -20 8  21 o 510.4531 13.88852 61.85691       3.334888  56.25548       4.764184  67.23840       4.669721  483.9566 20.92728 530.1932 18.72352 -46.23666      28.08062 
1 1 1 -20 8  22 o 138.6300 36.27299 5.033974       2.392726  -1.974435      5.317124  6.813576       2.679345  105.1976 48.08198 161.4736 36.17215 -56.27593      60.16894 
1 1 1 -20 8  23 f 192.9660 25.53124 9.273597       2.260603  5.990948       3.814520  11.05061       2.806550  147.8540 47.96893 209.1680 29.33019 -61.31403      56.22525 
1 1 1 -20 8  24 o 217.4746 22.68056 11.66797       2.286095  12.87113       3.812771  10.99264       2.856519  219.8048 38.26535 207.4268 30.15882 12.37804       48.72157 
1 1 1 -20 8  25 o 215.9178 25.63601 11.70782       2.552928  9.213748       3.876645  13.61772       3.392391  179.3741 45.78798 228.9999 32.39616 -49.62589      56.08966 
1 1 1 -20 8  26 o 444.7604 16.65226 47.75254       3.483924  40.55640       5.097642  54.05983       4.772445  400.6518 27.20913 469.1013 21.62743 -68.44952      34.75748 
1 1 1 -20 8  27 o 177.8376 29.69158 8.301715       2.396279  6.750318       3.761097  9.361767       3.108971  149.2518 47.54964 183.9530 37.20687 -34.70125      60.37648 
1 1 1 -20 8  28 o 81.12363 35.69605 0.1553319      2.638955  -10.08026      6.058450  2.552095       2.931687  81.96518 40.71316 103.8361 40.87684 -21.87089      57.69296 
1 1 1 -20 8  29 o 281.5562 26.04900 20.63226       3.410952  25.59453       7.117154  19.15263       3.886353  268.6860 58.00976 265.2064 31.78550 3.479645       66.14719 
1 1 1 -20 8  30 o 109.0201 41.97937 3.534526       3.037930  6.822237       6.587707  2.646514       3.423708  131.1448 57.08138 102.5575 42.74491 28.58722       71.31207 
1 1 1 -20 8  31 o 86.12559 39.46439 0.3138967      3.612790  -2.520214      5.689377  2.228894       4.676710  89.28979 43.32585 101.2482 45.81003 -11.95843      63.05305 
1 1 1 -20 8  32 o 242.9737 38.92827 19.27143       4.299102  10.96611       6.198923  26.96790       5.967381  136.1756 57.19062 266.6747 49.38882 -130.4990      75.56469 
1 1 1 -20 10 1  o 601.7584 16.80440 85.31423       4.756795  0.000000       0.000000  85.31423       4.756795  ?        ?        601.7584 16.80440 0.000000       16.80440 
1 1 1 -20 10 2  o 652.7814 14.73016 100.3586       4.523187  79.66707       10.29116  105.3129       5.035655  578.2050 38.04926 668.6188 16.01062 -90.41382      41.28057 
1 1 1 -20 10 3  o 176.2017 28.72649 7.527905       2.298966  6.806288       5.447108  7.684305       2.535891  172.5860 57.38743 177.5929 31.50930 -5.006927      65.46872 
1 1 1 -20 10 4  o 687.0326 18.38733 111.2653       5.942446  98.95959       12.87593  114.5957       6.698491  643.4125 42.78610 697.0577 20.42862 -53.64514      47.41285 
1 1 1 -20 10 5  o 1341.558 18.17806 424.2734       11.47167  408.4468       14.42109  451.5458       18.93071  1315.337 23.30727 1381.548 29.12941 -66.21057      37.30619 
1 1 1 -20 10 6  o 744.9196 14.09933 130.7026       4.940573  124.8686       6.383549  139.4174       7.802030  727.7120 18.64805 768.6101 21.57904 -40.89807      28.52025 
1 1 1 -20 10 7  o 927.1287 14.25414 202.4883       6.216565  207.8700       7.940300  193.9655       9.992370  938.9342 17.97763 906.1987 23.44098 32.73553       29.54107 
1 1 1 -20 10 8  o 900.9898 12.25429 191.1696       5.193706  190.7917       6.019206  192.2711       10.27540  899.9050 14.21914 901.9549 24.21835 -2.049927      28.08402 
1 1 1 -20 10 9  o 1602.138 20.48904 606.0049       15.44155  632.2413       18.13607  536.8609       29.44205  1635.456 23.57409 1499.108 41.75092 136.3488       47.94660 
1 1 1 -20 10 10 o 245.1479 16.12234 14.23214       1.848826  15.02181       2.065249  11.04568       4.148612  251.7316 17.55057 211.0734 43.23708 40.65820       46.66335 
1 1 1 -20 10 11 o 333.8127 13.96653 26.26488       2.193110  27.37256       2.489173  22.42168       4.636550  340.6927 15.53184 305.2603 32.80369 35.43246       36.29491 
1 1 1 -20 10 12 o 138.7450 26.39190 4.715640       1.659550  4.398561       1.802265  6.483197       4.255214  133.4710 29.49117 163.2734 50.37415 -29.80244      58.37194 
1 1 1 -20 10 13 o 394.0099 13.62022 36.61046       2.524413  38.83731       2.973410  30.86165       4.777471  405.6501 15.58239 359.0583 28.52040 46.59180       32.49960 
1 1 1 -20 10 14 o 500.3376 22.44602 59.37786       5.282893  0.000000       0.000000  59.37786       5.282893  ?        ?        500.3376 22.44602 0.000000       22.44602 
1 1 1 -20 10 15 o 501.7636 13.80401 59.43972       3.258171  64.14091       4.015992  50.38645       5.573034  520.8265 16.39194 459.0957 25.91180 61.73087       30.66133 
1 1 1 -20 10 16 o 217.4706 19.64996 11.31299       1.988451  11.72778       2.570794  10.69529       3.137228  220.2829 25.26645 208.2090 33.14245 12.07387       41.67512 
1 1 1 -20 10 17 o 144.9167 29.24287 5.227706       1.924725  4.243268       2.707448  6.233558       2.736733  130.9240 40.14651 156.7517 37.59861 -25.82770      55.00361 
1 1 1 -20 10 18 o 330.7883 15.97472 25.95066       2.485723  26.71821       3.418185  25.08918       3.621288  333.7535 21.89344 322.7322 24.02556 11.02127       32.50462 
1 1 1 -20 10 19 o 276.5902 23.86207 18.51414       3.074272  20.69801       3.434524  9.711654       6.895337  292.0802 25.24559 189.6895 64.57156 102.3906       69.33128 
1 1 1 -20 10 20 o 496.4679 13.60786 58.45923       3.177973  57.17609       4.680736  59.55655       4.328560  488.4718 20.37067 499.3755 18.42668 -10.90366      27.46829 
1 1 1 -20 10 21 o 311.4390 16.45320 23.20314       2.401866  26.78244       3.904772  21.02460       3.046349  331.0059 25.26878 294.3926 22.16056 36.61325       33.60955 
1 1 1 -20 10 22 o 294.4489 17.48957 20.84539       2.411594  24.37320       4.052059  18.91044       3.000940  313.4915 27.76495 278.1263 23.14773 35.36517       36.14845 
1 1 1 -20 10 23 o 379.0321 17.33076 34.50254       3.090031  31.00476       5.628985  36.01121       3.696850  347.2044 34.93933 385.1664 20.47751 -37.96198      40.49796 
1 1 1 -20 10 24 o 397.2310 15.63531 37.82212       2.921588  37.40252       4.633327  38.09908       3.764249  388.3157 25.50708 395.6865 20.29182 -7.370850      32.59401 
1 1 1 -20 10 25 o 141.4559 32.59093 5.313559       2.124019  7.116968       3.647157  4.387992       2.612830  157.0457 46.25014 126.9418 39.52426 30.10398       60.83784 
1 1 1 -20 10 26 f 239.6247 21.67052 14.22778       2.416270  10.52029       3.782266  16.78420       3.140714  192.0587 42.94239 257.4357 26.30476 -65.37703      50.35860 
1 1 1 -20 10 27 o 80.27895 37.16895 -1.535773      3.324529  -1.755586      3.864032  -0.9093342     6.523087  85.52473 39.76110 110.9936 51.62156 -25.46886      65.15927 
1 1 1 -20 10 28 o 66.03337 31.06995 -1.870216      2.479501  -11.48336      5.886207  0.2035331      2.733890  77.43172 38.72190 82.24931 36.25611 -4.817581      53.04612 
1 1 1 -20 10 29 o 190.3993 65.69276 16.16825       7.142844  16.16825       7.142844  0.000000       0.000000  190.3993 65.69276 ?        ?        0.000000       65.69276 
1 1 1 -20 10 30 o 193.1188 40.69408 11.65615       3.580162  0.000000       0.000000  11.65615       3.580162  ?        ?        193.1188 40.69408 0.000000       40.69408 
1 1 1 -20 10 31 o 302.8456 33.00047 26.95133       4.625122  11.64982       6.353343  44.20333       6.746135  146.3008 59.29771 374.2751 38.88491 -227.9743      70.91019 
1 1 1 -20 12 1  o 351.3046 15.74517 29.07643       2.601960  31.92075       5.164401  28.10880       3.012207  366.0270 30.26574 344.7924 18.64122 21.23456       35.54588 
1 1 1 -20 12 2  o 732.2454 14.78857 126.3035       5.093919  113.4958       12.37689  128.9153       5.589241  690.1058 38.27651 739.6764 16.06356 -49.57056      41.51059 
1 1 1 -20 12 3  o 956.3995 17.49043 215.6124       7.868812  0.000000       0.000000  215.6124       7.868812  ?        ?        956.3995 17.49043 0.000000       17.49043 
1 1 1 -20 12 4  o 584.0483 17.93623 80.42352       4.927755  105.2319       13.06364  76.30798       5.320819  663.2158 42.09166 568.7513 19.88781 94.46448       46.55354 
1 1 1 -20 12 5  o 408.5632 16.36694 39.34339       3.145546  38.09950       5.112566  40.10107       3.990160  400.3888 27.30784 412.2270 20.57712 -11.83820      34.19263 
1 1 1 -20 12 6  o 844.3129 14.57438 167.9637       5.788456  158.7517       7.262581  184.0072       9.584384  820.3489 18.82015 882.5390 23.08666 -62.19012      29.78576 
1 1 1 -20 12 7  o 650.7092 12.50337 99.72845       3.827220  99.96843       4.611557  99.19740       6.860253  651.2877 15.05239 647.9633 22.50714 3.324402       27.07667 
1 1 1 -20 12 8  o 1373.180 15.04860 444.4705       9.720592  442.3799       11.17904  450.9513       19.68259  1369.454 17.35353 1378.547 30.35228 -9.093018      34.96292 
1 1 1 -20 12 9  o 807.5174 13.38506 153.6624       5.084422  153.6624       5.084422  0.000000       0.000000  807.5174 13.38506 ?        ?        0.000000       13.38506 
1 1 1 -20 12 10 o 665.4402 12.06744 104.3286       3.777405  101.4839       4.410313  112.1614       7.318314  656.0789 14.29039 688.4888 22.59669 -32.40997      26.73623 
1 1 1 -20 12 11 o 1187.246 14.61019 332.4710       8.159545  328.0328       10.16893  340.4943       13.67245  1178.333 18.34586 1198.509 24.25134 -20.17615      30.40885 
1 1 1 -20 12 12 o 82.44524 30.50007 1.271412       1.567542  1.079970       1.663705  2.785307       4.678485  81.27073 31.12181 132.5891 51.80383 -51.31837      60.43347 
1 1 1 -20 12 13 o 270.5454 16.42109 17.36017       2.079947  17.14533       2.294106  18.35237       4.930095  268.5927 18.26577 273.0082 39.54048 -4.415527      43.55557 
1 1 1 -20 12 14 o 445.3029 26.62023 47.47702       5.550636  0.000000       0.000000  47.47702       5.550636  ?        ?        445.3029 26.62023 0.000000       26.62023 
1 1 1 -20 12 15 o 344.4680 15.63859 28.07157       2.534054  27.22603       3.007250  30.14226       4.706076  338.2589 18.97615 353.4801 28.54604 -15.22119      34.27785 
1 1 1 -20 12 16 o 114.1863 33.08599 3.230461       1.879998  4.586721       2.355438  0.8499823      3.120558  134.8853 36.31600 99.11472 41.01697 35.77061       54.78361 
1 1 1 -20 12 17 o 288.4269 18.41287 19.85794       2.485161  26.66752       3.241537  10.14863       3.870657  333.7946 20.74708 198.5907 42.70314 135.2039       47.47630 
1 1 1 -20 12 18 o 474.2503 13.94117 53.28602       3.110113  52.81017       4.235018  53.84310       4.582197  470.6247 19.12984 474.7207 20.51948 -4.095978      28.05351 
1 1 1 -20 12 19 o 301.7573 16.81542 21.74627       2.377418  25.00347       3.498349  18.95108       3.240759  321.4733 23.29184 279.0617 24.95068 42.41156       34.13277 
1 1 1 -20 12 20 o 291.2347 23.62006 20.63576       3.208012  22.32452       3.576457  13.68312       7.256791  302.2206 25.39240 214.7283 65.70681 87.49222       70.44259 
1 1 1 -20 12 21 o 173.4606 29.39182 7.604540       2.312625  2.388228       5.732880  8.618363       2.527390  130.3833 54.89087 184.5923 30.14730 -54.20901      62.62481 
1 1 1 -20 12 22 o 239.3708 24.52939 14.13490       2.723017  17.05410       6.154970  13.42450       3.036326  242.7322 55.15774 231.3726 28.50013 11.35963       62.08569 
1 1 1 -20 12 23 o 187.0413 24.28110 8.702138       2.085965  7.914960       3.500360  9.135637       2.597594  169.0122 43.70345 189.0366 30.23026 -20.02435      53.14000 
1 1 1 -20 12 24 o 266.6209 20.65775 17.38609       2.570652  9.223657       3.697366  25.02378       3.576544  181.4180 43.81832 318.0507 24.08414 -136.6327      50.00091 
1 1 1 -20 12 25 o 193.8733 25.04062 9.468356       2.230293  5.733666       3.728060  11.55001       2.783298  141.4438 47.48262 212.3921 28.58393 -70.94829      55.42238 
1 1 1 -20 12 26 o 106.4796 35.02677 2.996857       2.031241  3.919329       3.628354  2.575786       2.451380  121.8710 46.12908 102.9372 38.12939 18.93380       59.84766 
1 1 1 -20 12 27 o 453.8520 18.75465 50.50500       4.003986  44.32224       8.047289  52.53922       4.615912  388.7010 44.83342 460.1650 21.32429 -71.46405      49.64636 
1 1 1 -20 12 28 o 138.1481 49.99837 6.315485       4.177631  7.048158       5.770149  5.508324       6.056363  140.8627 56.71445 131.8042 56.00105 9.058472       79.70349 
1 1 1 -20 12 29 o 146.0706 41.55813 6.744611       2.991745  -2.712842      6.239680  9.567848       3.409172  96.31464 46.39565 174.8777 41.97548 -78.56304      62.56594 
1 1 1 -20 12 30 o 102.0251 41.88155 2.972510       3.219192  -1.477111      5.542482  5.237813       3.954631  92.37751 44.30216 120.5032 47.46375 -28.12572      64.92680 
1 1 1 -20 12 31 o 246.2466 38.07870 19.30335       4.268516  12.05707       6.323630  25.36861       5.785400  144.5225 58.94008 262.4788 48.64792 -117.9563      76.42352 
1 1 1 -20 14 1  o 1273.809 20.28369 382.9197       12.15404  0.000000       0.000000  382.9197       12.15404  ?        ?        1273.809 20.28369 0.000000       20.28369 
1 1 1 -20 14 2  o 563.1676 13.37975 74.70782       3.544501  79.55139       6.816401  72.91277       4.149650  580.0572 24.98130 556.1917 15.86053 23.86548       29.59090 
1 1 1 -20 14 3  o 270.7838 18.35301 17.37519       2.323952  19.72057       5.864249  16.93822       2.531194  283.6662 45.48459 267.1169 20.29622 16.54932       49.80747 
1 1 1 -20 14 4  o 150.0379 34.81564 5.564631       2.409774  -0.7640386     4.962113  7.517837       2.756668  113.6879 49.51133 174.8341 34.74306 -61.14615      60.48513 
1 1 1 -20 14 5  o 269.2502 21.57677 17.23566       2.709866  16.92703       4.290066  17.44055       3.495497  264.4290 35.37606 269.8886 27.93762 -5.459625      45.07745 
1 1 1 -20 14 6  o 183.2184 27.29682 8.126060       2.280787  7.428375       3.203087  8.843639       3.248431  172.9147 40.14980 189.2899 37.80512 -16.37515      55.14737 
1 1 1 -20 14 7  o 737.9349 12.66390 128.3060       4.395971  127.8806       5.245082  129.3103       8.058654  736.4297 15.14090 739.2780 23.17317 -2.848206      27.68109 
1 1 1 -20 14 8  o 840.6028 14.09201 166.5971       5.572283  166.5971       5.572283  0.000000       0.000000  840.6028 14.09201 ?        ?        0.000000       14.09201 
1 1 1 -20 14 9  o 1137.111 13.70377 304.8899       7.330138  307.7413       8.432878  296.0761       14.82627  1141.965 15.69834 1115.987 28.24253 25.97827       32.31220 
1 1 1 -20 14 10 o 496.8086 11.39878 58.16585       2.663892  58.60842       2.942262  56.15339       6.274136  498.5920 12.54489 485.0751 27.61058 13.51691       30.32686 
1 1 1 -20 14 11 o 521.5953 12.36318 64.15548       3.033425  65.50869       3.471280  59.78354       6.239415  526.8740 14.00598 500.4800 26.59804 26.39401       30.06033 
1 1 1 -20 14 12 o 335.4297 13.86325 26.56120       2.187439  26.53424       2.387899  26.70185       5.454142  335.1397 15.14680 331.1652 35.56893 3.974518       38.65972 
1 1 1 -20 14 13 o 504.1320 16.90815 60.15162       4.009678  63.31749       5.010140  54.51116       6.687444  516.4429 20.62331 475.8375 30.03073 40.60541       36.43028 
1 1 1 -20 14 14 o 343.9584 19.96089 28.19473       3.215759  35.07729       4.020776  15.97726       5.357047  383.1551 22.40586 250.2265 47.24345 132.9286       52.28734 
1 1 1 -20 14 15 o 310.1310 21.71244 23.03428       3.147567  25.22890       3.910297  18.99538       5.304720  323.4417 25.91840 274.4901 42.45360 48.95157       49.74004 
1 1 1 -20 14 16 o 107.9503 34.98077 2.789614       2.028975  3.567095       2.315421  0.2176153      4.211341  120.2026 37.17094 107.4710 46.20401 12.73159       59.29999 
1 1 1 -20 14 17 o 112.4291 35.15907 3.110368       2.065020  2.503405       2.479026  4.486187       3.732335  107.2557 38.55614 136.7893 47.47015 -29.53365      61.15546 
1 1 1 -20 14 18 o 604.8024 13.56505 86.71845       3.859262  95.87270       5.396629  77.13692       5.521140  633.9743 18.09596 567.4496 20.68389 66.52472       27.48248 
1 1 1 -20 14 19 o 276.6945 18.91978 18.40591       2.447784  18.96985       3.382952  17.78623       3.546192  278.2317 26.15456 268.3239 28.53309 9.907745       38.70657 
1 1 1 -20 14 20 o 188.0021 37.44109 9.213149       3.194818  9.654204       3.648044  7.761594       6.618049  190.4436 41.86271 169.1985 62.65448 21.24512       75.35297 
1 1 1 -20 14 21 o 189.9712 25.11367 8.951582       2.189213  8.893534       3.376072  8.993701       2.875784  182.5086 40.39249 186.6375 34.00882 -4.128937      52.80297 
1 1 1 -20 14 22 o 358.7104 16.32695 30.81158       2.754979  29.15164       4.138931  32.13209       3.691589  343.5435 25.80004 363.2677 21.70239 -19.72415      33.71403 
1 1 1 -20 14 23 o 151.3302 46.15236 6.422084       3.584103  8.709870       4.154177  -0.2398633     7.088883  174.1452 48.77091 123.9629 56.21493 50.18228       74.42258 
1 1 1 -20 14 24 o 321.6920 19.31318 25.19078       2.909026  25.01784       5.518338  25.25733       3.423317  305.1940 39.35512 319.9503 22.89684 -14.75629      45.53120 
1 1 1 -20 14 25 o 255.7326 21.13269 16.14109       2.519426  16.50172       4.318525  15.95502       3.102033  246.0205 38.58511 250.8132 26.70283 -4.792694      46.92389 
1 1 1 -20 14 26 o 241.8264 22.46756 14.63367       2.526596  12.08258       3.986845  16.34589       3.266227  204.3113 42.85105 251.6069 28.07525 -47.29553      51.22921 
1 1 1 -20 14 27 o 181.7905 32.85584 9.034122       2.706245  0.6263378      5.786538  11.38795       3.061716  109.6638 50.13739 204.4541 32.95491 -94.79028      59.99820 
1 1 1 -20 14 28 o 111.3379 46.71923 3.167423       4.130974  2.202735       5.833315  4.137931       5.850883  112.8985 51.11430 121.8599 53.39690 -8.961479      73.91820 
1 1 1 -20 14 29 o 147.2811 45.42279 7.428767       3.460196  4.036861       5.813591  9.289537       4.305951  116.2660 51.96207 157.6465 50.94653 -41.38049      72.77092 
1 1 1 -20 14 30 o 99.88046 42.22012 2.846200       3.413877  6.206897       5.735003  1.001784       4.248624  120.4721 52.82519 92.72099 42.60053 27.75106       67.86240 
1 1 1 -20 16 1  o 349.7869 15.41644 28.85039       2.536629  32.70189       5.355283  27.73630       2.880231  369.7015 31.08214 342.3473 17.94760 27.35422       35.89172 
1 1 1 -20 16 2  o 315.1400 16.13036 23.48641       2.383192  28.49712       5.105198  22.09023       2.694840  344.7435 31.84066 305.2911 18.85737 39.45245       37.00578 
1 1 1 -20 16 3  o 315.4627 17.45689 23.55925       2.580426  23.87931       6.113280  23.48987       2.846429  312.6891 42.67599 314.7668 19.31731 -2.077667      46.84440 
1 1 1 -20 16 4  o 712.4203 14.01263 119.6559       4.695971  114.2394       5.918041  128.8645       7.716412  695.5645 18.08720 738.0116 22.22711 -42.44708      28.65643 
1 1 1 -20 16 5  o 635.1125 13.42447 95.08968       4.010671  96.09476       5.082269  93.43045       6.529901  638.0299 16.93352 628.3229 22.09298 9.706970       27.83602 
1 1 1 -20 16 6  o 498.9278 13.83208 58.70067       3.246342  57.40562       3.967087  61.32581       5.648128  493.0551 17.10436 508.7017 23.60326 -15.64667      29.14915 
1 1 1 -20 16 7  f 63.27951 28.60707 -0.9805992     1.819355  -0.2650151     2.134337  -2.882581      3.479652  75.36922 32.64709 81.78886 37.92379 -6.419632      50.04044 
1 1 1 -20 16 8  o 387.1543 15.24395 35.38476       2.776201  35.38476       2.776201  0.000000       0.000000  387.1543 15.24395 ?        ?        0.000000       15.24395 
1 1 1 -20 16 9  o 812.8110 12.20027 155.7948       4.664751  156.7891       5.280112  152.2592       9.956510  815.1094 13.77076 799.6785 26.46808 15.43091       29.83610 
1 1 1 -20 16 10 o 161.3428 22.30190 6.295218       1.647369  7.250652       1.758944  -0.5270512     4.700199  173.4056 22.06318 110.4587 48.14364 62.94688       52.95842 
1 1 1 -20 16 11 o 228.3846 16.47758 12.40258       1.758341  13.38306       1.859508  4.120095       5.404534  237.2393 16.77063 147.1403 56.15297 90.09892       58.60384 
1 1 1 -20 16 12 o 207.0085 17.17356 10.21861       1.657213  10.25890       1.736955  9.809752       5.532954  207.2813 17.99239 194.3252 56.89111 12.95605       59.66845 
1 1 1 -20 16 13 o 125.1676 28.87943 3.912899       1.665795  4.620275       1.779819  -1.083195      4.730049  136.2119 28.68391 106.8415 47.36242 29.37040       55.37116 
1 1 1 -20 16 14 o 243.5291 18.37477 14.16898       2.089450  14.27595       2.258378  13.53313       5.506072  244.1395 19.83631 226.5266 52.66933 17.61282       56.28088 
1 1 1 -20 16 15 o 136.1822 38.35122 4.715395       2.561337  4.447087       2.927674  5.590767       5.288129  133.4767 41.88361 154.7258 56.21349 -21.24910      70.10131 
1 1 1 -20 16 16 o 350.5334 18.61691 29.36641       3.058767  33.46902       3.296008  3.906065       8.210889  374.7004 18.69970 159.0556 66.23612 215.6449       68.82516 
1 1 1 -20 16 17 o 454.2287 41.36066 52.46730       8.740708  0.000000       0.000000  52.46730       8.740708  ?        ?        454.2287 41.36066 0.000000       41.36066 
1 1 1 -20 16 18 o 405.0242 16.83023 39.11478       3.206566  42.62660       4.009579  32.88339       5.341033  421.5479 20.22006 364.0720 31.49690 57.47586       37.42868 
1 1 1 -20 16 19 f 292.7538 18.95287 20.62699       2.596031  19.82136       3.288989  21.95837       4.228097  284.6611 24.81011 296.7740 30.73190 -12.11292      39.49673 
1 1 1 -20 16 20 o 439.4196 15.95134 46.09126       3.297206  55.32322       4.708671  37.20934       4.618542  478.9069 20.90152 389.7654 25.32763 89.14151       32.83843 
1 1 1 -20 16 21 o 117.5454 37.87527 3.538118       2.381188  7.500315       3.329131  -0.6121953     3.407244  166.1574 42.44095 89.67266 39.94987 76.48473       58.28573 
1 1 1 -20 16 22 o 402.4990 16.66866 38.86016       3.155985  30.88558       4.223029  48.94798       4.749726  353.4175 25.57474 447.5648 22.63375 -94.14728      34.15192 
1 1 1 -20 16 23 o 89.58321 34.26160 1.612983       2.014736  5.971199       3.519229  -0.5118177     2.457267  145.6883 45.95095 76.05019 33.90039 69.63809       57.10277 
1 1 1 -20 16 24 o 234.8690 23.19198 13.72519       2.528853  12.24035       4.083103  14.64920       3.220984  208.5920 43.04042 239.0032 29.26053 -30.41122      52.04475 
1 1 1 -20 16 25 o 139.9410 36.95259 5.456639       2.468510  0.8406659      4.928161  7.002687       2.852100  108.5601 48.22353 157.7524 38.72145 -49.19231      61.84545 
1 1 1 -20 16 26 o 253.4222 58.10228 21.74198       6.778557  21.74198       6.778557  0.000000       0.000000  253.4222 58.10228 ?        ?        0.000000       58.10228 
1 1 1 -20 16 27 o 316.8773 23.18456 25.56139       3.431893  9.836505       6.395267  31.92114       4.067103  156.3412 60.71004 352.4959 24.68375 -196.1547      65.53622 
1 1 1 -20 16 28 o 185.3484 34.63635 9.888811       2.908843  6.085018       5.275636  11.55033       3.486738  129.1842 53.38565 195.6868 39.24382 -66.50261      66.25787 
1 1 1 -20 16 29 o 124.1761 44.93161 5.449785       3.373551  2.453627       5.529261  7.226517       4.257901  105.8521 48.62070 135.3918 50.23187 -29.53963      69.90861 
1 1 1 -20 18 1  o 533.9018 13.66162 67.22540       3.431095  70.04704       6.382101  66.07835       4.069172  543.2806 24.97297 529.0190 16.35180 14.26166       29.85013 
1 1 1 -20 18 2  o 240.4381 20.92076 13.78680       2.342609  11.25149       5.474667  14.35505       2.591880  210.2271 54.80037 245.0834 22.74094 -34.85622      59.33153 
1 1 1 -20 18 3  o 400.3107 15.25594 37.82515       2.872801  38.08568       4.863450  37.68553       3.560307  399.5130 26.02080 399.1849 18.96025 0.3281555      32.19585 
1 1 1 -20 18 4  o 775.3367 15.09770 141.9059       5.506435  142.9526       7.292022  140.5173       8.399418  777.1390 19.94711 769.6330 23.20044 7.505981       30.59653 
1 1 1 -20 18 5  o 619.0999 13.42743 90.42229       3.910416  87.03214       4.655609  98.54341       7.205688  606.9480 16.30631 644.2280 23.77752 -37.28003      28.83169 
1 1 1 -20 18 6  o 366.3283 15.48256 31.69808       2.667981  30.85113       3.166824  33.76933       4.952351  360.5679 18.73556 375.2325 28.26459 -14.66464      33.91029 
1 1 1 -20 18 7  o 158.1216 31.14877 6.188457       2.234448  6.188457       2.234448  0.000000       0.000000  158.1216 31.14877 ?        ?        0.000000       31.14877 
1 1 1 -20 18 8  o 211.2073 20.54426 10.68017       2.015287  11.39531       2.232918  7.538645       4.680013  217.9388 22.08554 173.0938 52.72701 44.84500       57.16563 
1 1 1 -20 18 9  o 762.7308 14.96860 137.5139       5.370588  137.9595       6.392527  136.4447       9.901949  763.1782 17.80645 755.1408 27.87555 8.037415       33.07742 
1 1 1 -20 18 10 o 282.7600 15.14670 18.96324       2.007357  19.28264       2.149972  16.79251       5.604879  284.9838 16.10367 256.4680 48.22866 28.51581       50.84616 
1 1 1 -20 18 11 o 145.6744 25.84371 5.223781       1.706102  5.186723       1.812721  5.511297       5.049154  144.7453 27.63093 154.6570 55.08553 -9.911652      61.62697 
1 1 1 -20 18 12 o 591.0753 14.56497 82.68613       4.049688  87.56606       4.651029  67.39001       8.234416  607.8000 16.26743 525.7045 33.47247 82.09558       37.21606 
1 1 1 -20 18 13 o 537.3385 12.02285 68.23042       3.038959  67.50544       3.251175  73.24614       8.551558  534.2784 12.93610 547.2865 33.37659 -13.00806      35.79580 
1 1 1 -20 18 14 o 101.1153 32.52056 2.452986       1.756110  2.908308       1.868237  -1.002311      5.146534  108.6879 33.35257 110.7181 49.22660 -2.030205      59.46135 
1 1 1 -20 18 15 o 178.8309 38.08657 8.219366       3.105757  9.845423       3.264046  -7.336505      10.09568  196.6827 36.62714 131.9248 62.26055 64.75787       72.23519 
1 1 1 -20 18 16 o 109.3175 36.03406 2.887728       2.149343  4.029845       2.394696  -1.844733      4.874597  125.8651 37.57808 102.7071 46.59114 23.15800       59.85688 
1 1 1 -20 18 17 o 83.57054 34.25660 0.7535216      2.149864  1.554047       2.361514  -3.121460      5.195626  94.68449 36.85710 100.3327 46.45805 -5.648239      59.30258 
1 1 1 -20 18 18 o 202.9948 26.27117 10.18288       2.449763  9.616762       2.759063  12.29167       5.325076  195.3617 31.06279 209.7096 53.73641 -14.34784      62.06850 
1 1 1 -20 18 19 o 488.6798 27.32013 58.68015       6.255093  58.68015       6.255093  0.000000       0.000000  488.6798 27.32013 ?        ?        0.000000       27.32013 
1 1 1 -20 18 20 o 370.3582 18.03121 32.91005       3.141349  31.18301       3.812460  36.56194       5.543867  357.7693 22.77183 381.9547 31.12613 -24.18539      38.56672 
1 1 1 -20 18 21 o 148.4304 41.36752 5.986983       2.996311  6.585240       3.383217  3.810940       6.452375  154.5679 44.26830 140.2615 58.58883 14.30646       73.43250 
1 1 1 -20 18 22 o 326.2506 20.28471 25.92486       3.097659  24.36165       4.038143  28.15993       4.828568  311.5609 27.84650 332.4953 31.23815 -20.93445      41.84793 
1 1 1 -20 18 23 o 139.6786 38.43660 5.368174       2.604904  0.1597483      3.592933  11.13957       3.782127  94.65276 41.65018 200.3416 41.49752 -105.6888      58.79440 
1 1 1 -20 18 24 o 355.0801 28.34420 32.23337       4.694892  32.23337       4.694892  0.000000       0.000000  355.0801 28.34420 ?        ?        0.000000       28.34420 
1 1 1 -20 18 25 o 102.8016 40.19922 2.453195       2.818994  0.000000       0.000000  2.453195       2.818994  ?        ?        102.8016 40.19922 0.000000       40.19922 
1 1 1 -20 18 26 o 231.5836 28.78596 14.19678       3.068213  6.771701       5.740297  17.16653       3.630310  139.8506 56.47583 252.4914 31.23129 -112.6408      64.53613 
1 1 1 -20 18 27 o 119.8998 40.22004 4.399000       2.674824  9.087397       5.619977  3.025905       3.041394  150.1951 57.27499 105.4472 41.59528 44.74790       70.78553 
1 1 1 -20 20 1  o 164.4467 29.60595 6.653064       2.205976  -0.8279939     4.314378  9.301198       2.566887  104.1245 45.73339 195.3593 28.79564 -91.23482      54.04379 
1 1 1 -20 20 2  o 401.5794 16.11219 38.11846       3.043654  37.57432       6.714301  38.25919       3.414643  393.0656 36.73942 402.0660 18.05422 -9.000427      40.93580 
1 1 1 -20 20 3  o 349.3879 18.56023 28.98662       3.039485  26.89953       6.006177  29.70512       3.524046  331.0555 39.33806 353.1753 21.31185 -22.11984      44.74011 
1 1 1 -20 20 4  o 385.7224 29.95054 35.83915       5.391752  35.83915       5.391752  0.000000       0.000000  385.7224 29.95054 ?        ?        0.000000       29.95054 
1 1 1 -20 20 5  o 137.1466 35.49316 4.711508       2.307454  4.093191       2.730183  6.257432       4.316983  129.7371 40.40334 159.4547 50.95755 -29.71758      65.03155 
1 1 1 -20 20 6  o 453.4974 14.81369 48.61216       3.160147  51.02768       3.769102  42.89537       5.798415  464.2171 17.26027 421.9786 29.39479 42.23846       34.08769 
1 1 1 -20 20 7  o 246.9581 21.43708 14.60852       2.465632  14.60852       2.465632  0.000000       0.000000  246.9581 21.43708 ?        ?        0.000000       21.43708 
1 1 1 -20 20 8  o 476.3854 13.33010 53.62125       2.987179  51.37352       3.271491  64.89299       7.326022  466.0252 14.92337 518.4120 30.17213 -52.38687      33.66103 
1 1 1 -20 20 9  o 256.8061 16.13479 15.68317       1.939211  15.71571       2.087742  15.47860       5.234860  256.8480 17.38183 245.6657 47.01193 11.18227       50.12234 
1 1 1 -20 20 10 o 177.9068 21.06449 7.643507       1.728611  7.950766       1.825043  4.964329       5.389167  181.3254 21.83566 151.4265 56.44657 29.89891       60.52282 
1 1 1 -20 20 11 o 173.8043 24.83749 7.382616       1.972909  6.532144       2.085707  14.61356       6.081643  162.3821 28.33596 233.5545 56.06626 -71.17242      62.82000 
1 1 1 -20 20 12 o 485.0241 12.29324 55.62144       2.804782  59.01598       3.058003  37.63377       7.039387  499.4474 13.01604 388.1900 39.08111 111.2574       41.19163 
1 1 1 -20 20 13 o 375.2595 12.84882 33.32595       2.268110  34.70425       2.420079  23.37396       6.502995  382.8304 13.43860 299.9627 47.68264 82.86768       49.54018 
1 1 1 -20 20 14 o 469.6364 12.58854 52.20677       2.781035  54.36752       2.991278  38.43639       7.551393  479.0869 13.27313 388.9400 41.93723 90.14691       43.98758 
1 1 1 -20 20 15 o 343.1706 15.80901 27.99699       2.552019  27.99699       2.552019  0.000000       0.000000  343.1706 15.80901 ?        ?        0.000000       15.80901 
1 1 1 -20 20 16 o 159.9537 39.35231 6.684176       2.940669  7.152200       3.460960  5.469043       5.576663  164.2286 43.93892 152.1847 57.28385 12.04390       72.19465 
1 1 1 -20 20 17 f 157.5678 31.26390 6.313159       2.235491  5.294021       2.427217  12.01033       5.738812  142.7528 36.11748 205.8289 57.20968 -63.07603      67.65663 
1 1 1 -20 20 18 o 246.4973 23.30549 14.83610       2.670278  15.42113       3.015237  12.70918       5.749225  250.2527 25.99298 210.5384 56.75917 39.71426       62.42786 
1 1 1 -20 20 19 o 191.6909 29.41708 9.270519       2.567871  10.32654       2.938848  5.861905       5.279950  201.2850 32.11776 150.6192 55.92570 50.66577       64.49213 
1 1 1 -20 20 20 o 360.9874 18.96076 31.47852       3.208439  35.75325       3.928173  22.91144       5.560993  383.1292 21.88676 293.5931 41.41633 89.53610       46.84381 
1 1 1 -20 20 21 f 397.5020 19.60969 38.26005       3.666734  51.31363       4.909123  21.78779       5.514621  458.0538 22.78338 283.3507 42.69907 174.7031       48.39725 
1 1 1 -20 20 22 o 380.1072 19.24870 35.16215       3.430508  32.35480       4.441247  39.31459       5.401422  359.2692 26.46576 393.4095 29.39978 -34.14035      39.55735 
1 1 1 -20 20 23 o 126.4148 39.28316 4.440579       2.582477  4.680667       3.554268  4.172087       3.758644  129.3872 46.20308 125.0421 47.03600 4.345032       65.93261 
1 1 1 -20 20 24 o 194.2907 31.53739 10.06380       2.783521  2.934349       3.863120  17.76185       4.014213  113.2214 46.10901 256.7133 34.08432 -143.4919      57.33918 
1 1 1 -20 20 25 o 299.2514 25.45483 23.02337       3.549204  19.00714       6.267853  24.91896       4.306085  233.7765 57.41443 306.1241 30.30099 -72.34763      64.91969 
1 1 1 -20 22 1  o 194.8298 26.37169 9.228964       2.354809  8.017386       4.552861  9.671444       2.751410  177.0143 51.54519 198.5068 30.43617 -21.49255      59.86039 
1 1 1 -20 22 2  o 203.7193 26.66490 10.08606       2.493959  11.18906       5.526447  9.803984       2.794716  206.9449 55.58904 199.7712 30.72387 7.173645       63.51455 
1 1 1 -20 22 3  o 310.0995 17.96298 22.87064       2.609063  22.36627       4.347771  23.15448       3.261611  303.3868 30.89612 311.0678 22.44056 -7.681000      38.18572 
1 1 1 -20 22 4  o 209.3472 24.76844 10.60657       2.391853  10.38589       3.650354  10.77260       3.166248  202.9762 39.65350 208.7113 33.37446 -5.735077      51.82909 
1 1 1 -20 22 5  o 232.9235 22.36494 13.04223       2.420348  10.86941       2.809899  19.28954       4.764586  210.7817 29.11669 279.1570 37.20998 -68.37534      47.24790 
1 1 1 -20 22 6  o 418.6718 28.11268 42.29907       5.504508  42.29907       5.504508  0.000000       0.000000  418.6718 28.11268 ?        ?        0.000000       28.11268 
1 1 1 -20 22 7  o 208.1361 21.99336 10.44079       2.120704  11.77441       2.353595  4.684899       4.889592  220.9312 22.98314 146.5115 53.92774 74.41972       58.62104 
1 1 1 -20 22 8  o 610.3932 16.74129 88.37505       4.806932  88.75069       5.862129  87.60405       8.398343  610.4392 20.41473 602.3375 29.64042 8.101685       35.99050 
1 1 1 -20 22 9  o 77.18411 30.31403 0.8791678      1.608796  1.366466       1.690815  -3.781213      5.228889  84.82751 31.61798 99.88787 46.37694 -15.06036      56.12947 
1 1 1 -20 22 10 o 664.6031 12.56635 104.4389       3.928629  113.0148       4.437303  73.33532       8.450510  691.0235 13.65076 547.6022 32.95919 143.4213       35.67424 
1 1 1 -20 22 11 o 127.9062 32.64290 4.141960       1.970594  5.211825       2.141921  -1.754459      5.028440  143.5238 32.48301 105.8885 47.74251 37.63528       57.74507 
1 1 1 -20 22 12 o 388.4823 14.06189 35.75905       2.569710  35.75905       2.569710  0.000000       0.000000  388.4823 14.06189 ?        ?        0.000000       14.06189 
1 1 1 -20 22 13 o 575.3608 12.34833 78.33465       3.342086  82.83614       3.628506  53.15101       8.582405  591.4550 13.04178 459.4430 40.11300 132.0119       42.17986 
1 1 1 -20 22 14 o 390.8788 14.17537 36.24424       2.606429  36.24424       2.606429  0.000000       0.000000  390.8788 14.17537 ?        ?        0.000000       14.17537 
1 1 1 -20 22 15 o 186.4939 22.64319 8.487228       1.945680  7.464209       2.027654  20.37753       6.912708  173.8600 25.55531 271.8669 55.91982 -98.00690      61.48251 
1 1 1 -20 22 16 o 196.5447 29.42159 9.660169       2.636523  9.839744       2.901920  8.810940       6.310669  197.2059 32.40822 178.1365 61.73124 19.06941       69.72115 
1 1 1 -20 22 17 o 107.1730 37.04952 2.730173       2.272498  3.221715       2.609922  1.189333       4.620891  115.2620 39.71297 114.8216 48.85383 0.4403992      62.95885 
1 1 1 -20 22 18 o 182.2780 38.22543 8.768233       3.172911  10.34780       4.245162  6.768989       4.775933  193.5968 47.07112 156.9583 53.73788 36.63849       71.43844 
1 1 1 -20 22 19 o 201.6799 29.14332 10.29214       2.684651  10.79589       3.233868  9.175208       4.815390  203.6422 35.02133 177.6586 53.34330 25.98363       63.81224 
1 1 1 -20 22 20 o 173.1193 34.84151 7.921828       2.739115  8.896561       3.367525  6.016105       4.708669  180.4173 40.65364 146.9847 53.09880 33.43260       66.87452 
1 1 1 -20 22 21 o 230.4780 29.91629 13.64389       3.166944  25.50991       4.242520  -1.289499      4.759380  316.9570 28.76809 99.05773 45.35549 217.8993       53.70962 
1 1 1 -20 22 22 o 97.79304 40.87225 1.415938       3.142626  0.3878147      3.611876  4.619501       6.375685  95.22787 41.83483 136.7890 57.75290 -41.56113      71.31305 
1 1 1 -20 22 23 f 170.7547 36.89484 8.144128       2.876976  12.49135       3.991746  3.444938       4.150197  207.8047 42.27435 118.4529 47.95555 89.35181       63.92853 
1 1 1 -20 24 1  o 455.8990 16.43444 49.23087       3.524463  47.54255       6.273870  50.00936       4.260228  443.3519 30.26358 458.7765 19.74069 -15.42462      36.13280 
1 1 1 -20 24 2  o 310.4881 21.87066 23.07245       3.173890  25.62723       6.814861  22.36481       3.586614  318.0685 46.96014 304.7913 25.24291 13.27716       53.31472 
1 1 1 -20 24 3  f 467.3882 16.04907 51.74112       3.528555  52.89282       5.565907  50.96721       4.562589  469.4916 25.29555 462.7415 20.96059 6.750092       32.85135 
1 1 1 -20 24 4  f 220.1389 26.27100 11.77239       2.666725  10.93189       3.961460  12.46889       3.606166  207.1839 42.08311 223.9044 35.41658 -16.72050      55.00293 
1 1 1 -20 24 5  o 220.7337 24.64450 11.79690       2.515247  10.76657       2.921221  14.75030       4.945812  209.1260 30.60069 240.0099 45.47111 -30.88394      54.80898 
1 1 1 -20 24 6  o 244.8853 25.76280 14.53245       2.923228  14.53245       2.923228  0.000000       0.000000  244.8853 25.76280 ?        ?        0.000000       25.76280 
1 1 1 -20 24 7  o 64.29266 29.10094 -0.9795459     1.889429  -0.7688158     2.064461  -2.066588      4.688851  69.35948 30.98402 100.9461 45.75363 -31.58665      55.25761 
1 1 1 -20 24 8  o 258.7484 18.37981 15.99679       2.222560  18.41560       2.444236  4.447087       5.341060  277.6071 18.82864 146.6555 55.85707 130.9515       58.94514 
1 1 1 -20 24 9  o 312.4796 15.16171 23.14578       2.228636  23.23692       2.390824  22.54162       6.155757  312.4878 16.32131 296.5628 45.58536 15.92496       48.41911 
1 1 1 -20 24 10 o 385.5360 17.05013 35.32556       3.092160  36.61351       3.484959  30.55886       6.704343  392.0381 18.89731 347.6600 41.83494 44.37811       45.90502 
1 1 1 -20 24 11 o 187.6824 24.14683 8.598520       2.082387  8.078884       2.227333  12.20571       5.868399  181.0208 26.98127 210.9911 57.53910 -29.97028      63.55106 
1 1 1 -20 24 12 o 209.6743 17.69627 10.54418       1.729096  11.26281       1.818875  3.799049       5.572442  216.6767 18.00836 141.6684 56.16948 75.00827       58.98569 
1 1 1 -20 24 13 o 244.4598 16.30391 14.28140       1.864105  14.45576       1.952770  12.49108       6.257359  245.7883 16.99398 210.4384 60.18226 35.34990       62.53559 
1 1 1 -20 24 14 o 337.8750 14.13000 27.10707       2.245781  25.88750       2.355433  39.29846       7.447233  329.9473 15.17598 391.6671 41.03020 -61.71985      43.74686 
1 1 1 -20 24 15 o 163.1615 26.38344 6.634527       1.955855  5.863935       2.040510  15.34780       6.861470  152.1443 29.57635 228.9393 62.12751 -76.79504      68.80834 
1 1 1 -20 24 16 o 257.2022 20.59166 16.03278       2.470464  18.31597       2.660831  1.767539       6.650985  274.9569 20.72469 133.5686 57.74398 141.3883       61.35047 
1 1 1 -20 24 17 o 363.8926 27.16271 32.76516       4.616087  37.69323       6.058525  25.94530       7.127156  385.3883 33.75982 305.0817 51.49609 80.30661       61.57574 
1 1 1 -20 24 18 o 184.6379 29.48131 8.683652       2.474440  6.661721       2.684406  20.11296       6.382268  158.0770 36.79031 264.2923 53.17758 -106.2152      64.66361 
1 1 1 -20 24 19 o 238.7111 26.27520 14.28342       2.901596  22.75466       4.068504  5.514517       4.139367  299.8093 29.21969 141.2081 49.92105 158.6012       57.84377 
1 1 1 -20 24 20 f 116.7701 46.90638 2.931132       3.937117  2.862961       5.269966  3.017242       5.922904  124.1591 52.46824 128.5091 55.00866 -4.350060      76.01888 
1 1 1 -20 24 21 o 129.5664 43.81239 4.758288       3.174230  4.465153       3.721440  5.541023       6.081131  127.2395 47.00977 140.6512 57.62986 -13.41171      74.37150 
1 1 1 -20 26 1  o 132.5418 45.56421 4.099433       3.434729  7.167064       5.805807  2.447681       4.260235  170.8877 59.21098 124.0739 49.13830 46.81386       76.94487 
1 1 1 -20 26 2  o 123.9545 39.37067 3.744916       2.579991  0.3711723      4.142169  5.883415       3.297816  108.0890 46.12791 151.9719 43.75890 -43.88287      63.58165 
1 1 1 -20 26 3  o 222.6779 26.18550 12.05323       2.690496  7.886794       4.223709  14.89824       3.490229  174.2439 49.31112 246.4815 30.77279 -72.23759      58.12531 
1 1 1 -20 26 4  o 188.6221 32.90258 8.871128       2.813215  11.25101       3.404866  3.751487       4.993925  212.1577 35.36182 139.5261 53.79583 72.63161       64.37740 
1 1 1 -20 26 5  o 103.1861 38.84514 2.031267       2.564542  2.031267       2.564542  0.000000       0.000000  103.1861 38.84514 ?        ?        0.000000       38.84514 
1 1 1 -20 26 6  o 94.45595 35.56248 1.677702       2.149530  2.939882       2.370483  -4.161713      5.098716  112.1468 37.86165 96.74532 45.20943 15.40146       58.96946 
1 1 1 -20 26 7  o 356.6839 16.21542 30.19543       2.720702  27.67110       2.951467  44.47087       7.018752  340.5040 18.49603 424.3913 35.48357 -83.88727      40.01484 
1 1 1 -20 26 8  o 375.5273 20.51327 33.77179       3.609933  31.09492       4.186787  41.52795       7.126742  358.7428 24.96567 408.4042 37.51579 -49.66144      45.06350 
1 1 1 -20 26 9  o 221.6029 19.04208 11.79392       1.965712  10.66777       2.078523  21.33175       6.048981  210.1138 21.32508 286.7273 46.43600 -76.61345      51.09854 
1 1 1 -20 26 10 o 319.2808 15.08165 24.20014       2.265119  25.94986       2.436856  13.08264       6.142549  330.4994 15.67436 216.9762 58.74166 113.5232       60.79694 
1 1 1 -20 26 11 o 215.2169 18.12446 11.12585       1.817813  11.54333       1.911330  7.170036       5.883500  219.0932 18.72531 166.7570 59.45569 52.33615       62.33472 
1 1 1 -20 26 12 o 258.7901 16.15469 16.00606       1.956769  16.39788       2.051689  12.06302       6.508542  261.7966 16.74789 205.0580 62.11700 56.73862       64.33517 
1 1 1 -20 26 13 o 214.3942 20.23916 11.12957       2.017000  11.12957       2.017000  0.000000       0.000000  214.3942 20.23916 ?        ?        0.000000       20.23916 
1 1 1 -20 26 14 o 65.23886 28.86429 -0.4225177     1.748536  -0.6270641     1.841922  1.442628       5.562009  65.36942 29.22933 124.2071 53.24048 -58.83769      60.73634 
1 1 1 -20 26 15 o 306.4593 18.05819 22.60687       2.591748  25.42848       2.872960  10.27349       6.006509  324.7380 18.88893 186.3590 60.16590 138.3790       63.06130 
1 1 1 -20 26 16 o 399.2542 16.78007 38.21181       3.151465  41.94706       3.581377  25.39536       6.633974  417.6040 18.23124 303.5423 48.06144 114.0617       51.40311 
1 1 1 -20 26 17 o 143.8838 38.32589 5.601050       2.640515  8.422651       2.994259  -4.268728      5.600092  177.6331 37.03405 97.14325 46.00347 80.48984       59.05794 
1 1 1 -20 26 18 f 228.6884 30.61664 13.44901       3.210940  19.58480       3.971738  1.872473       5.455503  276.1493 31.11746 120.7727 52.25468 155.3766       60.81816 
1 1 1 -20 28 1  o 77.56642 36.26970 -2.924571      3.290101  -5.936386      5.138371  -0.8317480     4.283291  90.91406 43.34235 102.1209 45.17971 -11.20685      62.60803 
1 1 1 -20 28 2  o 109.1658 40.15485 2.463570       2.710325  -0.6726839     3.402647  7.907254       4.482887  91.54926 40.39712 173.5918 51.31954 -82.04249      65.31173 
1 1 1 -20 28 3  o 102.9646 37.62397 2.201981       2.373825  2.815918       3.564842  1.712864       3.181892  120.1243 45.66196 106.5243 42.37827 13.60001       62.29713 
1 1 1 -20 28 4  o 169.5431 32.33436 7.223566       2.484662  6.290115       2.898587  9.809752       4.824702  156.2886 39.42903 191.6823 52.13003 -35.39371      65.36198 
1 1 1 -20 28 5  o 100.1938 39.57710 1.569118       2.756931  1.569118       2.756931  0.000000       0.000000  100.1938 39.57710 ?        ?        0.000000       39.57710 
1 1 1 -20 28 6  o 232.6850 23.43337 13.12840       2.530008  12.53911       2.839096  15.40131       5.575836  226.1714 27.23274 240.4317 50.88698 -14.26030      57.71574 
1 1 1 -20 28 7  o 264.0750 20.68946 16.78511       2.549518  15.83093       2.857596  20.50833       5.644764  255.3813 24.07113 281.7820 44.02589 -26.40063      50.17667 
1 1 1 -20 28 8  o 361.1488 15.86343 31.01016       2.694962  30.39452       2.966565  33.91796       6.447211  357.0868 17.66082 366.9604 37.89501 -9.873566      41.80833 
1 1 1 -20 28 9  o 118.2320 38.81660 3.441502       2.495025  1.624642       2.837668  9.631392       5.237720  100.9615 40.06605 186.7316 55.53538 -85.77008      68.47968 
1 1 1 -20 28 10 o 262.0251 17.63524 16.46463       2.161022  20.65975       2.406971  -0.9732462     4.907328  293.6814 17.50254 106.6134 47.68765 187.0680       50.79814 
1 1 1 -20 28 11 o 200.6315 20.91645 9.782264       1.945018  9.338655       2.102577  12.41379       5.121013  195.2102 23.36115 211.5396 51.86239 -16.32941      56.88103 
1 1 1 -20 28 12 o 346.3906 16.33292 28.64910       2.661333  28.64910       2.661333  0.000000       0.000000  346.3906 16.33292 ?        ?        0.000000       16.33292 
1 1 1 -20 28 13 o 109.1224 35.13536 2.992579       2.049423  2.742306       2.238030  4.292509       5.100574  106.6698 36.77362 137.9654 54.03891 -31.29556      65.36438 
1 1 1 -20 28 14 o 199.0345 25.53139 9.862330       2.335301  11.90908       2.597195  1.221463       5.336434  218.8930 25.71319 119.2714 51.64315 99.62159       57.69041 
1 1 1 -20 30 1  o 158.1366 37.30942 6.440270       2.730512  6.620096       4.590047  6.341781       3.396933  159.8162 52.65752 155.7698 44.27100 4.046432       68.79488 
1 1 1 -20 30 2  o 168.0583 37.77496 7.280726       2.913638  6.161019       3.704698  9.096314       4.717473  153.6754 46.93455 183.5813 52.16974 -29.90585      70.17502 
1 1 1 -20 30 3  o 392.2733 17.62420 36.66878       3.252127  27.96414       4.400790  47.14167       4.827122  338.2371 27.90846 442.0683 23.29514 -103.8312      36.35308 
1 1 1 -20 30 4  o 181.2306 30.54402 8.231523       2.511329  7.214005       2.919090  11.12961       4.926427  166.9322 38.02369 202.3460 51.59748 -35.41373      64.09447 
1 1 1 -20 30 5  o 121.8410 38.00914 3.738567       2.415042  4.794062       2.761627  0.3073722      4.979199  136.2569 40.27903 114.5241 49.73599 21.73285       64.00053 
1 1 1 -20 30 6  o 442.9449 18.16058 46.86883       3.783978  55.60533       4.724811  31.24257       6.318924  481.2775 20.86986 350.3502 39.00379 130.9273       44.23626 
1 1 1 -20 30 7  o 100.5156 36.81514 2.161521       2.274763  1.968624       2.556526  2.894768       4.984400  101.0857 38.61020 129.7419 52.54459 -28.65629      65.20492 
1 1 1 -20 30 8  o 116.5203 35.30946 3.453759       2.102751  4.900209       2.347587  -2.415874      4.729067  137.2367 35.93925 97.51530 44.85553 39.72140       57.47738 
1 1 1 -19 1  1  o 301.7527 20.62873 21.57001       2.910592  21.40263       4.230695  21.72042       4.010521  299.3065 30.47381 301.8226 28.58826 -2.516083      41.78447 
1 1 1 -19 1  2  o 789.0999 13.59479 146.6165       5.046308  152.9799       7.530704  141.4305       6.798452  805.5365 19.87381 774.6407 18.65694 30.89575       27.25894 
1 1 1 -19 1  3  o 79.96478 33.44417 0.2580557      2.106214  1.915839       3.121992  -1.126726      2.853373  110.4882 42.55297 82.05598 36.55756 28.43225       56.10000 
1 1 1 -19 1  4  o 1076.659 15.02658 273.0020       7.610399  293.8376       11.55239  257.0268       10.11561  1116.151 22.00289 1044.080 20.59628 72.07043       30.13858 
1 1 1 -19 1  5  o 593.2189 13.09328 82.85143       3.653700  79.87817       5.082499  86.03127       5.256097  582.1862 18.55864 604.1978 18.49332 -22.01154      26.19973 
1 1 1 -19 1  6  o 402.7596 12.77262 38.18890       2.419887  36.46109       3.395612  39.97200       3.449498  393.3473 18.35154 411.8735 17.80421 -18.52621      25.56891 
1 1 1 -19 1  7  o 548.7148 12.76159 70.88295       3.293979  76.07016       5.136308  67.25913       4.293061  568.0989 19.22020 534.3056 17.08079 33.79327       25.71321 
1 1 1 -19 1  8  o 772.8021 14.58672 140.6440       5.302677  147.2057       7.688366  134.6909       7.323190  790.1227 20.68570 755.7983 20.59800 34.32446       29.19205 
1 1 1 -19 1  9  o 217.8045 16.26468 11.23793       1.654386  9.818716       2.194755  13.10547       2.517655  202.6331 23.45920 234.5385 23.12060 -31.90538      32.93776 
1 1 1 -19 1  10 o 269.9416 14.07301 17.20775       1.780818  17.46282       2.483095  16.93762       2.555374  271.4377 19.57848 267.2036 20.48627 4.234100       28.33733 
1 1 1 -19 1  11 o 536.8255 10.71488 67.83643       2.705762  65.48386       3.641392  70.73669       4.043109  527.2446 14.68203 547.9235 15.68651 -20.67889      21.48554 
1 1 1 -19 1  12 o 642.7495 10.71569 97.25539       3.239895  94.89129       4.508655  99.77960       4.658843  634.6078 15.10331 650.7394 15.21955 -16.13159      21.44166 
1 1 1 -19 1  13 f 612.0820 14.45088 88.27657       4.160766  84.80976       5.838167  91.85494       5.931362  599.3716 20.70671 623.8246 20.21262 -24.45306      28.93644 
1 1 1 -19 1  14 o 315.3664 14.12060 23.43756       2.094777  23.83057       2.934868  23.02941       2.990849  317.0959 19.77416 311.6057 20.51901 5.490173       28.49644 
1 1 1 -19 1  15 o 435.4519 12.60093 44.67682       2.581143  42.45850       3.600519  47.02218       3.702179  424.1126 18.04740 446.3605 17.63203 -22.24789      25.23088 
1 1 1 -19 1  16 o 271.5095 16.31367 17.45971       2.073893  15.40096       2.932122  19.52072       2.933736  253.6953 24.89026 286.3817 21.94438 -32.68636      33.18254 
1 1 1 -19 1  17 o 170.0683 24.48499 7.001713       1.902349  2.353416       2.731638  11.37909       2.650837  109.7768 40.32256 217.2423 26.48844 -107.4655      48.24465 
1 1 1 -19 1  18 o 189.4158 31.01935 8.800069       2.668175  10.04412       2.969417  3.585018       6.079678  202.3432 32.28193 149.1838 58.82175 53.15942       67.09785 
1 1 1 -19 1  19 o 479.9104 13.65159 54.40118       3.081859  52.68142       4.375616  56.09416       4.341400  471.1732 19.74192 486.3588 18.97596 -15.18561      27.38303 
1 1 1 -19 1  21 o 434.0068 16.71624 44.73067       3.412749  42.48449       4.422295  48.03806       5.366218  420.8001 22.42185 446.1891 25.67533 -25.38901      34.08757 
1 1 1 -19 1  22 o 246.4003 22.08315 14.68091       2.532438  15.28936       3.589630  14.07800       3.573243  248.1372 31.45963 237.3904 32.88147 10.74680       45.50714 
1 1 1 -19 1  23 o 123.5872 43.70725 3.645324       3.173300  2.675981       3.624446  6.828182       6.567673  117.4398 45.67603 164.2453 62.08755 -46.80544      77.07895 
1 1 1 -19 1  24 o 149.2829 33.02356 5.779682       2.257546  2.517168       3.212476  8.962890       3.173191  111.5171 43.10471 184.5874 37.81623 -73.07027      57.34180 
1 1 1 -19 1  25 o 215.5571 49.67149 13.23946       4.933117  13.88228       6.677969  12.46730       7.318973  209.8699 62.77394 196.2106 66.52686 13.65930       91.46798 
1 1 1 -19 1  26 o 102.4100 37.77610 2.429844       2.401183  1.807645       3.528285  2.966630       3.277174  105.9012 43.70268 113.8385 43.65888 -7.937332      61.77396 
1 1 1 -19 1  27 o 282.3581 23.03812 19.79146       3.033296  19.42957       4.284803  20.15501       4.294669  271.4232 34.32682 277.0615 33.64235 -5.638275      48.06390 
1 1 1 -19 1  28 o 374.7969 23.84141 35.13847       4.181519  34.95839       5.942403  35.31511       5.885134  361.2492 35.42502 363.8450 34.80996 -2.595825      49.66554 
1 1 1 -19 1  29 f 130.9828 47.29116 5.138850       3.734212  0.6067182      6.372537  7.508919       4.608308  114.2854 52.38443 151.1610 52.73096 -36.87563      74.32822 
1 1 1 -19 1  30 o 96.03120 38.79817 2.014074       2.710495  -3.211586      3.792839  7.468347       3.874916  76.86550 36.80613 150.5473 48.29566 -73.68183      60.72200 
1 1 1 -19 1  31 f 129.3661 51.54855 5.967860       4.714947  10.89180       6.768074  1.324911       6.572125  153.8481 61.60605 109.9924 51.37558 43.85574       80.21693 
1 1 1 -19 1  32 o 90.48683 41.84520 0.2967585      4.195210  0.7187872      5.938804  -0.1236029     5.927061  100.7337 47.60471 98.00159 46.67393 2.732140       66.66832 
1 1 1 -19 1  33 o 102.2642 44.57353 3.474155       4.029252  7.514864       6.112987  0.3700952      5.357840  120.5507 53.62169 92.50488 44.14427 28.04587       69.45504 
1 1 1 -19 3  1  o 694.1518 13.03759 113.4383       4.257172  112.0392       8.527816  113.9027       4.913175  688.8558 26.31723 695.4636 15.01822 -6.607727      30.30088 
1 1 1 -19 3  2  o 464.5582 19.26871 50.86526       4.210776  0.000000       0.000000  50.86526       4.210776  ?        ?        464.5582 19.26871 0.000000       19.26871 
1 1 1 -19 3  3  o 533.4689 14.51491 67.01508       3.642444  66.23674       4.534689  68.43044       6.115019  530.1832 18.18244 538.5099 24.13986 -8.326660      30.22142 
1 1 1 -19 3  4  o 705.9669 13.02730 117.3332       4.326216  116.0077       5.424712  119.6492       7.170718  701.7708 16.43282 712.3256 21.40005 -10.55481      26.98147 
1 1 1 -19 3  5  o 447.6458 13.97997 47.18265       2.943813  43.25457       4.427254  50.29580       3.941344  427.6925 22.08095 462.0060 18.13541 -34.31351      28.57379 
1 1 1 -19 3  6  o 857.6169 12.83651 173.1523       5.178569  179.6757       7.384156  166.8386       7.264514  873.2343 17.97632 841.4295 18.35353 31.80481       25.69047 
1 1 1 -19 3  7  o 1256.316 16.83605 371.8272       9.949660  395.6600       17.13047  359.6942       12.22265  1294.073 28.14110 1235.087 21.03772 58.98669       35.13556 
1 1 1 -19 3  8  o 1302.264 16.04369 399.4829       9.828164  397.2324       12.03730  403.9834       17.02200  1298.087 19.71316 1307.616 27.67331 -9.528687      33.97677 
1 1 1 -19 3  9  o 727.2358 11.15250 124.4882       3.815194  127.4165       5.158980  120.9537       5.667847  735.5140 14.91089 716.4824 16.81680 19.03162       22.47531 
1 1 1 -19 3  10 o 671.0778 10.76499 106.0044       3.398252  114.9871       4.792344  96.91957       4.819479  698.7057 14.58090 641.3769 15.97414 57.32886       21.62813 
1 1 1 -19 3  11 o 502.7356 10.76380 59.49576       2.545509  61.24952       3.460917  57.42900       3.757080  509.9195 14.42847 493.6635 16.17894 16.25598       21.67807 
1 1 1 -19 3  12 o 792.0662 12.90491 147.7546       4.808236  154.7891       6.018669  135.3448       7.993993  810.4338 15.78751 757.0540 22.44748 53.37988       27.44330 
1 1 1 -19 3  13 f 1192.587 13.60175 335.0681       7.630524  354.8311       11.27426  318.3633       10.36533  1226.183 19.54625 1161.579 18.96991 64.60437       27.23808 
1 1 1 -19 3  14 o 574.6808 13.16760 77.81140       3.559612  80.64805       6.009639  76.27833       4.418010  584.1759 21.86933 568.7100 16.51454 15.46588       27.40434 
1 1 1 -19 3  15 o 63.89676 28.06310 -0.4183378     1.624316  -0.6097189     2.533561  -0.2847744     2.116536  79.91309 35.07398 75.00526 32.50004 4.907829       47.81670 
1 1 1 -19 3  16 o 635.0170 12.38170 95.03645       3.698579  88.37536       4.909884  103.7749       5.623628  611.8023 17.06046 662.8170 18.03656 -51.01471      24.82694 
1 1 1 -19 3  17 o 252.8767 25.49294 15.34338       2.991110  0.000000       0.000000  15.34338       2.991110  ?        ?        252.8767 25.49294 0.000000       25.49294 
1 1 1 -19 3  18 o 600.3527 12.99735 85.04747       3.670546  89.22009       5.328034  81.27831       5.063903  613.8950 18.45031 585.9520 18.37190 27.94299       26.03729 
1 1 1 -19 3  19 o 502.8930 13.72602 59.74886       3.247056  61.67512       4.897445  58.23793       4.337444  509.5571 20.43184 495.5701 18.60628 13.98703       27.63428 
1 1 1 -19 3  20 o 619.2655 13.53860 90.67966       3.943845  91.04398       5.697833  90.34457       5.464368  618.7153 19.57715 616.5862 18.83982 2.129089       27.16991 
1 1 1 -19 3  21 o 323.4993 17.40436 24.94853       2.638765  21.24723       3.811154  28.35677       3.657164  295.3518 27.75700 343.3622 22.77162 -48.01044      35.90261 
1 1 1 -19 3  22 o 347.8408 18.29073 28.94384       2.982312  29.42034       4.909912  28.66526       3.754210  345.6298 30.51231 344.3646 23.31293 1.265137       38.39913 
1 1 1 -19 3  23 o 120.3142 36.15977 3.700002       2.211924  -1.828002      3.239647  8.527377       3.027394  81.27017 37.28783 181.3993 36.73796 -100.1292      52.34558 
1 1 1 -19 3  24 o 548.9703 18.23617 72.35031       4.709252  87.06897       10.46136  68.60970       5.273817  581.2935 38.47567 532.8022 21.04213 48.49127       43.85372 
1 1 1 -19 3  25 o 437.5994 16.59374 45.94837       3.415782  45.74325       5.066627  46.11929       4.624835  430.5224 25.12723 434.1460 22.72499 -3.623627      33.87924 
1 1 1 -19 3  26 o 277.0028 29.84140 19.56509       3.827039  21.10020       4.333848  14.12901       8.155406  285.4774 32.87288 199.5497 70.11809 85.92763       77.44141 
1 1 1 -19 3  27 o 211.1978 29.05466 11.47794       2.810085  5.815294       3.841403  17.99644       4.121483  141.7245 48.19595 260.9851 34.41038 -119.2606      59.21929 
1 1 1 -19 3  28 f 142.6632 37.32434 5.689344       2.533615  6.299495       3.761692  5.182731       3.427699  144.8219 47.66754 133.6544 45.52642 11.16750       65.91547 
1 1 1 -19 3  29 o 131.3132 41.56317 5.064851       2.877269  4.036861       4.698211  5.681791       3.639652  123.6242 50.65430 136.2610 46.90026 -12.63676      69.03255 
1 1 1 -19 3  30 o 98.81017 41.74956 1.832679       3.335873  18.66825       7.509781  -2.305872      3.723381  209.1491 67.24889 79.53199 37.61829 129.6171       77.05550 
1 1 1 -19 3  31 o 105.8362 42.37811 3.110767       3.202402  3.543401       6.404169  2.966517       3.697937  117.3052 53.28622 106.3502 44.38301 10.95507       69.34892 
1 1 1 -19 3  32 o 117.6396 48.84776 5.085163       4.447315  2.640607       6.111926  7.835910       6.483408  107.5067 49.98929 129.1378 56.40701 -21.63116      75.37029 
1 1 1 -19 3  33 o 100.9469 47.48004 2.667658       5.780968  2.667658       5.780968  0.000000       0.000000  100.9469 47.48004 ?        ?        0.000000       47.48004 
1 1 1 -19 5  1  o 1235.859 14.70991 359.6339       8.551616  372.4733       18.21804  356.0053       9.684909  1255.355 30.85076 1229.406 16.74677 25.94885       35.10304 
1 1 1 -19 5  2  o 855.2692 14.69936 172.2399       5.913852  166.1646       7.134295  185.5827       10.57276  839.8093 18.05931 886.7946 25.34522 -46.98523      31.12103 
1 1 1 -19 5  3  o 667.0471 13.75410 104.7575       4.315766  106.6029       5.735268  102.3484       6.552971  672.6499 18.12572 658.8854 21.14264 13.76453       27.84875 
1 1 1 -19 5  4  o 947.4451 13.43290 211.3317       5.986777  203.1808       7.140651  230.6183       10.98404  928.7800 16.34390 988.7422 23.61617 -59.96228      28.72014 
1 1 1 -19 5  5  o 761.1240 12.30182 136.3660       4.404475  141.1402       5.693544  129.2509       6.950573  774.1380 15.63490 740.5072 19.95363 33.63080       25.34951 
1 1 1 -19 5  6  o 939.3001 13.30385 207.7176       5.878290  213.1698       8.342833  202.3423       8.283797  951.0988 18.64741 926.5950 19.00510 24.50372       26.62555 
1 1 1 -19 5  7  o 89.05225 31.67551 1.608857       1.668976  4.117123       2.760920  0.1644827      2.095110  131.7604 40.56400 78.88990 33.19619 52.87046       52.41589 
1 1 1 -19 5  8  o 1276.751 15.88048 383.9866       9.537604  393.9268       12.02432  367.1225       15.66185  1292.627 19.77506 1246.660 26.70705 45.96790       33.23130 
1 1 1 -19 5  9  o 694.1634 11.94185 113.4394       3.899445  111.9146       4.671325  116.9441       7.082035  689.3374 14.40585 704.0878 21.38267 -14.75037      25.78269 
1 1 1 -19 5  10 o 1538.800 32.08451 560.9394       23.22454  0.000000       0.000000  560.9394       23.22454  ?        ?        1538.800 32.08451 0.000000       32.08451 
1 1 1 -19 5  11 o 607.0795 12.85944 86.79121       3.672290  90.45779       5.917510  84.49470       4.683190  619.1892 20.31638 598.7415 16.62774 20.44769       26.25332 
1 1 1 -19 5  12 o 834.1774 13.19304 163.9034       5.176933  166.3999       6.243900  158.4126       9.259853  840.2415 15.79729 818.7056 24.04402 21.53583       28.76924 
1 1 1 -19 5  13 o 883.8971 16.46007 184.2198       6.843886  184.2198       6.843886  0.000000       0.000000  883.8971 16.46007 ?        ?        0.000000       16.46007 
1 1 1 -19 5  14 o 797.9341 13.50925 150.0391       5.070694  167.0630       9.077656  142.3181       6.113370  840.4703 22.96054 776.7357 16.73162 63.73456       28.41010 
1 1 1 -19 5  15 o 403.1638 12.73024 38.30452       2.414278  41.48488       3.496223  35.40570       3.337887  419.1832 17.73070 387.2038 18.32579 31.97943       25.49927 
1 1 1 -19 5  16 o 733.3719 12.36115 126.7723       4.264347  132.4702       6.366014  122.1346       5.743334  748.7546 18.07419 719.1463 16.97765 29.60828       24.79752 
1 1 1 -19 5  17 o 363.8655 14.03117 31.24409       2.401618  30.63070       3.552325  31.76048       3.259357  358.9111 21.13379 365.8687 19.00357 -6.957581      28.42134 
1 1 1 -19 5  18 o 729.4634 12.71549 125.5756       4.363207  133.2377       6.558089  119.4904       5.844406  749.9596 18.58960 710.5085 17.48646 39.45111       25.52155 
1 1 1 -19 5  19 o 231.0826 27.69830 12.97563       2.950856  13.58753       3.377413  11.00179       6.065988  235.5453 31.25349 204.4104 59.48990 31.13498       67.19992 
1 1 1 -19 5  20 o 124.7684 32.78870 3.919620       1.949588  5.379256       3.042796  2.903092       2.539278  145.4352 42.07829 113.0452 39.15911 32.38998       57.48059 
1 1 1 -19 5  21 o 481.0401 14.09350 54.83120       3.189109  57.72536       4.876983  52.66918       4.215208  491.3198 21.10171 470.0197 19.06486 21.30008       28.43855 
1 1 1 -19 5  22 o 331.0227 16.95933 26.17316       2.631935  27.05896       3.973492  25.48073       3.513115  333.4156 25.52874 324.4629 23.16987 8.952728       34.47549 
1 1 1 -19 5  23 o 250.0886 20.79786 15.15168       2.424514  12.74345       3.687832  16.98495       3.217627  222.5795 36.48685 262.6335 26.40218 -40.05397      45.03738 
1 1 1 -19 5  24 o 87.88298 35.18072 1.184138       2.206399  6.714706       3.567308  -2.242387      2.807907  156.2690 45.66145 71.85792 33.56949 84.41113       56.67344 
1 1 1 -19 5  25 o 310.7804 19.03042 23.41370       2.768689  31.33022       4.392859  18.19642       3.566171  354.9049 26.50397 268.7561 28.64978 86.14877       39.02910 
1 1 1 -19 5  26 f 235.9039 33.54204 14.53455       3.617320  13.49186       4.013151  19.05173       8.352995  222.8762 39.73535 232.3180 70.36938 -9.441772      80.81304 
1 1 1 -19 5  27 o 601.9021 15.83019 87.24125       4.482098  85.33646       6.427732  89.04398       6.253160  587.4205 23.26159 601.4796 22.10087 -14.05914      32.08660 
1 1 1 -19 5  28 o 256.8865 24.20328 16.62123       2.890244  12.74950       4.326199  19.74233       3.884267  208.1879 45.45048 274.9813 30.54483 -66.79338      54.76069 
1 1 1 -19 5  29 o 190.2195 33.35810 9.867446       2.876035  6.936167       4.306184  12.22796       3.864265  146.2355 50.97536 204.8709 41.51946 -58.63542      65.74460 
1 1 1 -19 5  30 o 241.7922 32.10107 15.99151       3.560907  8.397741       7.005702  18.63684       4.134880  145.2946 60.89789 257.9898 34.97297 -112.6951      70.22579 
1 1 1 -19 5  31 f 152.8438 44.75026 7.792860       3.423301  3.656362       6.574207  9.331707       4.009819  117.2903 53.55282 162.8870 48.62524 -45.59671      72.33477 
1 1 1 -19 5  32 f 111.8207 50.89476 4.081451       5.878895  4.081451       5.878895  0.000000       0.000000  111.8207 50.89476 ?        ?        0.000000       50.89476 
1 1 1 -19 5  33 o 86.71041 42.41143 -1.978894      5.765079  -1.978894      5.765079  0.000000       0.000000  86.71041 42.41143 ?        ?        0.000000       42.41143 
1 1 1 -19 7  1  o 860.6611 13.02146 174.3685       5.271826  171.4626       11.12494  175.2100       5.986682  852.1947 27.75169 862.6329 14.75336 -10.43817      31.42957 
1 1 1 -19 7  2  o 540.8213 13.54074 68.85686       3.444811  71.41495       5.931333  67.55480       4.231647  550.3034 22.91294 535.5505 16.79730 14.75287       28.41043 
1 1 1 -19 7  3  f 51.20845 25.05666 -3.917873      2.018144  -6.374587      3.780114  -2.938466      2.386762  72.99142 35.39404 63.05092 29.90929 9.940495       46.33901 
1 1 1 -19 7  4  o 445.2735 15.83724 46.69463       3.317230  36.11824       5.054498  54.69679       4.396558  390.1092 27.72422 481.7600 19.40049 -91.65082      33.83802 
1 1 1 -19 7  5  o 777.3496 14.62807 142.2915       5.349003  144.4127       7.386359  139.9525       7.756469  782.7203 20.06109 770.4214 21.40260 12.29895       29.33459 
1 1 1 -19 7  6  o 757.7396 13.68655 135.1897       4.878466  131.9098       6.415949  139.6849       7.511162  748.1819 18.22991 769.7011 20.74511 -21.51923      27.61683 
1 1 1 -19 7  7  o 676.3507 11.87574 107.6842       3.778349  99.30084       4.787536  121.5286       6.152368  649.2857 15.67498 718.1024 18.21322 -68.81671      24.02969 
1 1 1 -19 7  8  o 264.1656 15.40244 16.49383       1.905668  19.11252       2.372056  11.72711       3.200310  284.2164 17.83251 220.3575 31.79400 63.85892       36.45350 
1 1 1 -19 7  9  o 806.8425 12.50075 153.2788       4.744538  153.1929       5.676383  153.4780       8.642529  806.4294 14.96360 806.3646 22.78453 0.6475830E-01  27.25883 
1 1 1 -19 7  10 o 1094.154 13.28065 281.9451       6.835451  293.3257       9.318081  268.6858       10.05782  1115.444 17.75863 1067.227 20.03447 48.21704       26.77216 
1 1 1 -19 7  11 o 888.4239 14.00696 185.9391       5.853741  189.3050       6.694031  175.0000       12.06767  896.2263 15.87818 859.4789 29.84824 36.74738       33.80879 
1 1 1 -19 7  12 o 385.1576 12.39761 34.93932       2.246186  36.02468       2.807927  33.01052       3.743185  390.9552 15.26826 373.2604 21.40813 17.69479       26.29502 
1 1 1 -19 7  13 o 293.2905 14.37348 20.27381       1.983029  21.96969       2.571532  17.78576       3.114752  304.6019 18.02716 273.0886 24.50743 31.51331       30.42355 
1 1 1 -19 7  14 o 427.2454 12.83014 43.01405       2.578564  43.85738       3.488123  41.99788       3.828940  431.0906 17.20101 421.6685 19.30359 9.422119       25.85543 
1 1 1 -19 7  15 f 881.8028 14.20245 183.3759       5.891202  173.4245       9.406680  189.7980       7.556705  855.5952 23.37215 896.4032 17.92090 -40.80804      29.45193 
1 1 1 -19 7  16 o 262.8543 19.26587 16.43149       2.365577  14.97919       4.596355  16.95479       2.759037  246.0456 41.16703 266.5561 22.20592 -20.51048      46.77422 
1 1 1 -19 7  17 o 422.0973 13.11522 42.04266       2.604099  40.64465       3.762236  43.32847       3.608102  414.2283 19.30799 427.8948 17.92554 -13.66653      26.34622 
1 1 1 -19 7  18 o 317.2527 15.40426 23.80296       2.298877  24.31022       3.559615  23.44001       3.011018  318.5258 23.93179 313.5098 20.53043 5.015991       31.53140 
1 1 1 -19 7  19 o 812.4578 14.76531 156.2046       5.643033  153.3977       7.229111  160.5827       9.028379  803.4677 19.12701 819.9958 23.40609 -16.52814      30.22727 
1 1 1 -19 7  20 f 454.0616 14.25466 48.82466       3.044675  43.12251       4.458960  53.80561       4.167447  424.0333 22.43428 475.5137 18.63107 -51.48035      29.16185 
1 1 1 -19 7  21 f 57.48390 26.91322 -1.724249      1.821417  0.4279563      2.996084  -2.985978      2.294009  93.11648 39.46715 60.02802 28.71222 33.08846       48.80623 
1 1 1 -19 7  22 o 64.76333 29.37670 -0.9775217     1.937516  -4.050956      3.070215  1.056516       2.497677  68.48098 32.87661 91.30260 37.11684 -22.82162      49.58358 
1 1 1 -19 7  23 o 286.9705 23.88504 20.12972       3.194992  0.000000       0.000000  20.12972       3.194992  ?        ?        286.9705 23.88504 0.000000       23.88504 
1 1 1 -19 7  24 o 74.88004 31.92664 0.2194943      1.981031  1.658132       3.486586  -0.4663717     2.407378  105.9788 43.55489 76.18392 33.77963 29.79485       55.11889 
1 1 1 -19 7  25 o 209.3300 25.48207 10.95458       2.457432  8.965528       3.764119  12.43211       3.244215  178.6732 44.85269 219.4176 32.40709 -40.74438      55.33519 
1 1 1 -19 7  26 o 177.1924 32.86145 8.259845       2.638202  1.564471       3.749063  14.82759       3.713158  105.7502 44.44774 237.7211 34.18889 -131.9709      56.07568 
1 1 1 -19 7  27 o 98.84171 40.97640 1.531342       3.122317  1.205793       3.513712  2.753270       6.807400  100.0228 42.58015 130.1722 57.30385 -30.14940      71.39188 
1 1 1 -19 7  28 o 138.0973 38.19431 5.397573       2.564598  -0.1235167     3.953258  9.409589       3.369955  94.70110 42.54886 181.6053 40.48156 -86.90415      58.72956 
1 1 1 -19 7  29 o 122.0523 42.35623 4.347081       2.971491  2.616528       6.600193  4.787022       3.327830  121.9245 54.86062 126.5982 44.76023 -4.673660      70.80371 
1 1 1 -19 7  30 o 220.7381 37.61278 14.10172       3.765529  0.000000       0.000000  14.10172       3.765529  ?        ?        220.7381 37.61278 0.000000       37.61278 
1 1 1 -19 7  31 o 172.4359 40.58529 9.333645       3.237309  21.23365       6.714675  5.729887       3.695126  225.8698 61.52815 127.9592 46.91330 97.91055       77.37294 
1 1 1 -19 7  32 o 173.2743 47.78268 11.11302       4.020740  8.249109       6.014202  13.42747       5.406578  129.6793 55.46821 171.3466 57.18300 -41.66730      79.66566 
1 1 1 -19 7  33 o 254.3684 58.03297 29.14388       6.790471  29.14388       6.790471  0.000000       0.000000  254.3684 58.03297 ?        ?        0.000000       58.03297 
1 1 1 -19 9  1  o 768.5453 14.30789 139.0713       5.172666  145.0951       10.29236  137.0356       5.983181  783.8528 27.91329 762.7554 16.67545 21.09741       32.51495 
1 1 1 -19 9  2  o 928.7941 13.50585 203.0935       5.900796  201.3073       9.292521  204.3004       7.638492  924.0323 21.37849 931.2513 17.43699 -7.219055      27.58783 
1 1 1 -19 9  3  o 1124.370 16.32599 297.7730       8.634920  287.0488       11.10006  314.2093       13.74183  1103.368 21.38630 1153.815 25.31855 -50.44763      33.14216 
1 1 1 -19 9  4  o 698.1733 13.28475 114.7614       4.363007  106.3415       5.529104  128.6564       7.102787  671.8291 17.49551 738.7327 20.43959 -66.90363      26.90483 
1 1 1 -19 9  5  o 616.1971 14.04284 89.40861       4.070466  95.15532       6.001318  84.51249       5.539403  635.3094 20.08131 598.7562 19.66725 36.55316       28.10800 
1 1 1 -19 9  6  o 646.2191 14.02109 98.33834       4.262172  93.75641       5.757413  103.8942       6.339834  630.6365 19.40792 663.7842 20.30400 -33.14771      28.08772 
1 1 1 -19 9  7  o 450.4478 13.53253 47.77983       2.867431  47.53314       3.687857  48.15696       4.559859  449.1064 17.45643 451.8161 21.45460 -2.709625      27.65912 
1 1 1 -19 9  8  o 474.1876 12.58217 52.94392       2.806565  52.32736       3.369765  54.34008       5.070821  471.2997 15.19963 479.8239 22.46607 -8.524170      27.12477 
1 1 1 -19 9  9  o 1338.295 16.47853 422.1073       10.37384  421.2877       12.52276  423.9001       18.52015  1336.371 19.92066 1338.174 29.42136 -1.803223      35.53096 
1 1 1 -19 9  10 o 565.2955 11.80474 75.24568       3.139072  76.12030       3.757653  73.22554       5.710818  568.4374 14.05286 556.8974 21.79987 11.53998       25.93679 
1 1 1 -19 9  11 o 606.6996 17.55352 86.81217       5.009647  89.56600       5.770733  78.38883       10.09263  616.0046 19.91488 572.4932 37.68772 43.51135       42.62590 
1 1 1 -19 9  12 o 1291.233 22.75140 394.1688       13.81917  0.000000       0.000000  394.1688       13.81917  ?        ?        1291.233 22.75140 0.000000       22.75140 
1 1 1 -19 9  13 o 512.2338 12.22167 61.81678       2.944884  65.61744       3.752420  55.72236       4.751697  527.5104 15.12207 485.5549 20.80372 41.95547       25.71909 
1 1 1 -19 9  14 o 507.2197 12.22914 60.62837       2.917840  62.78733       3.811059  57.57017       4.535823  515.8465 15.70565 493.5181 19.53816 22.32843       25.06805 
1 1 1 -19 9  15 o 477.3155 19.17258 53.88780       4.304824  0.000000       0.000000  53.88780       4.304824  ?        ?        477.3155 19.17258 0.000000       19.17258 
1 1 1 -19 9  16 o 94.97121 31.78456 2.041343       1.670447  2.334336       2.550759  1.821330       2.210371  107.4745 39.04210 97.77527 36.20869 9.699234       53.24805 
1 1 1 -19 9  17 o 380.6749 13.79612 34.22674       2.470475  34.16278       3.652725  34.28067       3.353927  378.8087 20.57595 380.3029 18.74799 -1.494110      27.83625 
1 1 1 -19 9  18 o 423.2062 13.79306 42.33746       2.745882  42.36194       4.001231  42.31567       3.775150  422.1308 20.15010 422.1469 19.01084 -0.1608276E-01 27.70268 
1 1 1 -19 9  19 o 383.5356 15.32006 34.85394       2.763984  39.15279       3.981770  30.85612       3.839821  404.6801 20.98885 358.5616 22.88493 46.11844       31.05241 
1 1 1 -19 9  20 o 193.0634 34.37308 9.392573       3.007248  10.29475       3.358995  5.749109       6.750279  201.4335 36.80565 161.9575 62.51646 39.47595       72.54629 
1 1 1 -19 9  21 o 257.9163 19.17737 15.98540       2.310042  16.44612       3.767666  15.70788       2.924150  256.9971 31.84780 253.8590 24.80403 3.138062       40.36734 
1 1 1 -19 9  22 o 280.7416 18.48342 18.94865       2.427294  14.87187       3.862450  21.60956       3.120466  241.7736 34.97783 298.4152 22.39275 -56.64156      41.53172 
1 1 1 -19 9  23 o 76.18121 31.98407 0.4054953      1.937793  3.830739       3.656327  -0.9323813     2.285112  126.6756 46.63250 71.06853 32.10052 55.60707       56.61302 
1 1 1 -19 9  24 o 289.2470 19.45322 20.28651       2.631465  20.53635       4.455519  20.15267       3.260967  282.5037 34.22627 285.8127 24.49125 -3.309021      42.08632 
1 1 1 -19 9  25 o 122.8354 35.27203 4.012346       2.145326  2.639811       3.716712  4.698117       2.627160  114.4590 45.71687 131.7199 39.36743 -17.26095      60.33097 
1 1 1 -19 9  26 o 132.5735 35.01674 4.742131       2.216254  1.380354       3.598813  6.795985       2.812934  102.8935 43.41322 157.3122 38.35818 -54.41873      57.93150 
1 1 1 -19 9  27 o 402.2585 23.91128 40.35666       4.504203  41.84396       5.286114  36.41499       8.605528  405.5347 27.87953 343.9102 55.05096 61.62451       61.70799 
1 1 1 -19 9  28 o 63.33185 30.01933 -2.238607      2.395346  -6.240394      3.762439  0.4889117      3.106178  68.05713 33.48471 89.44070 39.05593 -21.38358      51.44503 
1 1 1 -19 9  29 o 323.6738 24.58948 26.78405       3.715926  16.49524       7.070041  30.71106       4.367878  201.7591 65.28990 343.6244 27.24535 -141.8652      70.74660 
1 1 1 -19 9  30 o 96.80411 40.13173 2.050854       2.994924  5.674792       6.349374  1.013841       3.396508  128.6304 56.01289 92.18015 40.53043 36.45023       69.13870 
1 1 1 -19 9  31 o 94.15150 41.49332 1.552582       3.578769  6.293104       5.590440  -1.739001      4.658384  125.7271 53.62022 86.52436 41.25479 39.20275       67.65417 
1 1 1 -19 9  32 o 101.6123 43.11562 3.238168       3.581925  0.6287159      5.210258  5.576695       4.932371  94.19911 44.53873 115.9970 49.93773 -21.79786      66.91394 
1 1 1 -19 11 1  o 877.2114 13.54491 181.1757       5.589199  168.0823       8.503002  191.1370       7.416557  844.2613 21.41046 900.6898 17.50483 -56.42847      27.65550 
1 1 1 -19 11 2  o 813.4337 12.94101 155.7778       4.951762  150.6325       8.168931  158.7665       6.226007  799.1816 21.72953 820.9800 16.12158 -21.79840      27.05694 
1 1 1 -19 11 3  o 560.9620 12.56622 74.08253       3.315945  73.12057       5.519724  74.62573       4.147831  556.8326 21.07286 562.8679 15.66554 -6.035217      26.25784 
1 1 1 -19 11 4  f 869.3308 15.45706 178.0131       6.320935  182.4823       9.183201  173.9893       8.713580  879.4856 22.19709 858.8486 21.56804 20.63702       30.94982 
1 1 1 -19 11 5  o 469.8375 15.29279 51.99868       3.379898  46.50586       5.099513  56.30202       4.513712  443.1277 24.56023 488.6530 19.63650 -45.52530      31.44514 
1 1 1 -19 11 6  o 1221.754 14.40954 351.5778       8.281385  345.0633       9.628532  370.0952       16.23337  1210.058 16.91549 1251.159 27.58207 -41.10144      32.35590 
1 1 1 -19 11 7  o 879.4559 12.23149 182.1119       5.060142  180.2122       5.891357  187.4554       9.880626  874.6812 14.31846 890.9550 23.57541 -16.27380      27.58294 
1 1 1 -19 11 8  o 863.1607 11.91789 175.4293       4.839053  175.9117       5.621265  174.0488       9.509544  864.1816 13.82801 858.3831 23.55099 5.798584       27.31050 
1 1 1 -19 11 9  o 1065.226 14.57334 267.3623       7.302478  267.6971       8.689658  266.5577       13.47266  1065.498 17.33728 1061.321 26.98593 4.177002       32.07525 
1 1 1 -19 11 10 f 303.6845 15.41104 21.79462       2.194312  21.52286       2.226973  30.85613       12.85960  301.7486 15.74375 345.5974 80.58507 -43.84879      82.10858 
1 1 1 -19 11 11 o 379.4806 12.95961 33.92882       2.313401  34.18462       2.598242  32.95028       5.081782  380.8254 14.50389 371.5257 29.31574 9.299744       32.70742 
1 1 1 -19 11 12 o 299.1138 15.16830 21.15344       2.127254  21.54079       2.387175  19.65958       4.687942  301.6606 16.89060 284.8676 35.77295 16.79300       39.56004 
1 1 1 -19 11 13 o 479.4447 12.91075 54.18571       2.911785  57.33089       3.438619  46.21512       5.474012  492.9879 14.82786 440.4227 26.54612 52.56522       30.40661 
1 1 1 -19 11 14 o 88.37550 33.14531 1.404328       1.863759  1.193330       2.158320  2.022960       3.695668  89.99832 35.17954 116.7952 45.92154 -26.79689      57.84797 
1 1 1 -19 11 15 f 460.1607 20.33967 50.18513       4.402737  0.000000       0.000000  50.18513       4.402737  ?        ?        460.1607 20.33967 0.000000       20.33967 
1 1 1 -19 11 16 o 267.6889 18.05245 17.04938       2.259913  14.10897       2.993690  20.94495       3.445784  241.6220 26.79004 295.3811 25.03465 -53.75908      36.66661 
1 1 1 -19 11 17 o 212.1323 21.20869 10.81012       2.088000  10.80772       2.988096  10.81241       2.918875  209.6081 31.26117 209.8825 30.45369 -0.2743988     43.64273 
1 1 1 -19 11 18 o 555.1625 16.44870 73.08898       4.295571  82.28300       7.521378  68.63853       5.232948  584.8389 27.33958 536.7041 20.72727 48.13483       34.30849 
1 1 1 -19 11 19 o 224.7706 19.51804 12.13202       2.043205  9.715996       3.095668  13.99690       2.719750  196.4642 34.76895 240.2340 24.40608 -43.76982      42.47984 
1 1 1 -19 11 20 o 286.7635 26.06191 20.04498       3.477215  24.39646       3.952598  5.148633       7.313136  316.2572 26.82166 159.5770 63.98965 156.6802       69.38354 
1 1 1 -19 11 21 o 361.4250 15.77401 31.10301       2.681819  26.05587       4.073815  34.96313       3.562697  326.1017 26.79392 381.3254 19.93080 -55.22369      33.39387 
1 1 1 -19 11 22 o 109.8601 36.43473 2.978500       2.196177  -0.4785970     5.829335  3.550359       2.370870  116.6073 52.07943 118.2201 37.76176 -1.612724      64.32898 
1 1 1 -19 11 23 o 117.8015 33.50630 3.605819       1.945028  2.928788       3.588997  3.887350       2.314364  117.6060 45.53217 122.0491 37.05671 -4.443047      58.70586 
1 1 1 -19 11 24 o 182.3150 26.95454 8.376488       2.241967  9.557076       4.776017  8.042808       2.539109  180.5323 52.85754 176.3961 31.76852 4.136185       61.66975 
1 1 1 -19 11 25 o 208.8002 26.10355 10.95639       2.507871  10.36842       3.943909  11.35553       3.249446  192.0849 44.51777 207.9873 34.41621 -15.90237      56.26995 
1 1 1 -19 11 26 o 406.9525 16.65717 39.94274       3.188704  32.74763       4.727349  45.94920       4.319251  359.4100 28.18736 433.1634 21.19763 -73.75339      35.26850 
1 1 1 -19 11 27 o 299.8783 20.02735 22.12974       2.808879  19.57367       4.503349  23.75736       3.593575  268.7407 36.57313 306.9601 25.10691 -38.21945      44.36159 
1 1 1 -19 11 28 o 433.8707 31.60518 49.87601       6.406070  52.14032       8.664765  47.14626       9.513733  421.8806 44.32407 383.6812 54.22290 38.19949       70.03390 
1 1 1 -19 11 29 o 160.5865 39.41538 7.657094       2.955340  8.445304       6.532876  7.454285       3.313809  147.2690 59.96634 154.5042 43.66151 -7.235107      74.17741 
1 1 1 -19 11 30 o 228.6643 31.36585 14.52102       3.284945  10.17539       6.095878  16.29938       3.899587  152.3439 59.24025 236.7902 36.15587 -84.44621      69.40212 
1 1 1 -19 13 1  o 780.6284 13.27363 143.4913       4.874198  137.9567       8.264206  146.4436       6.035770  764.5517 22.97867 788.3908 16.27503 -23.83911      28.15841 
1 1 1 -19 13 2  o 912.9733 13.42632 196.2800       5.766129  180.6575       8.790276  208.0795       7.639385  875.0852 21.35418 939.6450 17.28325 -64.55975      27.47201 
1 1 1 -19 13 3  o 373.5059 14.43387 32.85906       2.536001  25.04171       4.480454  36.54411       3.076195  323.9760 29.73120 393.8023 16.60605 -69.82629      34.05444 
1 1 1 -19 13 4  o 721.9171 13.42038 122.7361       4.557445  119.6846       5.913515  127.1998       7.152088  712.5530 17.64246 734.2761 20.70638 -21.72308      27.20314 
1 1 1 -19 13 5  o 1573.003 32.23280 586.5042       23.85047  0.000000       0.000000  586.5042       23.85047  ?        ?        1573.003 32.23280 0.000000       32.23280 
1 1 1 -19 13 6  o 569.4611 12.57929 76.36830       3.369685  73.36057       4.071567  82.90726       6.003379  557.9519 15.51299 592.6219 21.53519 -34.67004      26.54086 
1 1 1 -19 13 7  o 860.0159 12.36669 174.1875       5.002984  174.8709       5.902479  172.4435       9.428487  861.4846 14.56524 854.2581 23.46300 7.226501       27.61628 
1 1 1 -19 13 8  o 633.7953 11.48619 94.59425       3.424479  95.31027       3.905290  92.21166       7.123855  636.0772 13.05191 624.4539 24.25188 11.62335       27.54099 
1 1 1 -19 13 9  o 733.2902 12.93877 126.6850       4.463117  126.9476       5.200912  125.9513       8.693022  733.8294 15.06660 729.4205 25.33515 4.408875       29.47663 
1 1 1 -19 13 10 o 713.3015 14.32343 119.9465       4.806062  119.9465       4.806062  0.000000       0.000000  713.3015 14.32343 ?        ?        0.000000       14.32343 
1 1 1 -19 13 11 o 901.8681 13.12230 191.7234       5.567012  196.4219       6.830023  182.4235       9.609077  912.3831 15.91387 877.6680 23.27460 34.71515       28.19500 
1 1 1 -19 13 12 o 484.1675 14.07105 55.29487       3.204730  55.29487       3.204730  0.000000       0.000000  484.1675 14.07105 ?        ?        0.000000       14.07105 
1 1 1 -19 13 13 o 169.5599 23.18566 6.946357       1.800861  7.173161       1.964867  5.755388       4.502544  171.9953 25.01891 156.2685 52.18356 15.72675       57.87114 
1 1 1 -19 13 14 o 821.2505 22.92996 160.2557       8.858257  160.2557       8.858257  0.000000       0.000000  821.2505 22.92996 ?        ?        0.000000       22.92996 
1 1 1 -19 13 15 o 223.1399 21.89947 11.94794       2.269068  10.35279       2.624315  16.67246       4.516417  206.2578 27.75241 259.5246 38.13231 -53.26683      47.16216 
1 1 1 -19 13 16 o 109.0535 38.07252 2.633429       2.402561  3.222355       3.721388  2.212519       3.146080  126.2297 46.93528 111.5586 42.77859 14.67104       63.50534 
1 1 1 -19 13 17 o 1038.406 14.14274 255.1632       6.908283  277.1809       10.03329  235.3155       9.526013  1079.164 19.76454 993.9642 20.37376 85.19940       28.38533 
1 1 1 -19 13 18 o 205.9328 22.12204 10.25751       2.109399  9.182498       2.942180  11.39453       3.025860  191.1897 33.95811 214.5445 30.87109 -23.35481      45.89312 
1 1 1 -19 13 19 o 365.7727 15.14666 31.76537       2.606138  30.43528       3.788120  32.96067       3.591043  355.2535 22.78835 370.5463 20.68452 -15.29276      30.77594 
1 1 1 -19 13 20 o 488.9883 13.94055 56.76088       3.206622  56.96578       4.905478  56.60800       4.237251  486.8324 21.42065 486.6245 18.51062 0.2078552      28.31055 
1 1 1 -19 13 21 o 160.2389 52.10197 6.988698       4.499221  3.406659       5.677112  13.03805       7.377627  136.8227 55.82812 207.7910 66.63802 -70.96831      86.93333 
1 1 1 -19 13 22 o 314.8513 17.31090 23.81199       2.554014  20.16450       4.128798  26.07279       3.250550  282.8557 31.56906 327.8315 21.19177 -44.97580      38.02232 
1 1 1 -19 13 23 o 366.8973 16.35608 32.23483       2.822884  24.69429       4.249466  38.19046       3.776567  314.0374 29.09686 396.9839 20.29123 -82.94653      35.47339 
1 1 1 -19 13 24 o 105.0180 34.91562 2.771569       2.016401  5.465611       3.444579  1.367123       2.487062  140.9248 45.56928 92.47099 37.23310 48.45380       58.84610 
1 1 1 -19 13 25 o 160.9008 34.69682 6.911772       2.548882  12.28002       7.248612  6.154338       2.722767  189.9818 66.14150 149.8813 38.43493 40.10045       76.49799 
1 1 1 -19 13 26 o 102.5678 37.61430 2.541565       2.375664  1.189655       5.065768  2.922711       2.689785  112.5280 49.48707 108.6693 39.99784 3.858704       63.63017 
1 1 1 -19 13 27 o 186.8249 31.87660 9.316072       2.700883  7.892391       6.566371  9.605987       2.963149  152.7504 60.84367 187.6800 34.84629 -34.92967      70.11574 
1 1 1 -19 13 28 o 107.8747 46.80338 1.979203       4.400909  1.906956       6.035349  2.061237       6.431139  116.0841 52.32524 118.4658 53.64914 -2.381737      74.94105 
1 1 1 -19 13 29 o 203.0075 33.76138 11.57584       3.110816  8.258027       6.435401  12.58749       3.553576  143.2051 59.05083 207.7728 37.74909 -64.56772      70.08562 
1 1 1 -19 13 30 o 154.1711 44.58606 8.042539       3.416970  1.709869       5.300841  12.54459       4.469476  104.0293 47.71782 187.3041 49.84905 -83.27484      69.00665 
1 1 1 -19 13 31 o 215.7175 39.99047 14.97960       3.908564  2.890012       5.491704  27.39001       5.564095  104.5905 48.19413 288.0052 42.33319 -183.4148      64.14650 
1 1 1 -19 15 1  o 641.2828 14.76222 96.89291       4.453185  77.88348       10.88799  100.7116       4.880017  570.2585 40.85966 653.7095 15.86965 -83.45099      43.83329 
1 1 1 -19 15 2  o 462.1306 14.99783 50.32288       3.260336  33.62069       7.821970  53.83482       3.586767  372.2955 45.61862 477.9266 15.95411 -105.6311      48.32796 
1 1 1 -19 15 3  f 311.7968 16.08581 22.97620       2.351265  16.01093       4.237047  26.07558       2.826389  257.0888 36.02486 332.0098 18.16609 -74.92099      40.34597 
1 1 1 -19 15 4  o 635.7060 15.96773 95.26359       4.774950  86.11158       6.739405  104.4887       6.766273  603.5806 23.73652 665.1532 21.62512 -61.57257      32.11025 
1 1 1 -19 15 5  o 353.1589 15.33029 29.39885       2.546772  29.54238       3.375869  29.20928       3.879852  353.1390 20.40919 350.7050 23.65644 2.434052       31.24360 
1 1 1 -19 15 6  o 403.2266 14.27740 38.31952       2.708117  38.71359       3.285984  37.48514       4.781423  405.1061 17.24358 397.0909 25.73609 8.015198       30.97882 
1 1 1 -19 15 7  o 657.7116 12.25868 101.9092       3.792700  99.44053       4.365197  109.5125       7.660841  649.5083 14.28729 680.2594 23.94047 -30.75110      27.87961 
1 1 1 -19 15 8  o 468.6825 12.33022 51.75792       2.718435  49.88073       3.042622  59.18550       6.052270  459.9808 14.06174 499.0099 25.87217 -39.02908      29.44659 
1 1 1 -19 15 9  o 249.6412 19.03613 14.81210       2.218596  14.81210       2.218596  0.000000       0.000000  249.6412 19.03613 ?        ?        0.000000       19.03613 
1 1 1 -19 15 10 o 689.0193 12.72451 111.9260       4.124220  112.9681       4.654134  108.1154       8.899628  692.0047 14.29751 674.1132 28.06530 17.89148       31.49730 
1 1 1 -19 15 11 o 101.1449 28.58436 2.503022       1.420279  3.026319       1.488842  -2.789239      4.734731  110.6226 28.45040 99.76459 45.51066 10.85806       53.67164 
1 1 1 -19 15 12 o 341.4115 13.83588 27.51338       2.222052  27.42368       2.433822  27.96262       5.446402  340.7305 15.18478 339.3928 34.59822 1.337708       37.78379 
1 1 1 -19 15 13 o 49.11857 23.66750 -2.478376      1.626546  -2.362271      1.730990  -3.354330      4.754543  52.11486 24.93091 97.01440 44.75257 -44.89954      51.22834 
1 1 1 -19 15 14 o 113.4885 32.61313 3.181020       1.833441  3.208032       1.970738  3.007169       4.999585  114.3601 34.07763 135.4138 53.35762 -21.05373      63.31131 
1 1 1 -19 15 15 f 560.9383 14.19630 74.41612       3.745930  81.29309       4.475365  58.32489       6.845809  585.7866 16.24126 491.1959 29.76840 94.59070       33.91071 
1 1 1 -19 15 16 o 249.2150 27.70338 15.12902       3.192740  23.39180       4.288103  4.850179       4.782714  309.7685 29.79542 146.7345 53.43687 163.0340       61.18224 
1 1 1 -19 15 17 o 120.9074 36.37172 3.653976       2.237168  3.734643       2.530262  3.365042       4.788705  122.9952 38.98125 134.1461 52.41097 -11.15095      65.31805 
1 1 1 -19 15 18 o 265.1678 19.26155 16.87490       2.386195  19.95545       3.234206  13.19470       3.534999  286.8944 24.19061 229.4320 33.76378 57.46239       41.53527 
1 1 1 -19 15 19 o 92.46176 34.93772 1.644421       2.079109  4.660299       2.952569  -1.321861      2.928192  134.7216 42.02666 79.74449 36.14934 54.97707       55.43478 
1 1 1 -19 15 20 o 141.6744 45.75394 5.242634       3.473380  6.786564       4.096488  1.293698       6.551458  158.5425 49.51031 131.7026 57.12331 26.83986       75.59328 
1 1 1 -19 15 21 o 263.5287 28.44621 17.26768       3.470397  14.47699       3.818125  30.52913       8.323181  237.6920 35.21336 329.5854 55.66776 -91.89336      65.87018 
1 1 1 -19 15 22 o 280.2902 18.60234 18.96183       2.438769  15.04031       3.744339  21.85110       3.213973  242.4422 33.74718 299.0010 23.02795 -56.55888      40.85534 
1 1 1 -19 15 23 o 276.0948 19.08803 18.47096       2.463849  20.18885       4.097053  17.49772       3.083781  281.9283 31.42812 265.9557 24.94063 15.97269       40.12184 
1 1 1 -19 15 24 o 158.3448 30.44482 6.502377       2.185339  3.731133       3.809572  7.861570       2.667961  124.1260 47.19846 172.6566 34.05927 -48.53056      58.20419 
1 1 1 -19 15 25 o 186.7415 28.65731 8.968637       2.436960  10.87991       5.049822  8.388398       2.782395  187.2427 54.21714 177.1511 34.63037 10.09163       64.33321 
1 1 1 -19 15 26 o 132.0384 36.36760 4.834368       2.330765  6.633496       3.961739  3.882036       2.882366  147.8829 48.93035 119.2711 41.69776 28.61178       64.28750 
1 1 1 -19 15 27 o 164.3577 34.26963 7.454962       2.563700  9.857313       6.020651  6.922890       2.833416  164.3056 59.93685 154.9588 38.92277 9.346832       71.46613 
1 1 1 -19 15 28 o 200.1271 30.80511 10.86304       2.806988  14.89299       5.980940  9.724650       3.178824  198.4356 59.41977 182.8144 38.19592 15.62125       70.63736 
1 1 1 -19 15 29 o 129.5282 55.15556 6.293104       5.898525  6.293104       5.898525  0.000000       0.000000  129.5282 55.15556 ?        ?        0.000000       55.15556 
1 1 1 -19 15 30 o 133.9529 46.52451 6.597550       3.585473  0.1892093      5.412690  11.60821       4.786164  96.51537 45.56119 168.7313 53.62707 -72.21590      70.36821 
1 1 1 -19 17 1  o 886.3685 13.88658 185.1667       5.790004  185.1850       9.990901  185.1575       7.104713  884.6027 24.00972 885.8839 17.04906 -1.281189      29.44719 
1 1 1 -19 17 2  o 873.4586 14.95648 179.8823       6.145270  185.4935       13.03330  178.2782       6.968507  883.3109 31.36689 869.2380 17.04244 14.07281       35.69771 
1 1 1 -19 17 3  o 568.9400 14.40107 76.31224       3.854168  90.45779       8.656734  72.81505       4.304312  617.0500 29.82390 555.5496 16.47068 61.50043       34.06976 
1 1 1 -19 17 4  o 1130.975 17.72038 301.9706       9.427473  281.0211       11.94964  336.5042       15.34224  1089.557 23.31501 1190.820 27.38882 -101.2629      35.96856 
1 1 1 -19 17 5  o 148.5540 30.86217 5.443055       2.086190  8.479506       2.629539  0.2854638      3.427046  186.3286 31.09663 100.1854 42.32265 86.14318       52.51864 
1 1 1 -19 17 6  o 717.5842 16.39215 121.5492       5.533220  113.7723       7.209089  132.6992       8.632057  693.2273 22.10728 748.1075 24.52906 -54.88025      33.02131 
1 1 1 -19 17 7  o 668.0937 12.69851 105.2267       3.990795  103.9866       4.603521  108.9774       8.005914  663.8766 14.74122 677.6033 25.11690 -13.72668      29.12323 
1 1 1 -19 17 8  o 397.4647 13.55602 37.26421       2.534546  36.20279       2.780541  42.47919       6.163270  391.6277 15.09338 420.6163 31.37561 -28.98862      34.81723 
1 1 1 -19 17 9  o 841.8358 13.92240 167.2420       5.513288  167.5955       6.337412  166.1415       11.18032  842.2759 15.99515 834.6414 28.47640 7.634521       32.66114 
1 1 1 -19 17 10 o 84.22198 40.47832 -6.584424      4.682703  0.000000       0.000000  -6.584424      4.682703  ?        ?        84.22198 40.47832 0.000000       40.47832 
1 1 1 -19 17 11 f 713.6545 13.22075 120.2287       4.438267  125.6140       5.062717  102.3484       9.224950  729.1337 14.76071 653.5050 30.00861 75.62866       33.44241 
1 1 1 -19 17 12 o 621.1354 14.11901 91.16606       4.125342  88.44504       4.578261  102.9132       9.512630  611.4109 15.91835 654.2048 30.91133 -42.79382      34.76929 
1 1 1 -19 17 13 o 617.7578 16.43153 90.39217       4.774913  100.4459       6.301733  76.83832       7.316905  649.9012 20.61310 566.0089 27.48115 83.89233       34.35278 
1 1 1 -19 17 14 o 353.2354 16.18946 29.57315       2.690085  29.33732       2.903219  31.00476       7.152956  351.5883 17.55400 350.8104 44.33534 0.7779236      47.68401 
1 1 1 -19 17 15 o 205.0179 23.95593 10.20168       2.266766  12.46513       2.516989  0.4856257      5.214832  226.8852 23.94507 119.7445 51.44593 107.1408       56.74549 
1 1 1 -19 17 16 o 259.2509 21.70444 16.19116       2.622550  17.67925       2.766452  2.993460       8.238698  270.9236 21.89448 155.3427 65.62204 115.5809       69.17818 
1 1 1 -19 17 17 o 458.6247 19.69187 50.27008       4.248286  56.74792       5.884589  43.21889       6.139482  483.8230 25.95060 419.1362 31.36660 64.68680       40.70992 
1 1 1 -19 17 18 o 215.3128 25.16304 11.35977       2.500531  11.75656       2.953104  10.35456       4.700278  217.4582 29.64134 194.9508 50.75688 22.50740       58.77814 
1 1 1 -19 17 19 o 204.5506 27.02429 10.35902       2.536638  13.23540       3.206877  5.551101       4.146076  230.2147 30.35293 146.6709 50.06984 83.54381       58.55159 
1 1 1 -19 17 20 o 246.9643 25.94670 15.02006       2.969231  19.45601       5.370507  13.06715       3.563380  271.4436 43.53089 226.3039 34.57033 45.13969       55.58818 
1 1 1 -19 17 21 o 323.0249 17.93827 25.09267       2.715022  20.33635       3.651133  30.97586       4.060679  286.4608 27.43065 355.7917 24.41001 -69.33093      36.71906 
1 1 1 -19 17 22 f 88.30817 38.26673 0.1465536      2.934656  1.999044       3.277967  -7.333532      6.586882  106.8202 42.83872 98.39160 47.46269 8.428619       63.93640 
1 1 1 -19 17 23 o 146.7185 35.17780 5.732662       2.396410  5.471704       3.751148  5.912604       3.114917  140.9992 47.62797 146.3374 42.64188 -5.338165      63.92772 
1 1 1 -19 17 24 o 427.5518 26.51466 45.76418       5.306360  45.76418       5.306360  0.000000       0.000000  427.5518 26.51466 ?        ?        0.000000       26.51466 
1 1 1 -19 17 25 o 174.1159 29.18143 7.892343       2.305518  10.98879       3.982469  6.331468       2.827514  194.9291 44.42133 149.9437 39.52675 44.98540       59.46107 
1 1 1 -19 17 26 o 206.9452 31.98191 11.44085       3.012975  0.000000       0.000000  11.44085       3.012975  ?        ?        206.9452 31.98191 0.000000       31.98191 
1 1 1 -19 17 27 o 205.2109 31.11112 11.36904       2.909038  6.322831       5.716125  13.13280       3.379399  137.2415 56.01167 218.1402 34.04519 -80.89861      65.54679 
1 1 1 -19 17 28 o 165.8416 60.28659 11.65279       6.083486  11.65279       6.083486  0.000000       0.000000  165.8416 60.28659 ?        ?        0.000000       60.28659 
1 1 1 -19 19 1  o 424.1679 15.47715 42.46350       3.088148  40.89401       5.509412  43.18251       3.729020  413.6089 28.49069 427.4226 18.54675 -13.81372      33.99561 
1 1 1 -19 19 2  o 691.4364 13.31264 112.7408       4.329979  115.4614       7.160017  111.1721       5.436806  698.1961 21.80054 686.0699 16.84636 12.12616       27.55111 
1 1 1 -19 19 3  o 346.1986 18.67304 28.42093       3.029706  26.51308       6.846134  28.88557       3.378549  327.7359 45.64628 348.7056 20.68943 -20.96967      50.11622 
1 1 1 -19 19 4  o 287.8112 23.75561 19.78789       3.187459  0.000000       0.000000  19.78789       3.187459  ?        ?        287.8112 23.75561 0.000000       23.75561 
1 1 1 -19 19 5  o 455.2072 15.87959 48.94220       3.400304  45.88177       4.172410  54.99406       5.867329  440.1818 20.15049 480.1415 26.07555 -39.95969      32.95416 
1 1 1 -19 19 6  o 835.3967 17.08804 164.9930       6.715127  160.9420       8.863177  170.4519       10.28872  823.3986 22.88284 846.3051 25.84431 -22.90643      34.51888 
1 1 1 -19 19 7  o 467.9664 13.85470 51.69398       3.049869  49.83637       3.419589  58.91796       6.743486  459.2281 15.82982 495.7574 29.04325 -36.52933      33.07709 
1 1 1 -19 19 8  o 298.6086 22.63615 21.30797       3.155965  21.30797       3.155965  0.000000       0.000000  298.6086 22.63615 ?        ?        0.000000       22.63615 
1 1 1 -19 19 9  o 265.4507 17.10858 16.74762       2.124947  16.56505       2.308858  17.75862       5.433172  263.7209 18.73346 265.7127 45.07943 -1.991760      48.81697 
1 1 1 -19 19 10 o 369.4716 13.99049 32.25740       2.431551  32.53570       2.640850  30.70749       6.232133  370.9148 15.13562 353.4224 38.08811 17.49240       40.98525 
1 1 1 -19 19 11 o 199.3076 19.29646 9.519646       1.786483  8.728424       1.875080  17.30381       5.881341  190.3681 21.30427 259.1824 50.05158 -68.81430      54.39700 
1 1 1 -19 19 12 o 393.7613 15.15625 36.70868       2.807334  38.38289       3.095886  28.96255       6.659201  402.4233 16.35432 339.9318 42.57896 62.49146       45.61175 
1 1 1 -19 19 13 o 528.4952 12.25489 66.00652       3.046630  67.01176       3.274959  59.54222       8.304846  532.3289 13.07846 491.8862 36.14516 40.44263       38.43851 
1 1 1 -19 19 14 o 522.8915 12.75191 64.67288       3.136579  68.62454       3.405076  42.53865       8.058780  538.4603 13.44323 410.8734 42.30030 127.5869       44.38508 
1 1 1 -19 19 15 o 235.9655 20.68212 13.40666       2.272522  13.53774       2.505874  12.79956       5.392875  236.5424 22.80311 217.9034 53.09867 18.63902       57.78798 
1 1 1 -19 19 16 o 145.3496 31.65438 5.359486       2.102986  4.908475       2.269683  8.095911       5.590670  138.3829 34.87865 174.2507 58.14821 -35.86778      67.80659 
1 1 1 -19 19 17 o 392.0494 21.99712 37.04666       4.040341  40.54697       5.159063  31.49452       6.497525  407.7285 27.05227 351.7238 39.98194 56.00467       48.27402 
1 1 1 -19 19 18 o 279.1048 20.93211 18.81061       2.728193  20.10026       3.175580  15.17640       5.330790  287.5379 23.68867 236.9805 49.42030 50.55745       54.80437 
1 1 1 -19 19 19 o 160.5943 41.10585 6.847867       3.118390  9.179549       4.154143  3.837718       4.719987  183.3886 47.70276 134.1409 52.13723 49.24765       70.66714 
1 1 1 -19 19 20 o 191.6014 30.40573 9.286918       2.648931  9.702336       3.239802  8.449170       4.600784  192.8735 37.05550 173.4453 52.15527 19.42821       63.97877 
1 1 1 -19 19 21 o 201.7734 27.72702 10.21421       2.562145  7.372493       3.401735  13.93977       3.894986  164.1573 43.39399 231.1182 37.08006 -66.96088      57.07862 
1 1 1 -19 19 22 o 310.9298 28.19165 24.23775       4.078536  24.23775       4.078536  0.000000       0.000000  310.9298 28.19165 ?        ?        0.000000       28.19165 
1 1 1 -19 19 23 o 71.91501 32.26647 -0.6375956     2.265128  -1.167859      3.272533  -0.1499025     3.138423  83.31844 37.94151 87.72488 38.74880 -4.406441      54.23124 
1 1 1 -19 19 24 o 378.6470 17.97549 34.78438       3.201728  35.33751       4.679471  34.29752       4.390213  373.9968 26.77580 369.7022 25.39842 4.294647       36.90560 
1 1 1 -19 19 25 o 170.2344 36.36811 8.039265       2.823865  6.189061       5.804816  8.612864       3.232085  141.8565 56.96551 173.3527 40.38541 -31.49619      69.82872 
1 1 1 -19 19 26 o 303.6749 27.22412 23.95024       3.847654  0.000000       0.000000  23.95024       3.847654  ?        ?        303.6749 27.22412 0.000000       27.22412 
1 1 1 -19 19 27 o 259.7142 26.90691 17.77354       3.239532  19.75624       6.520852  17.12385       3.732749  228.3785 59.94140 248.8483 32.67786 -20.46980      68.27016 
1 1 1 -19 21 1  o 447.1485 16.93554 47.27888       3.562215  54.04281       10.11710  46.32167       3.805936  467.9135 46.58361 442.4027 18.28834 25.51077       50.04494 
1 1 1 -19 21 2  o 92.43751 35.22097 1.464947       2.124138  -0.5141715     3.912304  2.292219       2.529420  100.7319 43.91332 106.7191 38.86153 -5.987206      58.63956 
1 1 1 -19 21 3  o 480.8031 16.10031 54.64970       3.641419  52.02141       7.480041  55.46605       4.168753  463.6806 34.54153 484.0201 18.30937 -20.33954      39.09412 
1 1 1 -19 21 4  o 185.1863 27.71197 8.364144       2.339847  7.054103       3.892359  9.105426       2.927938  167.0244 47.36164 191.9198 33.65927 -24.89548      58.10397 
1 1 1 -19 21 5  o 648.3993 15.80507 99.41222       4.820681  95.30898       5.938283  107.3425       8.255442  633.8874 19.91496 670.6677 26.16759 -36.78027      32.88386 
1 1 1 -19 21 6  o 150.7293 33.26004 5.680732       2.295034  5.685160       2.614771  5.665874       4.789545  150.2584 37.19299 155.6269 53.78782 -5.368484      65.39455 
1 1 1 -19 21 7  o 138.1202 57.84356 1.644174       6.312260  1.644174       6.312260  0.000000       0.000000  138.1202 57.84356 ?        ?        0.000000       57.84356 
1 1 1 -19 21 8  o 106.8017 33.99173 2.723577       1.922425  4.852633       2.059287  -11.71522      5.362766  139.1545 32.11195 78.74991 38.97333 60.40462       50.49849 
1 1 1 -19 21 9  o 248.4340 18.00785 14.71900       2.090180  15.14257       2.253326  12.10761       5.594983  251.7726 19.16999 214.2342 55.18165 37.53847       58.41663 
1 1 1 -19 21 10 o 93.80814 30.69894 2.056717       1.561047  2.099964       1.638280  1.630202       5.144882  95.11992 31.46477 126.5296 52.53917 -31.40966      61.24048 
1 1 1 -19 21 11 o 217.0243 18.32921 11.27120       1.853702  12.76344       1.987571  1.299643       5.137875  231.0129 18.44391 124.0503 52.08073 106.9627       55.25016 
1 1 1 -19 21 12 o 264.3470 20.51421 16.76315       2.530951  18.29667       2.810134  10.17539       5.824404  275.8951 21.83109 194.6710 58.71500 81.22412       62.64221 
1 1 1 -19 21 13 o 109.1190 29.76326 2.983887       1.570026  2.688726       1.621968  7.372177       6.254033  104.2421 30.88202 171.7518 61.29264 -67.50973      68.63299 
1 1 1 -19 21 14 o 101.7449 31.53546 2.531658       1.665478  2.695824       1.739803  0.7324614      5.759671  104.7152 32.19442 125.3234 53.95811 -20.60824      62.83279 
1 1 1 -19 21 15 o 225.2490 21.11167 12.25094       2.210845  12.25094       2.210845  0.000000       0.000000  225.2490 21.11167 ?        ?        0.000000       21.11167 
1 1 1 -19 21 16 o 254.9196 20.42350 15.65898       2.428513  15.37170       2.681380  16.97023       5.728585  251.7920 22.88846 251.7120 50.14215 0.7998657E-01  55.11912 
1 1 1 -19 21 17 o 278.6940 20.25718 18.71922       2.637519  18.82842       2.967012  18.30785       5.758672  278.6108 22.83951 261.6229 48.58111 16.98795       53.68209 
1 1 1 -19 21 18 o 324.9794 24.44961 25.75130       3.710248  29.93460       4.779837  19.40973       5.885067  347.8004 29.49342 268.4389 48.38534 79.36142       56.66571 
1 1 1 -19 21 19 o 217.5042 26.53587 11.73166       2.658715  10.27214       3.040763  16.46975       5.478707  200.3642 33.44078 244.8180 49.27916 -44.45381      59.55436 
1 1 1 -19 21 20 f 176.3349 34.14700 8.082497       2.730098  7.420803       3.251124  9.665074       5.027907  165.4104 41.77319 182.4472 54.44599 -17.03683      68.62482 
1 1 1 -19 21 21 o 289.6411 22.74322 20.59503       3.073798  24.24914       4.090276  15.85398       4.659067  310.9932 28.26842 241.7206 42.52754 69.27260       51.06559 
1 1 1 -19 21 22 o 170.3127 35.64049 7.763414       2.763669  11.30419       3.715084  3.375999       4.135460  203.3428 40.26373 122.2701 48.41670 81.07280       62.97099 
1 1 1 -19 21 23 o 296.7365 26.97945 22.30857       3.724793  26.69906       4.524870  13.07967       6.560309  321.9391 30.23294 194.8853 62.87421 127.0538       69.76530 
1 1 1 -19 21 24 o 127.8561 39.09380 4.630770       2.569422  -0.5084286     3.756927  9.147016       3.521874  90.63472 41.02877 177.0742 42.76369 -86.43951      59.26292 
1 1 1 -19 21 25 o 238.2581 30.49084 15.11122       3.338934  9.860286       5.564758  18.06509       4.173724  164.7786 57.91913 255.5383 35.69603 -90.75974      68.03552 
1 1 1 -19 23 1  o 125.9407 37.08936 3.920063       2.345464  -5.417479      4.543631  7.312150       2.738548  86.01465 40.93763 170.9516 35.22654 -84.93694      54.00739 
1 1 1 -19 23 2  o 439.8826 15.42212 45.76512       3.191172  43.34262       5.126589  47.29756       4.077446  425.2318 25.75051 446.4612 19.41490 -21.22940      32.24945 
1 1 1 -19 23 3  o 131.3433 39.40008 4.267377       2.627937  9.506540       5.397208  2.639305       3.008673  191.4981 56.22472 114.6646 42.28767 76.83345       70.35244 
1 1 1 -19 23 4  o 228.3371 24.44158 12.57988       2.584504  15.01784       4.151268  11.03679       3.302650  246.0893 37.00622 211.0399 34.45746 35.04945       50.56458 
1 1 1 -19 23 5  o 173.1392 32.22269 7.454058       2.527800  4.988665       2.985625  13.69501       4.750261  141.1878 41.91524 231.8170 45.18525 -90.62914      61.63273 
1 1 1 -19 23 6  o 406.4005 33.04796 40.21998       6.263112  0.000000       0.000000  40.21998       6.263112  ?        ?        406.4005 33.04796 0.000000       33.04796 
1 1 1 -19 23 7  o 407.8755 18.06569 39.48532       3.466184  39.48532       3.466184  0.000000       0.000000  407.8755 18.06569 ?        ?        0.000000       18.06569 
1 1 1 -19 23 8  o 283.2122 17.62490 19.10775       2.336412  18.63742       2.558860  21.46552       5.729187  279.2706 19.60254 291.7076 43.04531 -12.43695      47.29861 
1 1 1 -19 23 9  o 66.06670 28.58442 -0.1548494     1.632387  0.8944530      1.735301  -8.222355      4.811651  79.47329 31.39703 80.20100 39.12327 -0.7277145     50.16377 
1 1 1 -19 23 10 f 483.6851 13.32863 55.33855       3.032618  57.61917       3.346328  44.85732       7.173768  493.3135 14.42036 426.5786 36.08873 66.73492       38.86313 
1 1 1 -19 23 11 o 481.1629 17.11531 54.99166       3.873881  59.09632       4.538011  43.96552       7.437695  498.1136 19.36724 420.7633 37.98744 77.35034       42.63960 
1 1 1 -19 23 12 o 187.9697 19.74292 8.514595       1.719616  9.413239       1.808185  0.9860286E-02  5.562619  197.7474 19.70076 120.1421 52.36909 77.60530       55.95213 
1 1 1 -19 23 13 f 569.4548 12.36690 76.71626       3.312755  77.14598       3.549303  73.81094       9.228812  570.8114 13.21847 545.7194 36.15549 25.09204       38.49607 
1 1 1 -19 23 14 o 72.57245 30.52310 0.2594363      1.769898  0.2594363      1.769898  0.000000       0.000000  72.57245 30.52310 ?        ?        0.000000       30.52310 
1 1 1 -19 23 15 o 466.3314 16.41489 51.76208       3.600825  54.59562       4.007660  39.89299       8.202279  478.4236 17.80775 392.4458 45.26065 85.97778       48.63787 
1 1 1 -19 23 16 o 164.4091 28.56307 6.776845       2.128862  6.776845       2.128862  0.000000       0.000000  164.4091 28.56307 ?        ?        0.000000       28.56307 
1 1 1 -19 23 17 o 301.2638 17.79515 21.78109       2.510650  21.27304       2.668026  25.71047       7.419889  297.2395 19.18398 305.2915 53.62365 -8.052032      56.95192 
1 1 1 -19 23 18 o 171.4638 50.42756 8.211679       4.338365  0.000000       0.000000  8.211679       4.338365  ?        ?        171.4638 50.42756 0.000000       50.42756 
1 1 1 -19 23 19 o 219.4373 32.28336 12.31045       3.232812  20.16052       4.836193  5.969151       4.346661  277.8858 37.99237 148.1194 51.23795 129.7664       63.78674 
1 1 1 -19 23 20 o 186.7725 33.25518 9.087309       2.814639  11.08635       3.616654  6.016971       4.482179  203.1404 39.26859 147.1054 51.95341 56.03497       65.12434 
1 1 1 -19 23 21 o 175.0740 39.87981 8.437725       3.210925  6.970801       3.661368  13.32343       6.681946  155.5962 46.46804 200.2101 63.33545 -44.61389      78.55354 
1 1 1 -19 23 22 o 103.1909 40.17381 2.328097       2.805948  6.238757       3.775008  -2.499932      4.194476  145.5119 47.74494 87.10638 40.80093 58.40555       62.80363 
1 1 1 -19 23 23 o 243.8387 32.14278 15.77484       3.596991  12.89737       4.276649  22.73187       6.649820  209.3995 44.77320 267.4543 54.70032 -58.05487      70.68780 
1 1 1 -19 25 1  o 404.7141 17.37058 38.81721       3.306983  48.78223       6.088842  34.64783       3.938508  449.8306 28.92849 380.8643 22.07797 68.96625       36.39086 
1 1 1 -19 25 2  o 374.7770 18.23887 33.31769       3.215437  29.84321       5.029035  35.72021       4.181892  350.7189 30.79467 386.4044 23.11311 -35.68552      38.50361 
1 1 1 -19 25 3  o 216.0615 29.17259 11.41265       2.889172  8.840667       6.143592  12.14299       3.273774  186.0190 60.90258 222.0831 32.28278 -36.06413      68.92969 
1 1 1 -19 25 4  o 74.38204 32.73111 -0.5115988     2.218997  1.959896       3.322716  -2.501221      2.981252  111.0035 43.57521 75.05989 34.90562 35.94362       55.83191 
1 1 1 -19 25 5  o 159.9825 36.48022 6.474779       2.684457  7.706323       3.190083  3.486921       4.968863  173.9769 39.83795 137.9534 53.52881 36.02348       66.72628 
1 1 1 -19 25 6  f 84.70708 35.45974 0.4166695      2.370770  1.768700       2.581864  -6.851963      5.986410  100.8028 38.72968 98.29376 46.83897 2.509056       60.77728 
1 1 1 -19 25 7  o 205.2691 23.69846 10.20328       2.246249  10.21291       2.486344  10.16052       5.239355  204.6597 26.44468 195.9804 54.73150 8.679230       60.78534 
1 1 1 -19 25 8  o 211.1880 22.29823 10.76577       2.181686  12.19132       2.397418  3.897147       5.262457  224.7001 23.00586 142.3622 55.12980 82.33791       59.73746 
1 1 1 -19 25 9  o 123.4178 30.30750 3.832935       1.746678  3.928863       1.834786  2.905470       5.705057  124.8567 31.29923 138.5297 56.17596 -13.67301      64.30692 
1 1 1 -19 25 10 o 469.4608 13.48530 52.16588       2.978032  54.15285       3.237984  41.26041       7.585796  478.1071 14.39727 405.8596 40.26484 72.24750       42.76142 
1 1 1 -19 25 11 o 473.7319 13.45167 53.13945       2.997631  56.63176       3.261725  34.15577       7.604689  488.8684 14.18359 365.3177 45.21887 123.5508       47.39114 
1 1 1 -19 25 12 o 72.41630 28.84607 0.7028254      1.475991  0.6583142      1.521158  1.419144       6.102290  72.64972 29.16571 131.5936 56.06917 -58.94386      63.20119 
1 1 1 -19 25 13 o 268.5994 16.37154 17.22575       2.058665  17.55555       2.164038  14.08442       6.678688  270.9955 17.06305 222.9848 61.62124 48.01077       63.94001 
1 1 1 -19 25 14 o 93.21047 32.54798 1.958833       1.755940  1.958833       1.755940  0.000000       0.000000  93.21047 32.54798 ?        ?        0.000000       32.54798 
1 1 1 -19 25 15 o 109.6298 34.63907 2.995335       1.999138  2.304977       2.126082  8.263972       5.873436  100.9128 35.76631 173.2382 59.58155 -72.32543      69.49237 
1 1 1 -19 25 16 o 326.4096 17.37042 25.55364       2.657521  24.72253       2.857133  30.88585       7.236945  320.4187 19.04148 340.3169 46.41735 -19.89816      50.17119 
1 1 1 -19 25 17 o 126.1634 40.36210 4.136469       2.707829  3.326579       3.067223  6.997622       5.765049  118.3318 42.83910 160.0262 58.60891 -41.69439      72.59608 
1 1 1 -19 25 18 o 333.4655 19.48007 26.93232       3.042410  29.73613       3.428967  16.55767       6.595922  349.6714 20.94295 233.5570 59.78353 116.1144       63.34570 
1 1 1 -19 25 19 o 392.2302 20.80040 37.50869       3.824080  38.33356       4.539750  35.49346       7.095778  393.7635 24.63295 362.2298 42.44829 31.53372       49.07789 
1 1 1 -19 25 20 o 112.3584 43.63668 2.849579       3.304355  3.017610       4.016963  2.497919       5.811182  118.1663 47.41053 125.5223 54.12078 -7.356033      71.95010 
1 1 1 -19 27 1  o 287.6603 22.05531 19.83874       2.961708  16.53075       4.757973  21.93131       3.784245  256.4677 40.80556 301.1624 26.99884 -44.69476      48.92884 
1 1 1 -19 27 2  o 146.3949 40.23241 5.443946       2.856168  6.435791       5.818408  5.129067       3.278338  165.1602 59.10038 143.2180 44.22022 21.94221       73.81248 
1 1 1 -19 27 3  o 560.4451 15.10113 74.37033       3.981180  66.63593       5.674003  81.87063       5.587473  528.2507 22.83390 586.4733 20.25340 -58.22260      30.52191 
1 1 1 -19 27 4  o 159.8823 31.74662 6.395808       2.303423  7.757930       2.996383  4.427943       3.601528  174.8635 37.54897 136.6256 46.66591 38.23796       59.89685 
1 1 1 -19 27 5  o 105.5465 36.98388 2.472817       2.268122  2.269458       2.532630  3.296671       5.097585  105.5440 38.81718 136.8641 53.89428 -31.32005      66.41813 
1 1 1 -19 27 6  o 166.6536 36.73722 7.061941       2.802443  7.061941       2.802443  0.000000       0.000000  166.6536 36.73722 ?        ?        0.000000       36.73722 
1 1 1 -19 27 7  o 339.8324 39.95295 28.95957       6.264879  0.000000       0.000000  28.95957       6.264879  ?        ?        339.8324 39.95295 0.000000       39.95295 
1 1 1 -19 27 8  o 257.3037 19.99226 15.88556       2.400788  14.74783       2.624297  21.72414       5.944937  247.1117 22.83440 290.9348 44.88310 -43.82307      50.35775 
1 1 1 -19 27 9  o 157.1457 26.44585 6.111572       1.885496  6.358697       2.022997  4.476814       5.203118  159.9509 27.90154 144.8233 55.13780 15.12761       61.79541 
1 1 1 -19 27 10 o 271.3701 20.36785 17.70502       2.581053  19.25929       2.848577  10.57670       6.100401  282.7245 21.58184 195.7006 60.30458 87.02383       64.05012 
1 1 1 -19 27 11 f 461.0640 12.88691 50.35935       2.794984  50.87689       3.009765  47.11653       7.533953  463.1802 13.81380 433.3582 37.32189 29.82196       39.79629 
1 1 1 -19 27 12 o 446.0938 14.27172 47.25138       2.994828  50.60307       3.316855  32.46136       6.967534  461.3239 15.28450 354.8611 42.59075 106.4628       45.25028 
1 1 1 -19 27 13 o 209.3047 24.84750 10.76029       2.398633  10.76029       2.398633  0.000000       0.000000  209.3047 24.84750 ?        ?        0.000000       24.84750 
1 1 1 -19 27 14 f 186.6117 28.70065 8.733255       2.438702  6.415210       2.659179  20.99882       6.116884  156.5508 36.74075 278.6242 48.42827 -122.0734      60.78799 
1 1 1 -19 27 15 o 106.9197 37.49326 2.711504       2.331239  3.451295       2.590314  -0.4417361     5.347811  117.4715 39.57871 111.9159 49.94050 5.555687       63.72227 
1 1 1 -19 27 16 o 237.5097 24.46645 13.92900       2.694394  15.06423       3.027257  9.601665       5.910398  246.0677 26.57520 179.2071 59.78714 66.86057       65.42739 
1 1 1 -19 27 17 o 80.12943 34.86877 0.8055295E-03  2.457096  1.978551       2.805866  -6.504162      5.088671  101.6647 40.00024 85.03769 41.19365 16.62698       57.41895 
1 1 1 -19 29 1  o 179.6515 31.58069 8.049865       2.571422  5.178833       3.684643  10.77572       3.590272  144.3521 47.16061 206.1410 38.43896 -61.78896      60.84140 
1 1 1 -19 29 2  o 157.3168 38.73672 6.346093       2.847547  4.494649       5.224626  7.128474       3.396324  145.9563 55.32772 165.8755 43.12572 -19.91917      70.14973 
1 1 1 -19 29 3  f 208.6001 26.03672 10.62554       2.499246  7.734133       3.652595  13.17098       3.427107  172.2611 44.69266 230.4249 32.52175 -58.16379      55.27294 
1 1 1 -19 29 4  o 200.4118 27.14374 9.857579       2.493109  9.139890       2.862333  12.11356       5.074802  190.9875 33.05687 213.2620 51.22816 -22.27454      60.96787 
1 1 1 -19 29 5  o 172.2112 29.97447 7.395762       2.339982  9.433150       2.662122  0.4726516      4.907290  194.9941 29.98289 115.9201 49.85729 79.07400       58.17838 
1 1 1 -19 29 6  o 85.23962 35.96517 0.3666463      2.469959  1.487339       2.833379  -3.180737      5.040985  100.1726 39.94639 99.33090 45.91212 0.8416519      60.85751 
1 1 1 -19 29 7  o 110.5469 38.04401 2.848056       2.394826  1.745677       2.718772  6.664685       5.058798  101.1998 39.50430 161.2054 55.30389 -60.00556      67.96404 
1 1 1 -19 29 8  o 110.0373 35.80297 2.947115       2.124417  2.817490       2.395541  3.424495       4.597188  109.9997 38.03860 131.9507 51.40773 -21.95106      63.95069 
1 1 1 -19 29 9  o 168.4728 25.41827 7.011563       1.951739  8.306455       2.170270  1.535672       4.462976  183.5065 25.85861 116.9227 48.77367 66.58380       55.20452 
1 1 1 -19 29 10 o 146.9534 28.80309 5.448284       1.919889  5.417675       2.100742  5.603449       4.729765  145.7093 31.56206 149.2995 53.30016 -3.590225      61.94410 
1 1 1 -19 29 11 o 118.8288 33.19828 3.621188       1.927284  4.215738       2.112235  0.6652795      4.709707  127.7317 34.39015 112.9271 48.70621 14.80454       59.62363 
1 1 1 -19 29 12 o 270.6998 20.03725 17.71686       2.533374  24.32429       3.005238  1.490785       4.709442  317.3228 20.23850 117.3005 49.58632 200.0223       53.55745 
1 1 1 -19 29 13 o 152.9743 43.15311 6.334255       3.240045  5.095125       4.191125  8.174792       5.107924  140.6380 50.17714 169.5410 55.53363 -28.90297      74.84470 
1 1 1 -19 31 1  o 183.7782 51.03127 9.081451       4.568531  9.081451       4.568531  0.000000       0.000000  183.7782 51.03127 ?        ?        0.000000       51.03127 
1 1 1 -19 31 2  o 187.3956 40.83108 9.125299       3.497545  8.522593       4.885015  9.759216       5.009898  177.7500 53.80809 189.4074 53.74046 -11.65738      76.04832 
1 1 1 -19 31 3  o 191.1359 28.94026 9.076513       2.520619  10.59278       3.640248  7.679904       3.493657  202.5962 39.61662 170.7737 43.39954 31.82259       58.76220 
1 1 1 -19 31 4  o 342.3554 18.61041 28.06751       2.985848  22.88343       3.333913  49.07849       6.711842  307.4653 23.22224 445.6853 32.23169 -138.2201      39.72599 
1 1 1 -19 31 5  o 153.1510 38.22125 6.101647       2.744780  6.101647       2.744780  0.000000       0.000000  153.1510 38.22125 ?        ?        0.000000       38.22125 
1 1 1 -18 0  1  o 590.6565 20.10098 82.43918       5.570318  82.43918       5.570318  82.43918       5.570318  590.6565 20.10098 590.6565 20.10098 0.000000       0.000000 
1 1 1 -18 0  2  o 1209.780 20.87876 344.9779       11.87377  344.9779       11.87377  344.9779       11.87377  1209.780 20.87876 1209.780 20.87876 0.000000       0.000000 
1 1 1 -18 0  3  o 1045.992 19.21530 257.8582       9.447439  257.8582       9.447439  257.8582       9.447439  1045.992 19.21530 1045.992 19.21530 0.000000       0.000000 
1 1 1 -18 0  4  o 163.9033 47.07949 7.723061       3.147499  7.723061       3.147499  7.723061       3.147499  163.9033 47.07949 163.9033 47.07949 0.000000       0.000000 
1 1 1 -18 0  5  o 302.5921 22.24018 21.90778       3.126359  21.90778       3.126359  21.90778       3.126359  302.5921 22.24018 302.5921 22.24018 0.000000       0.000000 
1 1 1 -18 0  6  o 549.5417 16.29908 71.26000       4.205015  71.26000       4.205015  71.26000       4.205015  549.5417 16.29908 549.5417 16.29908 0.000000       0.000000 
1 1 1 -18 0  7  o 761.0233 16.02100 136.4750       5.729574  136.4750       5.729574  136.4750       5.729574  761.0233 16.02100 761.0233 16.02100 0.000000       0.000000 
1 1 1 -18 0  8  o 411.2280 15.28907 39.95851       2.948280  39.95851       2.948280  39.95851       2.948280  411.2280 15.28907 411.2280 15.28907 0.000000       0.000000 
1 1 1 -18 0  9  o 442.4525 19.36938 46.34364       4.013782  46.34364       4.013782  46.34364       4.013782  442.4525 19.36938 442.4525 19.36938 0.000000       0.000000 
1 1 1 -18 0  10 f 1080.154 17.68970 274.8182       8.982821  274.8182       8.982821  274.8182       8.982821  1080.154 17.68970 1080.154 17.68970 0.000000       0.000000 
1 1 1 -18 0  11 o 447.9580 14.90203 47.37656       3.132287  47.37656       3.132287  47.37656       3.132287  447.9580 14.90203 447.9580 14.90203 0.000000       0.000000 
1 1 1 -18 0  12 o 1610.118 23.12311 610.9036       17.50538  610.9036       17.50538  610.9036       17.50538  1610.118 23.12311 1610.118 23.12311 0.000000       0.000000 
1 1 1 -18 0  13 o 69.82287 39.33543 1.525387       1.968018  1.525387       1.968018  1.525387       1.968018  69.82287 39.33543 69.82287 39.33543 0.000000       0.000000 
1 1 1 -18 0  14 o 561.9114 20.41408 74.64329       5.379782  74.64329       5.379782  74.64329       5.379782  561.9114 20.41408 561.9114 20.41408 0.000000       0.000000 
1 1 1 -18 0  15 o 247.3147 25.28409 14.85929       2.871031  14.85929       2.871031  14.85929       2.871031  247.3147 25.28409 247.3147 25.28409 0.000000       0.000000 
1 1 1 -18 0  16 o 528.0126 17.68692 65.86535       4.381876  65.86535       4.381876  65.86535       4.381876  528.0126 17.68692 528.0126 17.68692 0.000000       0.000000 
1 1 1 -18 0  17 o 79.80421 45.92007 1.898455       2.761638  1.898455       2.761638  1.898455       2.761638  79.80421 45.92007 79.80421 45.92007 0.000000       0.000000 
1 1 1 -18 0  18 o 281.4065 25.59885 19.13942       3.324152  19.13942       3.324152  19.13942       3.324152  281.4065 25.59885 281.4065 25.59885 0.000000       0.000000 
1 1 1 -18 0  19 o 46.39651 32.71170 -3.326066      2.837125  -3.326066      2.837125  -3.326066      2.837125  46.39651 32.71170 46.39651 32.71170 0.000000       0.000000 
1 1 1 -18 0  20 o 206.4223 35.65643 10.94951       3.152427  10.94951       3.152427  10.94951       3.152427  206.4223 35.65643 206.4223 35.65643 0.000000       0.000000 
1 1 1 -18 0  21 o 689.4700 19.68727 112.4453       6.373359  112.4453       6.373359  112.4453       6.373359  689.4700 19.68727 689.4700 19.68727 0.000000       0.000000 
1 1 1 -18 0  22 o 443.5732 25.88023 47.05708       5.358039  47.05708       5.358039  47.05708       5.358039  443.5732 25.88023 443.5732 25.88023 0.000000       0.000000 
1 1 1 -18 0  23 o 233.1097 33.66279 13.71045       3.467532  13.71045       3.467532  13.71045       3.467532  233.1097 33.66279 233.1097 33.66279 0.000000       0.000000 
1 1 1 -18 0  24 o 67.10607 43.48291 -0.2933146E-01 3.250417  -0.2933146E-01 3.250417  -0.2933146E-01 3.250417  67.10607 43.48291 67.10607 43.48291 0.000000       0.000000 
1 1 1 -18 0  25 o 88.24211 51.45781 2.391966       3.540217  2.391966       3.540217  2.391966       3.540217  88.24211 51.45781 88.24211 51.45781 0.000000       0.000000 
1 1 1 -18 0  26 o 145.9782 66.97183 7.809156       5.028797  7.809156       5.028797  7.809156       5.028797  145.9782 66.97183 145.9782 66.97183 0.000000       0.000000 
1 1 1 -18 0  27 f 310.9578 33.16237 24.01068       4.711899  24.01068       4.711899  24.01068       4.711899  310.9578 33.16237 310.9578 33.16237 0.000000       0.000000 
1 1 1 -18 0  28 o 74.61089 47.42144 0.6831737      3.635475  0.6831737      3.635475  0.6831737      3.635475  74.61089 47.42144 74.61089 47.42144 0.000000       0.000000 
1 1 1 -18 0  29 o 103.0939 55.66755 3.925405       3.759778  3.925405       3.759778  3.925405       3.759778  103.0939 55.66755 103.0939 55.66755 0.000000       0.000000 
1 1 1 -18 0  30 o 101.0885 55.93010 3.766334       3.893106  3.766334       3.893106  3.766334       3.893106  101.0885 55.93010 101.0885 55.93010 0.000000       0.000000 
1 1 1 -18 0  31 o 233.5998 44.89670 14.87618       4.406861  14.87618       4.406861  14.87618       4.406861  233.5998 44.89670 233.5998 44.89670 0.000000       0.000000 
1 1 1 -18 0  32 o 88.09243 57.98129 0.3775268      6.112409  0.3775268      6.112409  0.3775268      6.112409  88.09243 57.98129 88.09243 57.98129 0.000000       0.000000 
1 1 1 -18 0  33 o 410.3229 46.51315 44.91677       8.680185  44.91677       8.680185  44.91677       8.680185  410.3229 46.51315 410.3229 46.51315 0.000000       0.000000 
1 1 1 -18 2  1  o 955.4387 15.81258 215.0804       7.106812  218.7277       11.98589  213.1028       8.825567  961.9968 26.48666 950.5751 19.73726 11.42163       33.03184 
1 1 1 -18 2  2  o 836.3460 13.34008 164.7200       5.248241  173.4047       7.998181  158.1531       6.954951  857.4724 19.82904 819.0862 18.05074 38.38611       26.81455 
1 1 1 -18 2  3  o 210.8475 24.56404 10.63914       2.390670  11.92319       2.997524  8.394769       3.962951  222.6216 29.33840 184.0592 45.92138 38.56245       54.49326 
1 1 1 -18 2  4  o 500.2584 15.65276 58.95427       3.683448  53.72152       5.272837  63.94174       5.147778  477.0688 23.49601 520.6589 21.01828 -43.59018      31.52507 
1 1 1 -18 2  5  f 317.2601 14.56526 23.70492       2.173717  22.31694       3.176264  24.92765       2.981200  306.7772 22.15930 324.5779 19.61772 -17.80072      29.59543 
1 1 1 -18 2  6  o 809.9726 17.04121 154.5702       6.492921  154.5702       6.492921  0.000000       0.000000  809.9726 17.04121 ?        ?        0.000000       17.04121 
1 1 1 -18 2  7  o 459.3488 10.84058 49.66137       2.342418  47.83428       3.140374  51.95282       3.516863  450.6874 14.81278 469.6430 15.91909 -18.95554      21.74479 
1 1 1 -18 2  8  o 462.3702 10.58458 50.31485       2.302145  53.97609       3.147643  46.10370       3.375763  478.7838 13.97580 442.4078 16.22108 36.37601       21.41137 
1 1 1 -18 2  9  o 835.5673 15.09072 164.4276       5.931445  169.5303       8.455048  159.4828       8.323167  847.8899 21.19861 822.3479 21.51611 25.54199       30.20470 
1 1 1 -18 2  10 o 346.6526 12.86093 28.29187       2.097182  25.29798       2.431830  36.97979       4.142604  327.7157 15.77490 395.2941 22.37014 -67.57843      27.37281 
1 1 1 -18 2  11 o 343.3838 11.74809 27.75800       1.897652  28.60123       2.576219  26.75776       2.805829  348.4372 15.71770 336.4778 17.79023 11.95941       23.73896 
1 1 1 -18 2  12 o 698.7018 10.74215 114.9153       3.530632  120.1562       5.100693  110.0945       4.891979  714.1662 15.18310 683.6087 15.21275 30.55750       21.49312 
1 1 1 -18 2  13 f 88.84217 30.26614 1.720894       1.514922  -1.367411      2.091837  5.127111       2.196867  66.32626 30.25424 144.1914 33.09019 -77.86516      44.83614 
1 1 1 -18 2  14 o 925.5286 12.31247 201.7400       5.360487  210.0335       7.817387  194.3793       7.364604  943.7111 17.60975 907.9120 17.24393 35.79907       24.64663 
1 1 1 -18 2  15 o 443.0920 12.72730 46.25075       2.652769  50.12058       3.947912  43.06519       3.581901  460.8728 18.21030 427.2341 17.82290 33.63867       25.48079 
1 1 1 -18 2  16 o 457.1383 12.95234 49.24461       2.785256  47.78612       3.958673  50.67439       3.919513  449.8549 18.70716 463.3198 17.98382 -13.46484      25.94948 
1 1 1 -18 2  17 o 466.2994 13.29903 51.26107       2.917118  50.20731       4.221087  52.22445       4.035991  460.8649 19.47070 470.1748 18.24826 -9.309906      26.68534 
1 1 1 -18 2  18 o 368.2677 18.08636 32.06528       3.133170  45.86802       7.616138  29.25346       3.437523  435.2086 37.57045 350.8309 20.92470 84.37762       43.00444 
1 1 1 -18 2  19 o 445.5749 17.88616 46.99158       3.748928  48.10921       4.310292  43.51962       7.597046  450.4270 20.34291 422.3443 38.66843 28.08267       43.69303 
1 1 1 -18 2  20 o 242.8318 23.37313 14.17918       2.636902  13.62961       4.049251  14.58385       3.474638  233.8962 38.11571 244.3589 30.92009 -10.46266      49.08013 
1 1 1 -18 2  21 o 563.3725 21.06281 75.65602       5.581890  0.000000       0.000000  75.65602       5.581890  ?        ?        563.3725 21.06281 0.000000       21.06281 
1 1 1 -18 2  22 o 415.6605 16.31117 41.03768       3.189284  40.78383       4.676334  41.25844       4.360834  411.2686 24.27955 414.3961 22.45477 -3.127502      33.07134 
1 1 1 -18 2  23 o 97.50213 36.34618 1.915803       2.234438  4.797613       3.413767  -0.2442120     2.955490  137.7054 45.41371 87.27927 38.10486 50.42611       59.28225 
1 1 1 -18 2  24 o 78.28790 33.71413 0.4875474E-01  2.249553  -0.9958789     3.444578  0.8256319      2.970504  88.60773 39.77064 94.87582 39.70232 -6.268097      56.19588 
1 1 1 -18 2  25 o 279.7579 26.37863 19.38856       3.430411  15.07134       7.720940  20.45039       3.829103  216.9718 68.00624 285.9853 28.85782 -69.01355      73.87572 
1 1 1 -18 2  26 o 278.3448 29.74459 19.62173       3.834278  22.72493       4.469875  10.97800       7.460028  297.7972 32.43285 183.8909 66.77321 113.9063       74.23309 
1 1 1 -18 2  27 o 347.5195 20.27418 29.50207       3.299911  28.91548       4.812831  30.02249       4.533264  336.0753 30.78562 344.7132 28.20353 -8.637878      41.75157 
1 1 1 -18 2  28 o 101.6441 39.73496 2.205369       2.753642  3.296039       3.766047  0.9524376      4.036478  117.9169 46.35860 103.0606 44.76923 14.85630       64.44690 
1 1 1 -18 2  29 o 228.7597 30.63374 13.75071       3.213688  12.30975       5.095154  14.70267       4.141356  195.2298 53.76967 228.7992 39.93117 -33.56938      66.97518 
1 1 1 -18 2  30 o 151.1994 39.51321 6.690487       2.841574  3.032852       4.008620  10.38475       4.028641  112.9665 46.59639 182.5920 46.71361 -69.62549      65.98019 
1 1 1 -18 2  31 o 260.1125 32.90312 18.70770       3.935906  20.90369       7.782674  17.95304       4.562344  217.4758 68.29604 245.3320 40.97890 -27.85616      79.64684 
1 1 1 -18 2  32 o 130.1552 55.88475 6.932224       6.146856  6.932224       6.146856  0.000000       0.000000  130.1552 55.88475 ?        ?        0.000000       55.88475 
1 1 1 -18 2  33 o 244.8593 45.59761 20.69962       5.058781  24.26873       7.085518  16.98870       7.224913  225.2038 63.91531 169.1667 64.83724 56.03709       91.04414 
1 1 1 -18 2  34 o 85.03666 41.59825 -1.756540      5.551575  -1.756540      5.551575  0.000000       0.000000  85.03666 41.59825 ?        ?        0.000000       41.59825 
1 1 1 -18 4  1  o 1028.947 13.45114 249.2846       6.510607  253.5078       13.57527  248.0231       7.419570  1035.784 27.86185 1026.171 15.37057 9.613770       31.82039 
1 1 1 -18 4  2  o 459.7126 17.77731 49.80002       3.844340  44.92804       5.005423  56.80738       6.002957  435.5932 24.52797 489.7666 26.15053 -54.17340      35.85347 
1 1 1 -18 4  3  o 368.1107 15.57463 31.91666       2.696904  29.47232       3.727549  34.60167       3.906757  352.7408 22.58316 382.4023 21.80870 -29.66153      31.39456 
1 1 1 -18 4  4  o 603.8585 12.65636 85.84432       3.595118  78.03217       4.377955  102.0214       6.299933  575.5581 16.17010 657.8188 20.35918 -82.26074      25.99940 
1 1 1 -18 4  5  o 765.2694 12.69928 137.8676       4.571543  143.6053       6.840862  133.2375       6.145218  780.6237 18.62944 752.0122 17.37173 28.61151       25.47220 
1 1 1 -18 4  6  o 693.4622 11.83877 113.1937       3.861878  106.2013       5.065252  122.9013       5.968199  671.4844 16.03599 722.2497 17.56656 -50.76526      23.78522 
1 1 1 -18 4  7  o 290.4549 12.92259 19.86080       1.765622  19.13345       2.335076  20.83182       2.697991  284.4382 17.53747 296.6656 19.44071 -12.22742      26.18213 
1 1 1 -18 4  8  o 821.0979 13.22594 158.7284       5.108468  149.1974       7.585491  166.6386       6.910520  795.5393 20.26995 841.0024 17.46804 -45.46313      26.75824 
1 1 1 -18 4  9  o 1204.961 13.48243 341.8551       7.642058  336.5743       10.24654  348.4746       11.47199  1195.098 18.22655 1215.795 20.05899 -20.69751      27.10295 
1 1 1 -18 4  10 o 746.5359 12.11210 131.1998       4.253431  133.0352       5.119753  127.1106       7.641967  751.5938 14.48093 734.0344 22.13194 17.55933       26.44844 
1 1 1 -18 4  11 o 374.8977 11.39557 33.08575       2.009640  33.48764       2.628162  32.51994       3.118437  377.0551 14.81760 371.4449 17.84733 5.610260       23.19674 
1 1 1 -18 4  12 o 937.0598 11.90297 206.7388       5.246768  204.9307       7.202913  208.7827       7.658088  932.5187 16.42031 941.1407 17.29802 -8.622009      23.85054 
1 1 1 -18 4  13 o 626.8754 15.28607 92.60147       4.507612  92.60147       4.507612  0.000000       0.000000  626.8754 15.28607 ?        ?        0.000000       15.28607 
1 1 1 -18 4  14 o 1230.201 16.09277 356.7818       9.312709  372.1760       16.41086  349.4699       11.31017  1253.561 27.83022 1216.811 19.75953 36.74976       34.13151 
1 1 1 -18 4  15 o 473.8301 13.81997 52.90926       3.080342  59.03686       5.312711  49.80611       3.780700  499.7018 22.60143 459.4555 17.49281 40.24637       28.58011 
1 1 1 -18 4  16 o 431.7896 13.02967 43.93931       2.646518  50.60303       4.016205  38.82493       3.518472  462.9117 18.44372 405.4758 18.44675 57.43585       26.08550 
1 1 1 -18 4  17 o 215.2716 20.61252 11.06283       2.061792  10.94513       3.375272  11.13290       2.604112  211.2146 35.21122 214.9732 26.30021 -3.758591      43.94919 
1 1 1 -18 4  18 o 568.8228 12.93218 76.31651       3.460334  87.22659       5.397274  68.70219       4.508957  607.1537 18.89759 539.0247 17.78272 68.12903       25.94888 
1 1 1 -18 4  19 o 387.6627 14.90249 35.51097       2.717578  36.48490       4.038730  34.70517       3.673633  391.2690 22.03288 381.9109 20.52390 9.358154       30.11109 
1 1 1 -18 4  20 o 159.6555 28.69159 6.297422       2.075595  7.269524       3.262079  5.636145       2.690483  168.8903 41.38417 149.2188 38.17474 19.67148       56.30240 
1 1 1 -18 4  21 o 289.5558 20.56038 20.08058       2.782275  19.45814       3.996686  20.66588       3.875572  281.9545 30.62614 291.3577 28.64782 -9.403168      41.93636 
1 1 1 -18 4  22 o 258.2905 20.89727 16.05396       2.517272  17.70894       3.855274  14.82401       3.323536  267.8199 31.18546 245.4339 29.37041 22.38608       42.83870 
1 1 1 -18 4  23 o 520.6614 16.90407 64.61164       4.140149  63.13913       7.027739  65.39432       5.123637  507.0889 29.59051 522.0076 20.86567 -14.91873      36.20737 
1 1 1 -18 4  24 o 209.5135 26.39921 10.87553       2.544027  7.050684       3.924869  13.64684       3.340873  160.7268 48.13624 232.8192 31.29781 -72.09239      57.41647 
1 1 1 -18 4  25 o 105.7551 37.93820 2.613529       2.399028  2.766267       3.653529  2.497755       3.180848  116.4832 45.70361 110.4998 42.84160 5.983437       62.64362 
1 1 1 -18 4  26 o 265.2838 22.54483 17.31067       2.786711  23.64381       4.437850  13.18771       3.580693  304.3846 31.44751 224.4486 35.06074 79.93591       47.09779 
1 1 1 -18 4  27 o 350.5526 20.46583 30.04522       3.360163  29.64614       4.963101  30.38295       4.565710  339.6782 31.41690 346.6843 28.24202 -7.006042      42.24493 
1 1 1 -18 4  28 o 62.81252 29.93151 -2.622806      2.444641  -2.727830      3.673328  -2.539310      3.275296  80.02822 37.70379 75.69691 35.64480 4.331314       51.88572 
1 1 1 -18 4  29 o 177.7471 35.26942 8.665030       2.844881  8.453823       4.143338  8.853413       3.913069  164.3569 49.51083 170.2470 47.21271 -5.890060      68.41317 
1 1 1 -18 4  30 o 249.2156 33.15104 16.88444       3.789929  19.26576       7.817975  16.15291       4.333125  215.4349 68.54620 236.3928 40.41941 -20.95790      79.57581 
1 1 1 -18 4  31 o 88.70406 39.40774 0.5432760      3.291919  6.352557       6.556443  -1.414832      3.806497  133.0875 57.43429 83.38871 38.99858 49.69877       69.42325 
1 1 1 -18 4  32 o 98.52111 41.37714 2.380006       3.244869  10.47562       5.964082  -1.024005      3.867356  151.1342 58.64449 83.45074 39.11699 67.68347       70.49337 
1 1 1 -18 4  33 o 101.8014 47.24212 2.343341       5.416015  2.343341       5.416015  0.000000       0.000000  101.8014 47.24212 ?        ?        0.000000       47.24212 
1 1 1 -18 4  34 o 173.6958 58.77203 16.32878       5.712008  16.32878       5.712008  0.000000       0.000000  173.6958 58.77203 ?        ?        0.000000       58.77203 
1 1 1 -18 6  1  o 874.9088 14.77915 180.2403       6.082491  184.5720       11.27787  178.4635       7.223050  884.1876 27.11522 870.3784 17.64181 13.80927       32.34917 
1 1 1 -18 6  2  o 1209.642 14.69486 344.5387       8.361643  326.4901       12.01069  361.5136       11.64795  1176.757 21.69760 1238.494 19.99339 -61.73657      29.50460 
1 1 1 -18 6  3  o 1157.632 14.97616 315.5620       8.155310  305.3840       9.684899  340.3687       15.11987  1138.508 18.08380 1200.746 26.76872 -62.23779      32.30462 
1 1 1 -18 6  4  o 881.2548 12.69626 182.8119       5.263159  181.0149       6.498845  186.2366       8.971973  876.7155 15.75826 888.7835 21.45965 -12.06805      26.62404 
1 1 1 -18 6  5  o 478.4226 12.04924 53.87537       2.711693  54.98927       3.646338  52.49703       4.056139  483.2025 16.04200 472.0322 18.26720 11.17035       24.31124 
1 1 1 -18 6  6  o 829.9669 16.51392 162.2503       6.447333  162.2503       6.447333  0.000000       0.000000  829.9669 16.51392 ?        ?        0.000000       16.51392 
1 1 1 -18 6  7  o 660.3144 13.68486 102.6548       4.250700  112.4257       6.992088  96.92672       5.353590  690.5117 21.52616 641.4069 17.74362 49.10474       27.89644 
1 1 1 -18 6  8  f 615.4196 13.16076 89.16718       3.809971  88.07967       5.705409  90.04245       5.118475  611.2763 19.84175 618.1953 17.60134 -6.918945      26.52361 
1 1 1 -18 6  9  o 728.6819 11.09143 124.9785       3.801848  126.7028       4.878651  122.3120       6.066722  733.5228 14.13894 720.4411 17.90137 13.08173       22.81159 
1 1 1 -18 6  10 o 867.9592 12.80091 177.3765       5.226481  178.2235       6.269063  175.4459       9.464381  869.8307 15.32140 862.1673 23.33627 7.663452       27.91642 
1 1 1 -18 6  11 o 488.7774 10.90166 56.23702       2.506530  58.22574       3.289847  53.48517       3.869915  497.2075 14.06594 476.3702 17.26981 20.83722       22.27323 
1 1 1 -18 6  12 o 422.7712 11.60215 42.08218       2.307348  39.24154       2.904706  46.93953       3.798337  408.1054 15.13075 446.1747 18.09753 -38.06921      23.58941 
1 1 1 -18 6  13 o 436.0010 11.99742 44.76575       2.460619  49.76178       3.408030  39.32526       3.556392  459.4830 15.76757 408.3040 18.51641 51.17902       24.32023 
1 1 1 -18 6  14 o 725.7957 11.47555 124.0552       3.917936  127.7919       5.526944  120.2808       5.554757  736.2130 15.95924 714.1859 16.53425 22.02716       22.97997 
1 1 1 -18 6  15 f 635.3641 13.59205 95.13985       4.062346  96.37338       6.817763  94.46082       5.058347  638.3170 22.70577 632.7330 16.99491 5.583984       28.36157 
1 1 1 -18 6  16 o 518.1155 12.52561 63.26478       3.052774  63.02807       4.487888  63.46863       4.164748  516.5391 18.47011 518.5047 17.07524 -1.965637      25.15370 
1 1 1 -18 6  17 f 794.2579 14.72080 148.8661       5.499993  147.6219       9.845191  149.4306       6.631251  788.0092 26.55972 795.1725 17.72821 -7.163330      31.93287 
1 1 1 -18 6  18 o 775.2546 12.82717 141.7944       4.677831  144.8961       6.927660  139.1950       6.341976  782.3079 18.82520 767.0864 17.57563 15.22156       25.75444 
1 1 1 -18 6  19 f 190.3635 23.61160 8.758631       2.068967  0.5008115      3.197720  14.70478       2.713474  97.77980 41.07112 247.3851 23.60393 -149.6053      47.37069 
1 1 1 -18 6  20 o 479.0561 21.56315 54.68199       4.859234  54.68199       4.859234  0.000000       0.000000  479.0561 21.56315 ?        ?        0.000000       21.56315 
1 1 1 -18 6  21 o 423.7726 15.11594 42.56654       3.013265  42.35113       4.562186  42.73323       4.013206  419.9099 23.18642 423.3338 20.15298 -3.423920      30.72055 
1 1 1 -18 6  22 o 358.6687 16.84068 30.60989       2.841334  26.85901       4.239000  33.66988       3.828750  331.8188 27.40290 374.0997 21.85210 -42.28094      35.04901 
1 1 1 -18 6  23 o 537.1990 15.12403 68.64362       3.821835  67.22546       5.536594  69.93442       5.282160  528.1693 22.28436 539.5334 20.81248 -11.36414      30.49184 
1 1 1 -18 6  24 o 200.2005 32.92437 10.23865       2.992829  0.9732462      6.599283  12.63766       3.358005  129.1037 56.63664 222.7899 33.04329 -93.68625      65.57109 
1 1 1 -18 6  25 o 113.1915 37.15514 3.260855       2.286045  4.082543       3.638913  2.725138       2.938233  127.9892 46.61101 110.6325 41.59262 17.35667       62.47025 
1 1 1 -18 6  26 o 392.7052 17.29888 37.12738       3.195612  34.88258       4.816013  38.89318       4.271399  373.2092 27.62885 397.9170 22.91651 -24.70779      35.89595 
1 1 1 -18 6  27 o 114.5379 46.41880 2.635963       3.892820  2.635963       3.892820  0.000000       0.000000  114.5379 46.41880 ?        ?        0.000000       46.41880 
1 1 1 -18 6  28 o 224.7341 26.54575 12.84944       2.752107  12.17093       4.226407  13.34894       3.626287  204.9970 45.05706 222.6162 35.84563 -17.61925      57.57646 
1 1 1 -18 6  29 o 135.2014 39.04195 5.232468       2.621778  0.2868143      3.791499  9.764086       3.629324  95.07033 42.26154 182.4239 42.99677 -87.35353      60.28897 
1 1 1 -18 6  30 o 115.4973 45.36299 3.649550       3.602719  0.000000       0.000000  3.649550       3.602719  ?        ?        115.4973 45.36299 0.000000       45.36299 
1 1 1 -18 6  31 o 130.2130 43.24813 5.416871       3.093946  8.011297       6.157382  4.540569       3.578511  141.3160 57.95629 120.1339 45.72931 21.18203       73.82480 
1 1 1 -18 6  32 o 125.2903 54.78952 6.376338       6.132603  6.376338       6.132603  0.000000       0.000000  125.2903 54.78952 ?        ?        0.000000       54.78952 
1 1 1 -18 6  33 f 118.4742 51.55147 6.263378       5.370032  6.263378       5.370032  0.000000       0.000000  118.4742 51.55147 ?        ?        0.000000       51.55147 
1 1 1 -18 8  1  o 784.8789 13.21358 145.0115       4.878570  135.7531       7.510567  151.7691       6.416556  758.9305 21.03785 802.7426 16.99247 -43.81201      27.04321 
1 1 1 -18 8  2  o 430.7706 13.79734 43.68450       2.795830  43.12426       4.925145  43.95087       3.396048  426.8690 24.63225 431.9900 16.71209 -5.121002      29.76645 
1 1 1 -18 8  3  o 463.4786 13.37352 50.56812       2.915713  47.37490       4.148246  53.68609       4.099076  448.3795 19.66751 477.3743 18.25398 -28.99478      26.83317 
1 1 1 -18 8  4  f 1259.974 16.74583 373.9101       9.925156  360.1397       12.28251  399.8217       16.84848  1236.046 21.12434 1301.360 27.52289 -65.31372      34.69506 
1 1 1 -18 8  5  o 366.0627 13.46208 31.54664       2.318125  30.35292       3.088996  33.08561       3.507358  358.4576 18.38118 374.1448 20.00078 -15.68716      27.16430 
1 1 1 -18 8  6  o 885.2379 12.07850 184.4579       5.029701  177.6370       5.837956  204.1023       9.907425  868.5817 14.28831 930.2747 22.64020 -61.69299      26.77190 
1 1 1 -18 8  7  o 148.9429 29.16775 5.422848       1.970457  7.063021       3.100364  4.311366       2.552226  169.1949 39.64707 133.4197 38.51863 35.77521       55.27725 
1 1 1 -18 8  8  o 311.5368 15.37547 22.85968       2.253238  22.01895       2.304220  41.23068       10.77118  305.3105 16.10094 410.9746 57.27248 -105.6641      59.49266 
1 1 1 -18 8  9  o 835.1671 11.83303 164.2003       4.648776  158.6746       5.758084  174.5445       7.878267  820.7785 14.91361 860.4169 19.46491 -39.63843      24.52139 
1 1 1 -18 8  10 o 671.8503 12.08322 106.2725       3.818779  107.5617       4.476012  102.8240       7.320715  675.7914 14.08022 659.9290 23.58235 15.86243       27.46597 
1 1 1 -18 8  11 o 985.1230 14.08302 228.5956       6.526130  237.0154       7.911852  210.6718       11.54363  1002.789 16.77256 944.0220 25.99508 58.76678       30.93643 
1 1 1 -18 8  12 o 233.8077 17.50299 12.96194       1.911076  14.60019       2.162718  7.125446       4.082129  248.0941 18.66850 170.2639 48.57992 77.83020       52.04346 
1 1 1 -18 8  13 o 111.0319 30.61368 3.014188       1.650578  2.045744       2.063884  4.732803       2.749396  99.48847 35.24164 139.1931 39.91898 -39.70467      53.24939 
1 1 1 -18 8  14 o 1138.119 13.64011 305.2565       7.302553  308.1869       10.10161  302.0486       10.56897  1142.565 18.79492 1130.883 19.86761 11.68176       27.34906 
1 1 1 -18 8  15 o 354.3239 13.71179 29.59613       2.285409  32.36700       3.361410  27.21421       3.116573  369.6138 19.40102 338.7986 19.63964 30.81528       27.60643 
1 1 1 -18 8  16 o 70.79322 31.59736 -0.8544612     2.142074  0.000000       0.000000  -0.8544612     2.142074  ?        ?        70.79322 31.59736 0.000000       31.59736 
1 1 1 -18 8  17 o 712.6210 12.38003 119.7607       4.150015  127.1144       6.161505  113.6545       5.614567  733.1180 17.86667 693.3554 17.21437 39.76263       24.81033 
1 1 1 -18 8  18 o 140.6107 27.64988 4.883416       1.763683  7.672984       3.056380  3.490808       2.159500  174.7229 38.24782 119.4131 35.69257 55.30978       52.31496 
1 1 1 -18 8  19 o 631.1592 13.22402 94.11750       3.926194  97.45135       5.941166  91.53275       5.231285  640.4844 19.71941 621.2730 17.90015 19.21136       26.63213 
1 1 1 -18 8  20 o 177.7107 25.99413 7.732412       2.108742  4.710358       3.436071  9.558341       2.670871  138.7365 45.55258 196.8783 29.76874 -58.14188      54.41705 
1 1 1 -18 8  21 o 250.7876 20.15259 15.10908       2.357347  14.57423       3.897465  15.41762       2.960203  241.1572 35.41151 251.8536 25.32996 -10.69641      43.53828 
1 1 1 -18 8  22 o 152.8581 30.85201 5.912809       2.141940  7.020582       3.679088  5.344808       2.634448  162.6227 46.02224 143.5489 38.30327 19.07385       59.87643 
1 1 1 -18 8  23 o 84.05735 34.96400 0.6284755      2.284173  2.147444       6.019728  0.3729881      2.468808  132.0663 55.95773 84.47660 35.81693 47.58973       66.43884 
1 1 1 -18 8  24 o 107.9919 37.50524 2.806004       2.330040  4.197384       4.815550  2.380681       2.662457  135.6850 52.68320 105.4775 39.60475 30.20752       65.90945 
1 1 1 -18 8  25 o 231.0885 23.94412 13.19669       2.565066  13.13619       4.193921  13.23285       3.242177  220.2806 42.00700 227.8003 31.06618 -7.519730      52.24648 
1 1 1 -18 8  26 o 273.1480 24.30684 18.50060       3.090534  14.44462       4.351775  22.62783       4.389823  230.0180 41.75732 297.0036 31.92171 -66.98563      52.56110 
1 1 1 -18 8  27 o 255.6550 23.98044 16.28564       2.850203  10.61971       4.222037  21.02985       3.863391  190.9163 47.26388 287.2234 28.99100 -96.30716      55.44684 
1 1 1 -18 8  28 o 84.42900 35.64964 0.7463635      2.429713  1.773094       3.963132  0.1280457      3.075503  107.0742 45.38796 87.53858 38.52680 19.53559       59.53471 
1 1 1 -18 8  29 o 140.8920 42.20853 5.872419       3.017402  -5.118906      6.510439  8.879318       3.405216  97.27498 46.98886 173.8806 42.08474 -76.60559      63.07993 
1 1 1 -18 8  30 o 127.7330 43.15175 4.986460       3.079196  14.80678       6.330832  1.943423       3.524128  194.7418 61.65359 101.1323 42.83094 93.60941       75.07100 
1 1 1 -18 8  31 o 200.0327 37.09890 11.76021       3.362315  16.43579       6.753768  10.21952       3.876908  192.1021 63.90202 175.4472 46.30052 16.65491       78.91265 
1 1 1 -18 8  32 o 189.3606 46.55112 12.47920       4.117364  10.71344       6.087085  13.96849       5.590254  147.6464 58.65337 177.8390 58.08893 -30.19252      82.55023 
1 1 1 -18 8  33 o 206.9623 45.34767 15.37042       4.292847  8.329370       5.899067  23.29667       6.258905  125.3307 54.28206 229.5838 57.94955 -104.2531      79.40209 
1 1 1 -18 10 1  o 250.8780 19.05984 14.91499       2.232502  17.43675       4.261301  13.96099       2.620987  269.3508 34.41920 242.2047 23.29172 27.14604       41.55943 
1 1 1 -18 10 2  o 1045.086 13.67735 257.1272       6.723930  265.2670       10.81493  251.9982       8.584824  1060.754 21.67405 1034.291 17.64491 26.46289       27.94830 
1 1 1 -18 10 3  o 574.9224 13.78030 77.81789       3.726809  70.26433       5.168472  85.99882       5.378829  546.0073 20.12308 604.1281 18.92733 -58.12079      27.62575 
1 1 1 -18 10 4  o 504.3160 13.15932 59.87458       3.121803  55.95860       4.234659  64.53627       4.620298  487.3289 18.47256 523.3328 18.76821 -36.00397      26.33403 
1 1 1 -18 10 5  o 461.0775 12.39016 50.04426       2.687324  49.66489       3.492925  50.59454       4.206748  459.1900 16.17065 463.3262 19.30147 -4.136200      25.18008 
1 1 1 -18 10 6  o 430.9989 12.37894 43.72966       2.509741  44.70091       3.127782  41.97384       4.205451  435.6587 15.26233 421.3588 21.28629 14.29993       26.19246 
1 1 1 -18 10 7  o 258.9132 18.12087 15.87552       2.193087  17.20302       3.029749  14.41439       3.178587  268.8878 24.21305 245.3968 28.03906 23.49104       37.04674 
1 1 1 -18 10 8  o 576.5251 11.65200 78.24557       3.160008  85.53425       4.110139  67.70902       4.941757  602.6334 14.49887 535.8715 19.60431 66.76190       24.38331 
1 1 1 -18 10 9  o 1437.781 15.83979 487.0664       10.71300  478.9304       13.86058  499.1386       16.88380  1424.840 20.67978 1453.665 24.69087 -28.82495      32.20703 
1 1 1 -18 10 10 f 572.4944 11.67690 77.16719       3.144620  77.02909       3.691308  77.53262       6.004543  571.8690 13.72191 573.0644 22.27446 -1.195435      26.16185 
1 1 1 -18 10 11 o 826.1172 15.29279 160.8319       5.942890  160.8319       5.942890  0.000000       0.000000  826.1172 15.29279 ?        ?        0.000000       15.29279 
1 1 1 -18 10 12 o 614.1178 11.97039 88.82246       3.458035  90.20615       4.207319  85.94164       6.070792  618.6934 14.45642 603.1938 21.39534 15.49963       25.82147 
1 1 1 -18 10 13 o 282.4810 16.06305 18.87943       2.125635  19.54107       2.537090  17.32118       3.893532  287.0859 18.89243 268.2033 31.45851 18.88266       36.69553 
1 1 1 -18 10 14 o 590.9263 14.48553 82.34019       4.026587  90.21999       6.447600  77.30204       5.155567  617.4980 22.19695 572.0175 19.16010 45.48053       29.32258 
1 1 1 -18 10 15 o 421.3827 14.34387 41.88584       2.843231  42.27024       3.525964  41.17123       4.807536  422.9857 17.72078 415.8659 24.68595 7.119873       30.38786 
1 1 1 -18 10 16 o 640.4668 14.50186 96.82686       4.369076  105.6480       8.081485  93.18383       5.193480  666.4239 25.77931 627.7721 17.58681 38.65179       31.20687 
1 1 1 -18 10 17 o 577.5001 12.38111 78.68831       3.363420  76.81952       4.829096  80.44893       4.687262  569.6008 18.02295 583.0965 17.08872 -13.49573      24.83649 
1 1 1 -18 10 18 o 346.6530 14.51005 28.41058       2.366100  27.86113       3.544034  28.85243       3.178132  341.4124 22.18769 348.0868 19.48783 -6.674316      29.53082 
1 1 1 -18 10 19 o 497.6100 14.51919 58.60034       3.398605  58.99257       4.795467  58.20452       4.817315  497.7579 20.48064 494.3527 20.71566 3.405273       29.13066 
1 1 1 -18 10 20 o 237.4100 24.34701 13.66379       2.680560  0.000000       0.000000  13.66379       2.680560  ?        ?        237.4100 24.34701 0.000000       24.34701 
1 1 1 -18 10 21 o 573.5656 18.53857 78.48227       5.001827  79.49081       5.739369  75.29727       10.19937  575.9999 21.18227 546.7926 39.92956 29.20734       45.20020 
1 1 1 -18 10 22 o 318.9725 17.42109 24.35647       2.604063  23.48009       4.236735  24.88857       3.301262  308.1552 29.59144 320.7930 22.01003 -12.63776      36.87946 
1 1 1 -18 10 23 o 277.9182 19.20541 18.63436       2.495384  12.65448       3.969343  22.54216       3.208767  219.5385 39.90602 304.3901 22.57060 -84.85167      45.84673 
1 1 1 -18 10 24 o 52.97964 25.59148 -2.862712      1.930934  -1.554492      3.601817  -3.390341      2.287418  86.79108 39.63186 57.41909 27.76536 29.37199       48.39008 
1 1 1 -18 10 25 o 168.6836 29.33146 7.280571       2.242926  3.674644       3.752311  9.285231       2.797761  124.1609 46.93100 189.3461 32.58658 -65.18524      57.13496 
1 1 1 -18 10 26 o 110.9314 36.00227 3.194248       2.148643  1.707560       3.746769  3.922737       2.622761  107.1765 44.69701 121.5053 39.79332 -14.32871      59.84422 
1 1 1 -18 10 27 f 315.7603 20.67815 24.47790       3.054452  20.89110       4.739374  27.02616       3.994745  279.2291 36.99276 327.8475 26.11957 -48.61847      45.28462 
1 1 1 -18 10 28 f 76.98561 36.51339 -2.961039      3.554283  -4.154445      4.049627  1.041617       7.416434  78.46207 37.69221 123.8054 56.66135 -45.34335      68.05301 
1 1 1 -18 10 29 o 102.5647 40.36386 2.473418       2.857742  4.444115       6.190121  1.939634       3.221603  129.6465 55.87836 100.3923 41.62131 29.25427       69.67585 
1 1 1 -18 10 30 o 315.8942 25.23149 25.83456       3.718046  21.89358       7.127945  27.30763       4.357864  237.6390 62.81298 319.8637 29.28788 -82.22473      69.30549 
1 1 1 -18 10 31 o 140.2627 53.32680 7.746731       4.862646  0.000000       0.000000  7.746731       4.862646  ?        ?        140.2627 53.32680 0.000000       53.32680 
1 1 1 -18 10 32 o 97.93956 42.34763 2.468480       3.578236  -6.251487      5.103376  10.90071       5.018472  75.89095 37.63977 156.5573 55.00427 -80.66639      66.65000 
1 1 1 -18 12 1  o 703.9347 12.78086 116.6509       4.232156  116.4007       7.296309  116.7777       5.195460  702.5638 22.07741 704.1599 15.68496 -1.596069      27.08191 
1 1 1 -18 12 2  o 302.3417 15.51434 21.58490       2.199053  17.88747       4.288774  22.90372       2.561386  272.8063 34.16984 311.2975 17.56335 -38.49121      38.41938 
1 1 1 -18 12 3  o 801.3123 15.83833 151.2385       5.970086  0.000000       0.000000  151.2385       5.970086  ?        ?        801.3123 15.83833 0.000000       15.83833 
1 1 1 -18 12 4  o 900.1528 13.30002 190.7765       5.631680  187.9844       7.000521  195.8978       9.480957  893.2764 16.66001 911.3165 22.11636 -18.04004      27.68915 
1 1 1 -18 12 5  o 606.7508 12.31964 86.66950       3.516235  81.96046       4.291788  96.28419       6.132531  589.8784 15.46702 639.0005 20.40183 -49.12219      25.60202 
1 1 1 -18 12 6  o 688.3692 14.62802 111.6053       4.736706  109.1657       6.397171  114.5660       7.047358  680.3952 19.98745 696.8800 21.49804 -16.48480      29.35412 
1 1 1 -18 12 7  o 994.1130 12.64573 232.6964       5.913558  226.3751       6.733525  254.0131       12.36511  980.3372 14.60151 1036.926 25.35016 -56.58905      29.25466 
1 1 1 -18 12 8  f 504.6210 12.73219 59.96396       3.022300  62.56448       3.565754  53.32937       5.695462  515.3439 14.70906 474.3392 25.62030 41.00467       29.54245 
1 1 1 -18 12 9  o 1190.386 15.69465 333.9432       8.788382  333.9432       8.788382  0.000000       0.000000  1190.386 15.69465 ?        ?        0.000000       15.69465 
1 1 1 -18 12 10 o 301.8501 14.31935 21.46868       2.033217  23.38481       2.284070  14.15454       4.462498  314.9876 15.41511 240.3452 40.93784 74.64233       43.74395 
1 1 1 -18 12 11 o 355.9064 14.70469 29.85583       2.461847  29.85583       2.461847  0.000000       0.000000  355.9064 14.70469 ?        ?        0.000000       14.70469 
1 1 1 -18 12 12 o 588.1481 14.41786 81.54765       3.988934  81.54765       3.988934  0.000000       0.000000  588.1481 14.41786 ?        ?        0.000000       14.41786 
1 1 1 -18 12 13 o 617.8143 12.53934 89.95461       3.644198  96.45037       4.492087  77.45006       6.232574  639.4651 14.93351 571.8904 23.16783 67.57471       27.56371 
1 1 1 -18 12 14 o 287.5232 17.22976 19.59938       2.319610  21.70024       2.833026  15.32643       4.040324  302.1886 20.04357 250.6438 35.24160 51.54485       40.54276 
1 1 1 -18 12 15 o 607.9479 14.60136 87.25694       4.175697  94.41142       6.737922  82.79576       5.320616  630.7083 22.71057 591.4114 19.12506 39.29688       29.69071 
1 1 1 -18 12 16 o 401.4126 14.14168 38.05589       2.670308  35.09113       3.524638  42.05028       4.091139  384.2475 19.56470 420.9667 20.65985 -36.71915      28.45359 
1 1 1 -18 12 17 o 385.1746 16.49042 35.12719       2.987848  39.23901       5.231256  33.13644       3.639973  403.7658 27.71045 372.8015 20.83979 30.96426       34.67227 
1 1 1 -18 12 18 o 260.9705 17.46689 16.22991       2.131876  19.72826       3.490086  14.14766       2.692592  285.6533 26.26763 242.1378 23.95369 43.51550       35.54951 
1 1 1 -18 12 19 o 449.2179 13.53584 47.75788       2.860301  52.80833       4.554665  44.46908       3.675448  470.4712 20.58041 432.4313 18.06857 38.03989       27.38662 
1 1 1 -18 12 20 o 548.5897 13.65650 71.31089       3.524168  68.48059       5.288432  73.57177       4.726608  534.8949 21.01789 555.6740 18.08257 -20.77911      27.72600 
1 1 1 -18 12 21 o 213.5340 25.86495 11.20370       2.545059  17.17004       5.784528  9.771490       2.834112  252.2937 50.50288 197.1501 31.62920 55.14363       59.58982 
1 1 1 -18 12 22 o 252.3562 23.32845 15.53730       2.737955  15.69263       6.390301  15.50238       3.030175  233.6433 58.32469 250.9744 26.04593 -17.33109      63.87613 
1 1 1 -18 12 23 o 172.6048 26.40770 7.450413       2.075954  5.491525       3.746382  8.318413       2.493832  143.4714 47.58721 180.9612 30.37239 -37.48976      56.45374 
1 1 1 -18 12 24 o 232.2161 21.59601 13.18652       2.332005  11.81589       3.877162  13.96344       2.919043  209.9846 40.72121 236.7117 26.68044 -26.72710      48.68328 
1 1 1 -18 12 25 o 120.7647 38.52697 3.840361       2.468513  -2.015755      5.272297  5.484543       2.793637  102.2693 47.15902 141.8747 40.08712 -39.60538      61.89467 
1 1 1 -18 12 26 o 152.5300 32.00948 6.130188       2.223466  4.401125       3.827993  7.010558       2.731480  129.3524 47.70005 160.8440 36.88710 -31.49159      60.29886 
1 1 1 -18 12 27 o 224.6112 24.61906 12.69520       2.558567  4.174077       4.314482  17.31728       3.177598  127.1769 49.73160 261.6086 26.17243 -134.4318      56.19811 
1 1 1 -18 12 28 o 276.5255 44.59554 22.28486       5.603576  10.46671       7.142673  41.20095       9.036531  167.0096 64.35221 360.1288 55.09451 -193.1191      84.71488 
1 1 1 -18 12 29 o 71.22107 33.21546 -1.561613      2.730548  -0.3623663     6.255471  -1.843901      3.034949  107.8991 50.30535 73.89369 34.64206 34.00540       61.07946 
1 1 1 -18 12 30 o 100.4189 40.97181 2.442611       3.057456  1.140607       5.331629  3.080573       3.732081  105.0684 48.06984 108.4060 44.85865 -3.337532      65.74959 
1 1 1 -18 12 31 o 295.7131 31.89901 24.76526       4.367021  22.71700       6.250803  26.71819       6.103628  244.3542 55.62880 280.1733 48.04100 -35.81918      73.50171 
1 1 1 -18 14 1  o 1063.614 14.22476 266.4157       7.117020  257.7963       11.10755  272.4190       9.269846  1045.255 22.59054 1075.079 18.33002 -29.82361      29.09162 
1 1 1 -18 14 2  o 845.9388 12.75527 168.4890       5.075721  159.1829       7.731480  175.5379       6.728821  821.6183 20.00429 863.1423 16.57247 -41.52399      25.97727 
1 1 1 -18 14 3  o 580.4816 12.56518 79.33611       3.431046  72.33649       5.426120  83.99919       4.428829  553.7770 20.82981 597.1179 15.76738 -43.34088      26.12453 
1 1 1 -18 14 4  o 504.4730 13.49818 59.93231       3.203188  55.08678       3.993933  68.66826       5.362724  483.4396 17.56262 539.4984 21.13129 -56.05878      27.47684 
1 1 1 -18 14 5  o 303.2874 15.76661 21.73187       2.241619  21.07958       2.858594  22.77349       3.612319  298.2191 20.50190 309.4679 25.02852 -11.24881      32.35359 
1 1 1 -18 14 6  o 605.6047 15.60246 86.42291       4.444793  82.70235       5.919860  91.23068       6.729453  591.9526 21.25961 621.5402 23.01660 -29.58759      31.33265 
1 1 1 -18 14 7  o 357.2384 13.46520 30.06092       2.262769  27.80598       2.537287  38.82283       5.001509  343.4865 15.70329 404.2679 26.44616 -60.78140      30.75699 
1 1 1 -18 14 8  f 701.2527 11.48198 115.7975       3.787571  115.4015       4.266201  117.2711       8.230047  699.9403 12.95720 704.1790 24.84563 -4.238708      28.02132 
1 1 1 -18 14 9  o 576.7376 12.67191 78.35707       3.437872  85.01118       4.056206  61.38526       6.477971  600.5934 14.35721 508.3247 27.18976 92.26865       30.74756 
1 1 1 -18 14 10 o 281.8863 14.40610 18.78009       1.903868  18.78009       1.903868  0.000000       0.000000  281.8863 14.40610 ?        ?        0.000000       14.40610 
1 1 1 -18 14 11 f 425.7356 12.61028 42.71407       2.525422  40.95820       2.712662  54.13199       6.917405  416.8101 13.83529 475.9360 31.06808 -59.12589      34.00943 
1 1 1 -18 14 12 o 128.6000 27.62384 4.079649       1.621216  4.083964       1.713507  4.042807       5.007459  128.5083 29.03051 145.2372 54.35732 -16.72885      61.62376 
1 1 1 -18 14 13 o 477.5480 13.22035 53.79074       2.969814  56.52854       3.451988  45.99247       5.825966  489.3510 14.99614 438.4528 28.39987 50.89822       32.11599 
1 1 1 -18 14 14 f 595.5203 13.56298 83.70148       3.799452  89.45991       4.646760  72.08585       6.599630  615.2390 16.05599 550.2567 25.49675 64.98224       30.13103 
1 1 1 -18 14 15 o 209.4126 22.87312 10.55152       2.216547  14.01177       2.597695  1.286634       4.250642  241.6021 23.14001 116.3724 47.98961 125.2297       53.27723 
1 1 1 -18 14 16 o 181.8565 25.07953 8.042813       2.088363  8.493070       2.664554  7.325770       3.362539  185.2808 31.71227 169.4808 42.30860 15.79996       52.87425 
1 1 1 -18 14 17 o 108.4905 36.33381 2.738889       2.182856  7.586207       3.812507  0.3749228      2.662445  171.3270 46.23442 88.76170 37.38977 82.56528       59.46105 
1 1 1 -18 14 18 o 715.9338 14.41593 121.4045       4.854953  119.3408       6.119143  124.9108       7.976000  708.2802 18.36607 722.0333 23.48327 -13.75311      29.81235 
1 1 1 -18 14 19 o 343.6913 15.72130 28.05291       2.541712  31.44581       3.952547  25.66060       3.318949  361.0719 23.39684 326.6040 21.72674 34.46796       31.92904 
1 1 1 -18 14 20 o 249.1981 18.63031 14.91448       2.168108  12.65286       3.588632  16.21452       2.720804  223.4423 35.31608 258.6683 22.58723 -35.22604      41.92146 
1 1 1 -18 14 21 o 298.5766 18.04995 21.39388       2.523218  18.19134       4.239538  23.15051       3.139874  268.2670 34.38711 309.2845 21.71937 -41.01749      40.67191 
1 1 1 -18 14 22 o 74.60474 34.86681 -2.460090      3.033969  -4.114024      3.461210  3.026160       6.303864  73.72711 35.26561 137.7752 57.75768 -64.04810      67.67284 
1 1 1 -18 14 23 o 133.5420 47.53148 4.529622       3.758665  5.306184       4.566496  2.898336       6.618509  143.3359 52.21259 137.6050 58.50577 5.730896       78.41607 
1 1 1 -18 14 24 o 93.48166 34.38612 1.909183       1.987529  7.342399       3.550180  -0.5710464     2.398655  162.4944 44.93645 75.14117 33.49452 87.35322       56.04612 
1 1 1 -18 14 25 o 262.5230 20.32715 16.83381       2.490661  12.04216       4.189756  19.45255       3.097368  207.8622 44.20929 280.5000 23.69594 -72.63780      50.15933 
1 1 1 -18 14 26 o 484.9597 16.30091 56.66227       3.718664  45.67252       5.645598  65.08439       4.942273  424.4776 28.43835 516.3405 20.34798 -91.86285      34.96827 
1 1 1 -18 14 27 f 192.8626 31.15445 9.814850       2.730077  3.156956       5.894825  11.63285       3.080344  126.0600 54.43034 209.4448 32.30401 -83.38484      63.29463 
1 1 1 -18 14 28 o 258.8248 26.00390 17.21185       3.123196  6.251487       6.751516  20.19581       3.522780  140.3041 59.34438 279.4897 27.13685 -139.1856      65.25461 
1 1 1 -18 14 29 o 101.4597 45.96160 0.7390265      4.724238  5.529132       6.108356  -6.391201      7.452526  130.5788 55.87807 97.11863 47.65103 33.46018       73.43690 
1 1 1 -18 14 30 o 75.42136 35.60765 -1.775092      3.307807  -4.429251      5.130749  0.1127527      4.327135  83.27494 40.57367 92.97524 42.81895 -9.700302      58.98886 
1 1 1 -18 16 1  o 730.8307 22.74151 126.1349       7.818177  126.1349       7.818177  0.000000       0.000000  730.8307 22.74151 ?        ?        0.000000       22.74151 
1 1 1 -18 16 2  o 1151.681 14.23166 312.4722       7.710042  311.4544       11.69766  313.2540       10.25208  1148.575 21.65063 1152.402 18.91205 -3.827271      28.74744 
1 1 1 -18 16 3  o 341.8075 15.15063 27.53173       2.436024  25.87985       4.117851  28.42106       3.021429  329.6573 26.78617 346.6218 18.59841 -16.96448      32.60981 
1 1 1 -18 16 4  o 456.6519 13.61614 49.12606       2.924884  53.03036       3.857667  43.84661       4.485868  474.2165 17.29333 430.2701 22.23940 43.94638       28.17180 
1 1 1 -18 16 5  o 636.5897 16.05482 95.54137       4.807667  95.02110       6.850220  96.04638       6.749044  634.0664 22.96680 637.5397 22.50432 -3.473267      32.15460 
1 1 1 -18 16 6  o 847.4554 14.02732 169.2446       5.591919  169.7167       6.862109  168.3116       9.647822  848.2233 17.19801 843.4803 24.31561 4.742920       29.78288 
1 1 1 -18 16 7  o 240.6250 17.55371 13.73519       1.973207  14.06270       2.240727  12.60404       4.164271  243.2198 19.75559 226.2317 40.62356 16.98808       45.17252 
1 1 1 -18 16 8  o 752.5794 14.51674 133.5423       5.139142  128.4613       6.102926  145.9275       9.528308  737.6973 17.58695 784.6096 25.81623 -46.91229      31.23746 
1 1 1 -18 16 9  o 805.5552 11.98485 152.9109       4.541479  149.8582       5.005527  167.1225       10.80020  797.2956 13.34631 838.8761 27.36937 -41.58051      30.45007 
1 1 1 -18 16 10 o 379.8393 12.93646 34.01639       2.311452  34.01639       2.311452  0.000000       0.000000  379.8393 12.93646 ?        ?        0.000000       12.93646 
1 1 1 -18 16 11 f 183.3611 18.89753 8.036377       1.606621  7.888814       1.686108  9.491677       5.295100  181.4607 20.09011 193.5157 55.36841 -12.05498      58.90054 
1 1 1 -18 16 12 o 694.3080 13.19548 113.7432       4.309696  113.0290       4.774538  116.8847       10.01340  691.8654 14.67035 699.0444 30.45141 -7.178955      33.80099 
1 1 1 -18 16 13 o 686.6030 13.23616 111.2807       4.275009  117.3899       5.075189  96.35791       7.932042  704.7692 15.30862 635.4595 26.53554 69.30969       30.63476 
1 1 1 -18 16 14 o 643.8125 21.47833 98.54341       6.504730  98.54341       6.504730  0.000000       0.000000  643.8125 21.47833 ?        ?        0.000000       21.47833 
1 1 1 -18 16 15 o 192.6372 24.27783 8.997857       2.151122  9.679030       2.377150  5.918268       5.054454  199.4975 25.94487 158.1161 55.22075 41.38132       61.01202 
1 1 1 -18 16 16 o 479.9501 14.73992 54.53717       3.327826  56.50936       3.973091  49.90107       6.091599  487.9442 17.30968 454.1366 28.66219 33.80756       33.48352 
1 1 1 -18 16 17 f 181.5791 35.30234 8.334676       2.906761  8.334676       2.906761  0.000000       0.000000  181.5791 35.30234 ?        ?        0.000000       35.30234 
1 1 1 -18 16 18 o 154.6474 33.73235 6.084805       2.384829  6.795482       3.849766  5.642257       3.037931  160.9011 47.55488 147.6252 41.83503 13.27585       63.33748 
1 1 1 -18 16 19 o 168.2539 29.13311 7.085146       2.222294  6.934546       3.172949  7.230155       3.113491  162.5745 41.38345 166.3353 40.23129 -3.760849      57.71609 
1 1 1 -18 16 20 o 155.0240 32.19410 6.136907       2.270938  6.722029       3.428204  5.679382       3.031450  158.8034 44.24508 146.8569 41.85077 11.94655       60.90250 
1 1 1 -18 16 21 o 124.5566 34.69281 4.011020       2.108070  7.340199       3.525723  2.158613       2.629952  164.9939 44.43470 103.4536 39.24526 61.54026       59.28434 
1 1 1 -18 16 22 o 110.0047 35.48722 3.035620       2.089919  5.034500       3.296376  1.692102       2.702496  138.0724 44.57103 99.03679 39.16400 39.03560       59.33292 
1 1 1 -18 16 23 o 199.4174 23.33992 9.809175       2.148017  10.11580       3.653836  9.647239       2.655321  193.7411 41.35127 194.9448 29.91090 -1.203735      51.03518 
1 1 1 -18 16 24 o 198.7924 25.33561 9.876049       2.315335  13.09484       4.300682  8.562376       2.747481  218.3355 43.40262 181.0424 33.49522 37.29311       54.82442 
1 1 1 -18 16 25 o 161.7751 30.50872 6.818698       2.236553  5.540832       3.842832  7.473279       2.750366  140.1717 48.19469 166.5433 36.14493 -26.37157      60.24271 
1 1 1 -18 16 26 f 314.2751 20.75635 24.32267       3.051250  21.92628       6.318870  25.05135       3.484407  269.6357 51.69999 316.9597 23.53787 -47.32407      56.80599 
1 1 1 -18 16 27 f 212.2698 27.45500 11.66850       2.677202  4.152795       5.824839  13.68141       3.014471  128.9747 54.86229 229.2066 28.57948 -100.2319      61.85999 
1 1 1 -18 16 28 o 126.1351 53.78604 4.476814       5.623515  4.476814       5.623515  0.000000       0.000000  126.1351 53.78604 ?        ?        0.000000       53.78604 
1 1 1 -18 16 29 o 177.1443 41.26614 9.672547       3.374766  0.4126041      4.943304  17.75565       4.618513  99.56598 45.82157 240.6219 42.35010 -141.0559      62.39509 
1 1 1 -18 18 1  o 77.21295 32.12040 0.3225098      1.928028  2.197917       4.358357  -0.1337961     2.149825  125.7894 49.73794 76.94465 33.04408 48.84479       59.71410 
1 1 1 -18 18 2  o 322.4601 16.23524 24.58927       2.454768  25.97213       4.431570  23.97714       2.948440  329.5573 28.87755 317.9871 19.80961 11.57013       35.01905 
1 1 1 -18 18 3  o 391.9463 14.55561 36.21978       2.683653  32.33894       4.392203  38.53170       3.390044  368.5724 25.48979 404.0163 17.83763 -35.44391      31.11126 
1 1 1 -18 18 4  o 89.95685 32.70155 1.584198       1.789988  0.7434631      2.490617  2.482382       2.574306  90.53670 36.96404 109.9293 39.31408 -19.39263      53.96236 
1 1 1 -18 18 5  o 306.7942 22.21707 22.39032       3.184583  24.56548       4.807562  20.68966       4.250984  319.4805 32.43970 293.1744 31.30854 26.30609       45.08391 
1 1 1 -18 18 6  o 611.4120 12.90842 88.12141       3.712584  88.71844       4.333559  86.47444       7.197641  613.2363 15.02268 603.7437 25.34360 9.492615       29.46148 
1 1 1 -18 18 7  f 255.0418 17.46610 15.43784       2.082828  15.38958       2.287578  15.67182       5.036828  254.3952 19.25877 251.1792 44.24522 3.216064       48.25495 
1 1 1 -18 18 8  o 466.6483 12.59829 51.34552       2.765481  51.05075       3.039167  52.76457       6.668246  465.1820 13.88872 469.3108 30.36796 -4.128754      33.39326 
1 1 1 -18 18 9  o 651.8054 17.04569 100.4232       5.226391  100.4232       5.226391  0.000000       0.000000  651.8054 17.04569 ?        ?        0.000000       17.04569 
1 1 1 -18 18 10 o 242.4307 15.60944 13.94348       1.770636  13.66534       1.866602  16.44174       5.594182  239.8481 16.64729 255.0973 48.38929 -15.24918      51.17280 
1 1 1 -18 18 11 o 328.5438 19.50293 25.67605       3.000630  25.71641       3.428624  25.54400       6.202022  328.2307 22.33895 321.2955 42.04414 6.935211       47.61028 
1 1 1 -18 18 12 o 452.9552 12.40417 48.42688       2.642972  47.69027       2.821021  53.71582       7.559164  449.3723 13.34537 470.3704 34.40232 -20.99811      36.90012 
1 1 1 -18 18 13 o 246.1981 23.64946 14.58773       2.705193  16.04340       3.050636  9.230084       5.852565  257.8398 25.48553 188.9710 59.20545 68.86879       64.45772 
1 1 1 -18 18 14 o 670.7007 15.76157 106.5582       4.972760  106.5582       4.972760  0.000000       0.000000  670.7007 15.76157 ?        ?        0.000000       15.76157 
1 1 1 -18 18 15 o 416.6680 15.04566 41.13156       2.948973  42.08853       3.290610  37.22747       6.646403  421.1539 16.60987 387.9254 36.86557 33.22855       40.43461 
1 1 1 -18 18 16 o 123.9626 35.39398 3.878157       2.166084  3.402941       2.390254  6.061127       5.122977  118.0555 37.93764 157.4270 55.54914 -39.37152      67.26791 
1 1 1 -18 18 17 o 297.4816 19.27288 21.20744       2.682465  21.64639       3.110664  19.93417       5.297947  299.6495 22.22679 279.2199 41.60651 20.42963       47.17131 
1 1 1 -18 18 18 o 446.6678 19.79648 47.73482       4.159508  52.08086       6.018366  43.76039       5.755311  462.0082 27.82211 422.6311 29.12712 39.37704       40.27976 
1 1 1 -18 18 19 o 389.4677 17.08419 36.17490       3.129934  43.01347       4.163701  27.28967       4.746038  423.2369 20.91350 331.9778 30.74045 91.25909       37.17996 
1 1 1 -18 18 20 o 95.03564 37.64164 1.458884       2.500170  2.154281       4.508353  1.150037       3.004502  120.5903 49.53988 98.14590 40.39499 22.44444       63.92147 
1 1 1 -18 18 21 o 144.3197 33.58899 5.402834       2.237535  5.081913       3.157667  5.726488       3.171079  138.7669 43.49018 146.3691 43.13174 -7.602158      61.25148 
1 1 1 -18 18 22 o 207.1117 26.08450 10.67082       2.484934  5.068150       3.730451  15.13978       3.331712  138.6681 47.49318 245.5183 29.43469 -106.8502      55.87489 
1 1 1 -18 18 23 o 103.2438 43.06148 1.378449       3.478112  1.378449       3.478112  0.000000       0.000000  103.2438 43.06148 ?        ?        0.000000       43.06148 
1 1 1 -18 18 24 o 256.3006 21.31349 16.13003       2.546342  19.30987       4.335190  14.45516       3.146268  271.7292 34.70878 238.5847 28.60418 33.14459       44.97664 
1 1 1 -18 18 25 o 285.0700 20.28852 19.95611       2.702883  15.03166       4.228907  23.35711       3.514408  233.6856 39.90299 305.5121 24.66453 -71.82649      46.91042 
1 1 1 -18 18 26 o 239.2701 25.56841 14.57597       2.833250  20.04756       6.360515  13.22156       3.164546  249.5206 55.61073 224.0344 30.84599 25.48619       63.59268 
1 1 1 -18 18 27 f 200.7511 33.87959 11.07424       3.085491  0.000000       0.000000  11.07424       3.085491  ?        ?        200.7511 33.87959 0.000000       33.87959 
1 1 1 -18 18 28 o 107.7897 40.30391 3.279015       2.751662  5.490488       5.599679  2.575014       3.159431  128.5932 54.19929 102.6368 41.73721 25.95640       68.40729 
1 1 1 -18 20 1  o 55.77997 26.96996 -3.464977      2.156908  -3.005351      7.349437  -3.508296      2.256261  128.4487 57.83460 57.54719 27.76445 70.90149       64.15377 
1 1 1 -18 20 2  o 622.0594 15.04237 91.32028       4.401669  84.66113       8.683143  93.62328       5.106390  594.8914 31.13741 629.5217 17.24384 -34.63025      35.59337 
1 1 1 -18 20 3  o 841.7491 20.15394 167.6925       7.980168  167.6925       7.980168  0.000000       0.000000  841.7491 20.15394 ?        ?        0.000000       20.15394 
1 1 1 -18 20 4  f 289.5367 18.17207 19.89837       2.462464  14.69976       3.583254  24.55052       3.389700  246.0975 31.68912 320.9953 22.59290 -74.89775      38.91837 
1 1 1 -18 20 5  o 371.1977 16.55411 32.55699       2.890549  31.67716       3.449501  34.63139       5.296674  365.1996 20.15773 379.7586 29.89175 -14.55902      36.05344 
1 1 1 -18 20 6  o 699.0812 13.30564 115.3078       4.375551  110.5454       4.884334  134.6611       9.846206  684.1694 15.17653 751.4985 27.85297 -67.32910      31.71931 
1 1 1 -18 20 7  o 862.6737 13.32227 175.6255       5.406224  179.7788       6.271684  163.6148       10.66528  872.3536 15.28348 828.2015 27.37581 44.15216       31.35314 
1 1 1 -18 20 8  o 264.2888 16.74835 16.58707       2.071426  16.30542       2.234195  18.31153       5.528243  261.7897 18.25688 270.3315 45.05927 -8.541809      48.61739 
1 1 1 -18 20 9  o 367.1750 13.56023 31.83680       2.342122  32.51316       2.508567  27.24138       6.538787  370.9627 14.37561 331.2823 42.97174 39.68039       45.31257 
1 1 1 -18 20 10 o 253.0097 15.55035 15.19880       1.841780  15.27433       1.939655  14.50654       5.872163  253.5145 16.35214 236.0696 54.04538 17.44496       56.46500 
1 1 1 -18 20 11 o 484.3553 11.87109 55.37970       2.704730  54.74046       2.888524  59.92866       7.705524  481.4165 12.75515 496.7306 33.16775 -15.31409      35.53580 
1 1 1 -18 20 12 o 593.2116 11.93806 83.10195       3.331291  85.87091       3.615512  67.53865       8.571602  602.8430 12.74959 525.8471 34.84991 76.99585       37.10888 
1 1 1 -18 20 13 o 337.1744 15.44993 26.93733       2.450475  27.03087       2.639185  26.35256       6.599013  337.5641 16.62051 322.3968 44.71709 15.16730       47.70597 
1 1 1 -18 20 14 o 767.9607 14.67762 139.7254       5.302295  145.5112       6.054714  120.6897       10.98235  782.9783 16.43897 703.3271 33.19469 79.65118       37.04224 
1 1 1 -18 20 15 o 197.0887 23.87596 9.454374       2.168398  9.563009       2.364347  8.879273       5.439997  197.6077 26.07199 182.2805 57.07583 15.32726       62.74869 
1 1 1 -18 20 16 o 153.4606 33.55084 5.990594       2.354432  4.871293       2.421162  25.46076       10.09799  137.8189 36.69429 294.1346 73.25824 -156.3158      81.93436 
1 1 1 -18 20 17 o 219.0391 24.35297 11.70069       2.466765  11.92905       2.738891  10.71978       5.676486  220.3188 26.99191 196.7739 57.62895 23.54497       63.63694 
1 1 1 -18 20 18 o 218.3941 24.90630 11.67549       2.512935  11.94404       2.848918  10.73415       5.333900  219.7383 28.21330 196.6088 55.33504 23.12947       62.11245 
1 1 1 -18 20 19 o 208.3902 35.06264 11.08800       3.315052  12.20274       4.444667  9.690429       4.976700  213.5288 45.63437 186.5228 53.76960 27.00603       70.52422 
1 1 1 -18 20 20 o 258.7516 23.71854 16.36755       2.854827  16.59060       3.574873  15.97491       4.743128  257.6464 30.06149 245.8732 42.54990 11.77327       52.09786 
1 1 1 -18 20 21 o 106.2520 38.65330 2.568531       2.501498  1.786223       3.223062  3.753650       3.966985  104.9192 42.33636 127.4735 48.23751 -22.55433      64.18119 
1 1 1 -18 20 22 o 245.0043 24.75769 14.86368       2.814189  14.19587       3.772528  15.70155       4.225633  233.4988 35.46122 244.0768 38.04426 -10.57794      52.00831 
1 1 1 -18 20 23 o 88.12453 35.84643 1.147956       2.331399  -0.3830257     3.358991  2.571073       3.238502  89.18410 39.70398 110.1327 43.08094 -20.94862      58.58645 
1 1 1 -18 20 24 f 124.6458 38.48868 4.254292       2.483527  5.963046       3.961518  3.147873       3.187732  143.1010 48.94230 113.9157 43.20871 29.18535       65.28660 
1 1 1 -18 20 25 o 435.6342 19.30994 46.45538       3.957056  31.24257       6.687581  54.65091       4.908544  329.8271 44.21673 469.5255 22.22410 -139.6983      49.48767 
1 1 1 -18 20 26 o 331.5504 21.96591 27.54368       3.406441  14.56302       6.130909  33.34050       4.097047  199.9115 60.22764 362.6012 24.15825 -162.6897      64.89214 
1 1 1 -18 22 1  o 361.1435 18.49430 30.95339       3.131320  38.13912       8.040092  29.66856       3.399758  393.2947 44.22542 353.1731 20.55289 40.12161       48.76791 
1 1 1 -18 22 2  o 361.8238 18.65934 31.07919       3.165056  40.10107       6.902844  28.67756       3.561498  406.2104 36.51514 346.9009 21.93818 59.30954       42.59858 
1 1 1 -18 22 3  o 344.5535 16.89963 28.08060       2.739070  32.32121       4.292699  25.16839       3.557358  367.6169 24.97173 324.5357 23.46016 43.08112       34.26320 
1 1 1 -18 22 4  o 691.1628 15.77925 112.9319       5.130222  115.6064       9.738629  111.9046       6.035592  694.7760 29.79777 687.3132 18.66792 7.462769       35.16245 
1 1 1 -18 22 5  o 162.4605 28.49644 6.491371       2.098334  6.681335       2.410806  5.897741       4.261713  163.9984 32.39936 155.7264 50.71171 8.272018       60.17804 
1 1 1 -18 22 6  o 498.0420 13.59589 58.58344       3.185245  62.98046       3.694055  45.83829       6.289217  516.1244 15.21527 435.7866 30.87982 80.33783       34.42482 
1 1 1 -18 22 7  o 352.4920 14.90278 29.37806       2.471074  28.84244       2.687132  32.31273       6.289854  349.0754 16.36441 362.9555 37.37424 -13.88004      40.79985 
1 1 1 -18 22 8  o 533.3656 13.92119 67.23618       3.492775  67.23618       3.492775  0.000000       0.000000  533.3656 13.92119 ?        ?        0.000000       13.92119 
1 1 1 -18 22 9  o 549.2937 12.31870 71.25387       3.183015  76.28430       3.538297  49.91082       7.288191  568.1748 13.23863 452.3129 34.51455 115.8619       36.96641 
1 1 1 -18 22 10 o 712.4415 14.45439 120.0922       4.844157  125.7955       5.615664  103.5077       9.576073  728.5483 16.38602 654.4291 31.10681 74.11920       35.15871 
1 1 1 -18 22 11 o 242.6551 16.64249 14.02929       1.888185  14.02929       1.888185  0.000000       0.000000  242.6551 16.64249 ?        ?        0.000000       16.64249 
1 1 1 -18 22 12 o 268.7243 17.52976 17.22365       2.203773  17.81222       2.341243  12.64863       6.527422  273.1213 18.32932 215.5337 61.40773 57.58763       64.08489 
1 1 1 -18 22 13 o 330.6877 14.39665 25.90296       2.239489  25.96575       2.358405  25.32699       7.142793  330.9633 15.14849 311.9185 50.39938 19.04483       52.62674 
1 1 1 -18 22 14 o 315.7375 17.19891 23.76799       2.544813  24.23744       2.712718  20.32402       7.347485  318.6002 18.17577 273.1660 58.91219 45.43423       61.65229 
1 1 1 -18 22 15 o 149.7946 33.81668 5.713812       2.326394  5.713812       2.326394  0.000000       0.000000  149.7946 33.81668 ?        ?        0.000000       33.81668 
1 1 1 -18 22 16 o 308.2945 16.81580 22.68659       2.429455  22.34526       2.582887  25.30618       7.155441  305.6209 18.04611 308.6640 51.06678 -3.043152      54.16159 
1 1 1 -18 22 17 o 181.6043 29.10791 8.235532       2.402613  9.462813       2.745476  4.221831       4.964985  194.1954 31.10433 139.8131 53.71009 54.38231       62.06652 
1 1 1 -18 22 18 o 195.9899 29.22442 9.602627       2.611952  8.748019       3.049333  11.95726       5.061540  184.0026 36.51857 207.9494 51.90629 -23.94678      63.46549 
1 1 1 -18 22 19 o 258.9620 26.71521 16.55934       3.207604  24.27051       3.974053  2.145705       5.433259  313.7106 27.19909 127.1293 53.47465 186.5813       59.99441 
1 1 1 -18 22 20 o 168.2112 42.42978 7.674194       3.356969  14.46492       4.804254  1.195286       4.692655  230.2052 45.97441 114.3987 48.96597 115.8065       67.16631 
1 1 1 -18 22 21 o 179.8081 32.36205 8.368302       2.636593  6.500618       3.393518  11.21284       4.187978  153.1731 44.47193 200.9256 45.38172 -47.75249      63.53938 
1 1 1 -18 22 22 o 139.9429 39.92443 5.376200       2.757239  7.161882       3.688940  3.115859       4.150367  158.2066 46.49226 120.6622 48.26926 37.54441       67.01829 
1 1 1 -18 22 23 o 264.7144 24.94381 17.57008       3.069434  16.25259       4.207428  19.06900       4.487794  245.3000 37.66686 266.7754 36.73599 -21.47546      52.61488 
1 1 1 -18 22 24 o 109.5430 42.03657 2.926793       3.039280  1.975303       3.604450  5.267539       5.653457  105.2115 43.85550 136.8235 55.75676 -31.61200      70.93745 
1 1 1 -18 24 1  o 216.6587 25.60844 11.35303       2.559454  14.28662       4.505129  9.954934       3.110113  238.7355 41.63005 200.5030 34.20219 38.23254       53.87811 
1 1 1 -18 24 2  o 267.8423 23.62228 17.21793       2.945773  13.35315       5.692753  18.63121       3.442500  226.5250 54.15770 277.9641 26.65475 -51.43907      60.36168 
1 1 1 -18 24 3  o 128.5482 38.92957 4.067831       2.556618  6.712247       4.636490  2.912494       3.064634  164.3745 52.83916 118.0578 42.80857 46.31670       68.00405 
1 1 1 -18 24 4  o 384.0481 18.97729 34.99440       3.428381  39.98217       6.878896  33.34603       3.954521  404.2887 36.56654 373.5575 22.61090 30.73126       42.99261 
1 1 1 -18 24 5  o 504.7271 14.82158 60.24772       3.519010  59.28391       3.983305  63.67420       7.510512  500.2564 16.92706 513.1710 31.26179 -12.91464      35.55032 
1 1 1 -18 24 6  o 161.6398 27.59187 6.431324       2.022663  6.120751       2.228889  7.880499       4.814672  156.7207 31.32899 175.3461 53.49512 -18.62537      61.99382 
1 1 1 -18 24 7  o 221.7900 20.23731 11.79104       2.088116  11.31927       2.262244  14.50654       5.427476  216.7826 22.51262 236.5271 50.32699 -19.74452      55.13279 
1 1 1 -18 24 8  o 144.8523 27.18258 5.191913       1.784159  5.411468       1.897864  3.522593       5.233161  147.6914 28.34830 140.1519 54.78044 7.539520       61.68082 
1 1 1 -18 24 9  o 278.1546 15.52540 18.38174       2.023309  19.97225       2.144469  5.487515       6.105894  289.9265 15.78343 159.3625 59.94924 130.5640       61.99216 
1 1 1 -18 24 10 o 263.9461 14.69247 16.54477       1.817001  16.48230       1.900195  17.21165       6.208668  263.3206 15.40781 255.6579 53.35098 7.662796       55.53133 
1 1 1 -18 24 11 o 260.0187 14.99354 16.07000       1.826133  17.07898       1.915735  6.034483       6.041772  268.0343 15.25723 162.0610 59.89367 105.9733       61.80643 
1 1 1 -18 24 12 o 233.3357 16.03713 12.97858       1.749574  13.16220       1.821038  10.77586       6.307186  234.8798 16.58844 199.2928 61.30267 35.58708       63.50743 
1 1 1 -18 24 13 o 477.0835 12.56993 53.84665       2.820958  55.57854       3.035273  42.86564       7.642905  484.5228 13.31724 413.4042 39.79354 71.11859       41.96278 
1 1 1 -18 24 14 o 475.5443 13.27370 53.56277       2.969287  54.91670       3.194070  44.94650       8.057613  481.2993 14.10782 421.5395 41.16004 59.75989       43.51068 
1 1 1 -18 24 15 o 417.3265 16.22643 41.43070       3.185431  44.16441       3.467241  26.63496       8.066324  430.6006 17.11749 312.1206 57.04139 118.4800       59.55442 
1 1 1 -18 24 16 o 176.8768 26.05438 7.740192       2.102873  7.915721       2.191030  5.689656       7.488729  178.6293 26.91020 161.7542 64.79198 16.87508       70.15810 
1 1 1 -18 24 17 o 185.7961 26.01836 8.550566       2.211610  9.731405       2.374174  0.8029132      6.081378  198.3923 26.07140 125.7105 54.77755 72.68175       60.66546 
1 1 1 -18 24 18 o 266.4521 24.36390 17.40391       3.019964  18.57304       3.452362  13.59394       6.232264  274.0183 27.14043 214.9396 59.57465 59.07870       65.46558 
1 1 1 -18 24 19 o 194.4012 37.91866 9.974586       3.343009  16.53686       5.400850  5.898774       4.256396  244.0317 48.75431 147.5585 50.72252 96.47322       70.35450 
1 1 1 -18 24 20 o 161.0022 47.82890 7.355364       3.886572  5.986921       5.078647  9.289537       6.037851  148.1680 54.88216 174.5373 60.38792 -26.36929      81.60117 
1 1 1 -18 24 21 o 143.1014 44.84112 5.762373       3.357045  2.649326       3.912547  14.45006       6.536102  115.2926 46.60215 210.9841 61.85242 -95.69147      77.44341 
1 1 1 -18 24 22 o 199.4011 32.64997 10.48772       2.956501  15.67744       4.181994  5.302322       4.180254  240.0746 38.31971 136.7336 49.93313 103.3411       62.94218 
1 1 1 -18 26 1  o 271.7259 22.29579 17.69069       2.824744  15.24366       4.879722  18.92393       3.464170  245.6593 43.83511 280.0376 26.61752 -34.37825      51.28362 
1 1 1 -18 26 2  o 513.5222 15.05563 62.37411       3.636867  61.05767       5.503048  63.39495       4.845993  506.1489 23.11297 516.6139 19.94102 -10.46503      30.52628 
1 1 1 -18 26 3  o 313.5064 21.60168 23.49869       3.166247  25.55886       6.145164  22.75410       3.694378  320.2705 41.78503 307.4147 25.78564 12.85587       49.10080 
1 1 1 -18 26 4  o 329.3195 18.10858 25.80252       2.794471  28.32640       4.280156  23.92735       3.689301  342.8585 26.75011 315.4228 25.07147 27.43576       36.66261 
1 1 1 -18 26 5  o 521.6409 19.46190 64.65533       4.775580  61.76850       6.145845  69.05470       7.586924  507.2855 25.84048 534.4630 30.30186 -27.17749      39.82378 
1 1 1 -18 26 6  o 275.4547 18.87463 18.10601       2.430923  19.43401       2.684303  12.05113       5.731709  285.1452 20.14182 213.1875 56.31462 71.95769       59.80827 
1 1 1 -18 26 7  o 275.6014 19.21878 18.14246       2.475993  18.14246       2.475993  0.000000       0.000000  275.6014 19.21878 ?        ?        0.000000       19.21878 
1 1 1 -18 26 8  o 197.0212 21.90954 9.372724       1.996168  11.74463       2.146083  -5.847206      5.436306  221.0441 20.88699 95.00542 45.08839 126.0387       49.69135 
1 1 1 -18 26 9  o 340.4789 14.11045 27.44112       2.259957  27.56779       2.401778  26.46255       6.675593  341.1276 14.96741 322.4398 45.25852 18.68774       47.66925 
1 1 1 -18 26 10 o 265.5683 15.01174 16.76791       1.867645  16.14717       1.941831  24.42925       6.821988  260.4128 15.92843 307.1128 48.85863 -46.69998      51.38950 
1 1 1 -18 26 11 o 566.2579 35.55716 79.16172       9.423244  0.000000       0.000000  79.16172       9.423244  ?        ?        566.2579 35.55716 0.000000       35.55716 
1 1 1 -18 26 12 o 232.7452 16.44546 12.93808       1.788922  13.28843       1.866141  8.965518       6.283859  235.7827 16.93819 182.9848 61.64515 52.79787       63.92986 
1 1 1 -18 26 13 o 450.5184 13.38257 48.10036       2.836100  48.38860       3.020804  45.95720       8.237040  451.6472 14.21851 425.0379 41.73614 26.60922       44.09162 
1 1 1 -18 26 14 o 436.4793 15.52232 45.30710       3.187054  45.30710       3.187054  0.000000       0.000000  436.4793 15.52232 ?        ?        0.000000       15.52232 
1 1 1 -18 26 15 o 123.8540 34.67958 3.944169       2.100660  5.387146       2.279289  -4.194412      5.413074  144.4722 34.08893 98.30067 46.14187 46.17155       57.36835 
1 1 1 -18 26 16 o 340.5393 19.33060 27.92783       3.083814  29.27440       3.508963  23.35910       6.463419  347.6980 21.56027 294.0921 48.40523 53.60587       52.98973 
1 1 1 -18 26 17 o 457.7572 16.47998 50.11387       3.548634  56.34124       4.086930  31.03448       7.153642  484.6313 17.92736 339.8693 45.92093 144.7620       49.29627 
1 1 1 -18 26 18 o 125.7930 38.52309 4.177230       2.493837  3.202408       2.795814  7.972652       5.516654  114.8217 40.98047 165.7211 57.70082 -50.89936      70.77277 
1 1 1 -18 26 19 o 357.5617 18.77738 30.97151       3.147261  34.70075       3.625460  19.56599       6.340302  377.4932 20.49346 258.0005 53.97633 119.4926       57.73583 
1 1 1 -18 28 1  o 290.6576 22.26167 20.25778       3.020611  19.25028       4.899119  20.87568       3.836640  278.1037 38.48017 293.4384 28.13999 -15.33466      47.67161 
1 1 1 -18 28 2  o 201.6188 27.99771 9.946729       2.583686  10.96619       4.065302  9.255920       3.346470  207.0975 43.13108 191.2869 38.52288 15.81062       57.82994 
1 1 1 -18 28 3  f 379.7259 20.45981 34.42363       3.641125  29.28954       6.831380  36.46095       4.303344  341.2982 43.54268 389.9015 23.57375 -48.60324      49.51451 
1 1 1 -18 28 4  o 593.6740 20.96790 83.99112       5.855611  0.000000       0.000000  83.99112       5.855611  ?        ?        593.6740 20.96790 0.000000       20.96790 
1 1 1 -18 28 5  o 84.90788 34.78667 0.7047171      2.215472  0.5235496      2.477937  1.426576       4.946251  87.18229 36.35311 123.0334 51.33666 -35.85108      62.90470 
1 1 1 -18 28 6  o 206.4321 24.19649 10.34356       2.305058  9.793125       2.520920  13.15101       5.693248  199.8787 27.54321 221.8340 54.86406 -21.95528      61.38968 
1 1 1 -18 28 7  o 135.1396 33.07967 4.624514       2.085881  4.161232       2.252971  7.404876       5.519290  128.2996 35.91146 170.4651 57.77162 -42.16545      68.02348 
1 1 1 -18 28 8  o 142.4861 30.45073 5.107609       1.979064  7.922355       2.142340  -11.27527      5.168493  179.6220 26.12006 76.75916 38.03667 102.8628       46.14159 
1 1 1 -18 28 9  o 199.9901 20.81772 9.659167       1.929739  10.21787       2.068519  5.909632       5.358700  205.5178 21.72577 156.6927 56.63940 48.82506       60.66325 
1 1 1 -18 28 10 o 76.60948 32.37201 0.2438664      2.005878  0.2609851      2.194677  0.1570155      4.943355  79.91715 33.82047 114.0638 49.54639 -34.14666      59.98890 
1 1 1 -18 28 11 o 344.3459 14.36987 28.13840       2.327647  29.86087       2.527124  18.50179       5.977409  354.5530 15.15221 263.3315 50.08514 91.22153       52.32696 
1 1 1 -18 28 12 o 250.1955 18.02744 15.02045       2.107478  16.23428       2.288590  8.249109       5.405365  259.9232 18.84579 174.0046 57.13405 85.91855       60.16198 
1 1 1 -18 28 14 o 337.2155 17.59566 27.27446       2.781469  32.33626       3.198751  11.58145       5.632239  366.8436 18.59741 200.7582 56.98749 166.0854       59.94529 
1 1 1 -18 28 15 o 92.64285 35.74623 1.603772       2.206267  2.276929       2.507270  -0.7057076     4.644084  103.1628 38.49241 103.7530 46.40082 -0.5902557     60.28849 
1 1 1 -18 28 16 o 112.7588 44.11306 2.563930       3.395822  2.772592       4.670774  2.329965       4.945858  123.7752 50.58690 122.8152 51.29768 0.9599915      72.04504 
1 1 1 -18 30 1  o 342.2303 18.63326 27.94898       2.988391  26.08228       4.334214  29.64056       4.125921  327.4481 28.42022 350.4185 25.19846 -22.97037      37.98251 
1 1 1 -18 30 2  o 343.9748 18.36743 28.22851       2.961220  24.07695       4.188325  32.37797       4.187270  314.3602 28.63740 366.5237 24.42610 -52.16348      37.63954 
1 1 1 -18 30 3  o 216.9378 29.34018 11.59017       2.917288  17.86564       5.391392  8.992081       3.469008  263.3659 45.14283 186.9482 40.60917 76.41766       60.72051 
1 1 1 -18 30 4  o 206.0671 30.17059 10.51116       2.837938  10.10818       3.467474  11.32878       4.939114  199.1176 38.41170 206.0918 51.18017 -6.974243      63.99116 
1 1 1 -18 30 5  o 112.2095 37.41206 2.999777       2.314456  2.505877       2.662453  4.527349       4.682346  108.8866 39.83691 142.2480 52.69578 -33.36134      66.05925 
1 1 1 -18 30 6  o 254.9100 23.67086 15.74412       2.805974  15.74412       2.805974  0.000000       0.000000  254.9100 23.67086 ?        ?        0.000000       23.67086 
1 1 1 -18 30 7  o 143.0360 32.26392 5.201575       2.119160  6.823230       2.382400  -0.9441142     4.637893  164.3734 31.96252 104.7534 46.64331 59.62003       56.54380 
1 1 1 -18 30 8  o 253.8730 18.93987 15.47682       2.245564  16.00162       2.481727  13.10642       5.274323  257.6719 20.64816 219.7652 51.85649 37.90671       55.81615 
1 1 1 -18 30 9  o 295.8641 19.02878 21.01442       2.634285  23.18357       3.066278  14.90190       5.147275  310.0955 21.14687 236.2035 47.96310 73.89194       52.41802 
1 1 1 -18 30 10 o 277.4138 42.62557 20.04162       5.384499  0.000000       0.000000  20.04162       5.384499  ?        ?        277.4138 42.62557 0.000000       42.62557 
1 1 1 -18 30 11 o 229.8651 32.34718 13.32281       3.400911  13.44828       4.714427  13.18668       4.910810  223.6088 46.34242 219.9723 48.74097 3.636505       67.25549 
1 1 1 -17 1  1  f 380.4210 19.54505 34.25101       3.485791  39.59572       5.157437  29.75624       4.729608  408.0124 27.02448 353.1662 28.71802 54.84619       39.43408 
1 1 1 -17 1  2  o 139.9557 38.89693 4.810459       2.652980  6.337694       3.875109  3.463139       3.639706  161.1636 47.73128 130.1264 46.72448 31.03717       66.79411 
1 1 1 -17 1  3  o 306.0044 21.01526 22.21632       3.006709  21.65199       3.696065  23.32045       5.169899  301.3225 26.34056 311.0353 36.00024 -9.712799      44.60765 
1 1 1 -17 1  4  o 822.4528 13.13820 159.3335       5.082955  165.5801       7.626824  154.3418       6.817791  837.6919 19.35486 808.9507 17.91646 28.74115       26.37443 
1 1 1 -17 1  5  o 388.6173 12.72124 35.56596       2.325523  33.27716       3.145736  38.32421       3.453313  375.6768 17.80077 403.1371 18.21016 -27.46039      25.46522 
1 1 1 -17 1  6  o 881.6021 11.94662 182.9869       4.954355  191.8013       7.241753  175.2316       6.792807  902.1152 17.06524 862.3010 16.74638 39.81415       23.90949 
1 1 1 -17 1  7  o 314.5273 11.54400 23.28766       1.707985  22.56476       2.327388  24.13136       2.514340  309.0681 16.06368 319.5841 16.78388 -10.51596      23.23232 
1 1 1 -17 1  8  o 1058.941 12.17654 263.9782       6.065478  280.1373       8.986143  250.4548       8.220645  1090.354 17.52010 1031.032 16.94979 59.32178       24.37723 
1 1 1 -17 1  9  o 374.4769 10.45687 33.00366       1.842027  28.70372       2.440641  38.69471       2.807821  349.1195 14.86143 405.3553 14.72530 -56.23575      20.92120 
1 1 1 -17 1  10 o 1553.745 31.52857 571.0464       23.04375  571.0464       23.04375  0.000000       0.000000  1553.745 31.52857 ?        ?        0.000000       31.52857 
1 1 1 -17 1  11 o 1161.777 14.99236 317.8789       8.193359  317.0897       9.931844  319.5601       14.49656  1159.969 18.20180 1163.207 26.49347 -3.237915      32.14358 
1 1 1 -17 1  12 o 647.9355 10.49930 98.81145       3.200084  93.87238       4.356769  104.5979       4.715721  631.3238 14.67044 666.3916 15.04351 -35.06781      21.01259 
1 1 1 -17 1  13 o 370.9722 16.46382 32.42963       2.873037  0.000000       0.000000  32.42963       2.873037  ?        ?        370.9722 16.46382 0.000000       16.46382 
1 1 1 -17 1  14 o 587.5057 11.29086 81.26269       3.120388  80.02248       4.307234  82.63251       4.526734  582.7368 15.71291 592.1245 16.25184 -9.387756      22.60571 
1 1 1 -17 1  15 o 601.2750 14.81040 85.19469       4.188989  83.73960       6.016608  86.56362       5.835780  595.4938 21.47856 605.5607 20.48669 -10.06696      29.68220 
1 1 1 -17 1  16 o 768.5671 12.39758 139.1435       4.482168  141.4592       6.474392  137.0121       6.211277  774.3160 17.77508 762.1069 17.32590 12.20905       24.82217 
1 1 1 -17 1  17 o 660.6196 12.84810 102.8409       3.992636  107.3873       5.886264  98.96664       5.433726  674.3709 18.55546 647.4875 17.84009 26.88336       25.74051 
1 1 1 -17 1  18 o 608.5747 13.28250 87.32002       3.802445  90.26946       5.466759  84.55570       5.292416  618.0207 18.80432 598.1409 18.80967 19.87982       26.59711 
1 1 1 -17 1  19 o 303.4330 23.04931 21.96938       3.265365  20.87099       6.252566  22.38130       3.829011  289.0992 47.63666 305.4970 26.91978 -16.39780      54.71678 
1 1 1 -17 1  20 o 304.4361 18.63602 22.03727       2.655967  20.66511       3.766328  23.39464       3.745963  292.8419 27.66894 312.2146 25.73522 -19.37277      37.78719 
1 1 1 -17 1  21 o 328.4005 18.36403 25.66562       2.825514  26.70262       4.136477  24.75854       3.868710  332.8818 26.63944 320.6840 25.86603 12.19781       37.13100 
1 1 1 -17 1  22 o 361.1147 25.75616 31.47407       4.346490  31.47407       4.346490  0.000000       0.000000  361.1147 25.75616 ?        ?        0.000000       25.75616 
1 1 1 -17 1  23 o 91.85765 37.87795 0.8355961      2.647894  2.278835       4.178666  -0.1327420     3.422804  120.4656 48.34749 94.87008 41.21857 25.59548       63.53307 
1 1 1 -17 1  24 f 72.39273 32.89478 -1.223078      2.442956  -0.4291104E-01 3.487086  -2.360605      3.423513  95.56947 41.56323 81.43865 37.71023 14.13081       56.12098 
1 1 1 -17 1  25 o 140.8317 38.15753 5.232728       2.590674  6.277317       3.767507  4.295763       3.568149  152.2620 47.46950 131.2589 46.35466 21.00305       66.34839 
1 1 1 -17 1  26 o 135.2992 52.81321 4.278502       4.859103  8.382878       6.834057  0.8216409E-01  6.910193  169.3657 63.47971 125.3281 56.28566 44.03761       84.83955 
1 1 1 -17 1  27 o 114.7912 40.16570 3.334122       2.674720  3.247620       3.884240  3.412129       3.688588  120.4336 47.16143 120.7184 46.31336 -0.2848129     66.09938 
1 1 1 -17 1  28 o 224.6856 29.18612 12.93488       3.011904  16.60214       4.455701  9.849296       4.087082  247.0492 39.68444 183.9546 47.04527 63.09464       61.54764 
1 1 1 -17 1  29 o 230.5281 34.52695 14.19785       3.628904  14.29846       5.557633  14.12307       4.791304  212.0333 55.18634 218.2670 47.97385 -6.233688      73.12334 
1 1 1 -17 1  30 o 104.1102 40.06000 2.613024       2.764936  4.308104       3.979812  1.031547       3.844137  124.4217 48.00954 99.80214 43.51795 24.61954       64.79759 
1 1 1 -17 1  31 o 98.61339 40.05933 2.118605       2.906676  0.7866988      4.131899  3.423473       4.089746  98.56454 43.94631 114.9822 47.20390 -16.41771      64.49408 
1 1 1 -17 1  32 o 219.6917 47.90014 15.89913       4.810580  7.826993       6.432311  26.14447       7.246629  138.6009 58.23571 262.3091 60.02771 -123.7082      83.63447 
1 1 1 -17 1  33 o 99.31848 44.35526 1.996622       4.227743  1.143876       5.885940  2.905470       6.076476  102.3629 48.06993 109.2799 50.47444 -6.916977      69.70213 
1 1 1 -17 1  34 o 219.2698 64.37111 24.64923       7.074880  24.64923       7.074880  0.000000       0.000000  219.2698 64.37111 ?        ?        0.000000       64.37111 
1 1 1 -17 3  1  o 426.1481 18.71767 42.84026       3.752163  44.08443       5.553781  41.79549       5.089310  430.6834 27.55779 419.5627 25.91337 11.12070       37.82769 
1 1 1 -17 3  2  o 187.7427 48.16036 8.769323       4.273995  8.769323       4.273995  0.000000       0.000000  187.7427 48.16036 ?        ?        0.000000       48.16036 
1 1 1 -17 3  3  o 580.3583 13.25021 79.33155       3.617331  86.11888       4.717813  69.64923       5.634832  604.4330 16.59294 543.1111 22.05581 61.32184       27.60044 
1 1 1 -17 3  4  o 771.3065 12.24649 140.0825       4.443322  135.5877       5.320351  150.4459       8.078573  758.6248 14.90884 798.3890 21.51052 -39.76422      26.17204 
1 1 1 -17 3  5  o 276.2334 15.33279 18.03149       1.984525  15.72693       3.059525  19.70533       2.607455  256.7340 25.67823 288.4321 19.32964 -31.69809      32.14042 
1 1 1 -17 3  6  o 1118.169 19.40098 294.7798       10.20470  0.000000       0.000000  294.7798       10.20470  ?        ?        1118.169 19.40098 0.000000       19.40098 
1 1 1 -17 3  7  o 69.66966 26.52334 0.7925195      1.203940  1.000612       1.645313  0.5526753      1.766382  80.28730 30.89987 76.92943 31.23644 3.357872       43.93766 
1 1 1 -17 3  8  o 1065.826 12.39693 267.4198       6.215407  273.8015       8.689837  260.7355       8.893529  1078.037 17.13597 1051.911 17.97321 26.12512       24.83300 
1 1 1 -17 3  9  o 765.6397 10.49831 137.9611       3.781055  138.4991       5.182408  137.3487       5.528825  766.9246 14.36513 763.6675 15.39073 3.257080       21.05307 
1 1 1 -17 3  10 o 1324.950 16.33066 413.5200       10.17824  426.2783       17.84522  407.3684       12.39143  1343.210 28.24287 1314.554 20.03888 28.65552       34.62970 
1 1 1 -17 3  11 o 906.1957 13.26322 193.3477       5.653796  199.8911       6.965130  180.7075       9.680583  921.1760 16.07375 875.0907 23.51685 46.08533       28.48522 
1 1 1 -17 3  12 f 687.0950 10.55422 111.1184       3.411240  111.4088       4.794893  110.8208       4.854095  687.7516 14.82102 685.9195 15.04409 1.832153       21.11841 
1 1 1 -17 3  13 o 443.0103 11.02789 46.19999       2.298136  51.73322       3.370397  41.39205       3.141746  468.6026 15.28998 419.1287 15.93509 49.47394       22.08417 
1 1 1 -17 3  14 o 1079.677 14.68310 274.6411       7.457291  269.1341       9.143355  285.5827       12.88805  1068.312 18.19442 1099.219 24.92491 -30.90674      30.85916 
1 1 1 -17 3  15 o 1100.952 13.49943 285.5476       6.991227  283.9530       9.828340  287.1810       9.946902  1096.997 19.04608 1103.192 19.16759 -6.194946      27.02128 
1 1 1 -17 3  16 o 305.2957 26.07819 22.23098       3.709207  27.85969       4.689129  12.82105       6.062905  341.4249 29.48559 225.4944 57.09945 115.9305       64.26311 
1 1 1 -17 3  17 o 343.3944 16.71748 27.82658       2.700433  30.88585       4.856799  26.45759       3.248935  359.4655 28.96846 333.9052 20.78777 25.56036       35.65534 
1 1 1 -17 3  18 o 710.1443 15.36036 119.0082       5.131181  125.4162       10.13797  116.8013       5.949511  725.7213 29.69696 703.0956 17.98861 22.62567       34.72030 
1 1 1 -17 3  19 o 651.6271 13.46773 100.1848       4.128220  92.96632       5.706549  108.1101       5.979372  626.6657 19.35835 675.9041 18.80621 -49.23840      26.98924 
1 1 1 -17 3  20 f 363.5657 21.03869 31.48853       3.582702  31.59923       4.132272  31.15339       7.189866  363.4368 24.31100 354.1871 44.10952 9.249695       50.36541 
1 1 1 -17 3  21 o 479.2013 15.22387 54.34690       3.431724  66.31070       5.315188  45.79463       4.493916  527.7282 21.41110 438.4618 21.78832 89.26642       30.54777 
1 1 1 -17 3  22 o 352.0920 18.25665 29.55589       3.013377  32.80698       4.463282  26.83264       4.084926  368.5509 25.90941 333.0047 26.29126 35.54626       36.91244 
1 1 1 -17 3  23 o 224.3232 27.45688 12.35941       2.836825  12.59810       4.960733  12.24343       3.458050  217.1688 49.64251 220.6788 34.43654 -3.509995      60.41733 
1 1 1 -17 3  24 o 439.0132 17.12707 45.98510       3.536958  46.63808       5.228864  45.43431       4.802340  437.6742 25.50784 432.9943 23.66734 4.679962       34.79644 
1 1 1 -17 3  25 o 332.5028 23.81061 26.99944       3.699566  32.28300       8.378799  25.71992       4.123264  339.9408 54.21889 322.5577 27.43520 17.38306       60.76495 
1 1 1 -17 3  26 o 188.5262 32.08622 9.153322       2.743572  9.109365       4.038423  9.191000       3.738864  179.9816 47.13919 182.5297 44.04915 -2.548126      64.51690 
1 1 1 -17 3  27 o 127.8331 46.20542 4.246320       3.566159  3.869131       4.116660  5.380500       7.138490  126.7257 48.84772 148.6153 61.81306 -21.88956      78.78423 
1 1 1 -17 3  28 o 244.0852 27.11073 15.07941       3.060215  13.98054       4.117272  16.43579       4.574317  225.8844 40.22289 244.4180 41.25403 -18.53365      57.61750 
1 1 1 -17 3  29 o 236.2810 27.17202 14.26083       2.965110  16.45054       4.337413  12.33974       4.062657  244.4341 39.03577 207.9088 42.96098 36.52528       58.04685 
1 1 1 -17 3  30 o 85.99704 38.20973 0.1763110E-01  3.095714  3.585018       5.253204  -1.880353      3.831735  123.4208 52.28299 84.21052 39.29808 39.21027       65.40527 
1 1 1 -17 3  31 o 119.6029 45.88994 4.182684       3.621676  -4.827587      7.170470  7.268489       4.196265  99.85790 48.49645 147.0743 50.37118 -47.21639      69.92254 
1 1 1 -17 3  32 o 170.5532 44.59269 9.444482       3.617960  24.46790       6.925430  3.805250       4.242994  254.5151 58.99570 114.2339 47.59614 140.2812       75.80162 
1 1 1 -17 3  33 o 125.3080 50.11505 6.114199       4.472606  4.375743       6.122612  8.103449       6.549371  114.7036 52.10337 130.9235 56.94992 -16.21986      77.18844 
1 1 1 -17 3  34 o 90.23479 43.35798 -0.3495839     5.365607  -0.3495839     5.365607  0.000000       0.000000  90.23479 43.35798 ?        ?        0.000000       43.35798 
1 1 1 -17 5  1  o 465.8766 14.75672 51.12141       3.233927  57.10464       6.390391  49.06161       3.749490  490.7171 27.79809 456.2635 17.46977 34.45361       32.83179 
1 1 1 -17 5  2  o 741.4458 16.78635 129.5363       5.854705  129.5363       5.854705  0.000000       0.000000  741.4458 16.78635 ?        ?        0.000000       16.78635 
1 1 1 -17 5  3  o 1312.858 15.52059 406.0065       9.585073  393.3049       11.15948  441.7361       18.71667  1291.768 18.36497 1366.805 29.11070 -75.03687      34.41954 
1 1 1 -17 5  4  o 822.8145 12.19978 159.3803       4.721971  156.3773       5.786050  165.3686       8.170677  814.8310 15.09542 837.4167 20.74183 -22.58575      25.65337 
1 1 1 -17 5  5  o 255.9141 16.35646 15.49046       1.958737  12.24913       3.086796  17.67539       2.534340  225.6989 29.80326 273.1035 19.86338 -47.40457      35.81603 
1 1 1 -17 5  6  o 1194.467 13.82333 335.9300       7.767052  324.5836       10.22253  351.4257       11.94637  1173.627 18.51650 1220.886 20.80135 -47.25952      27.84883 
1 1 1 -17 5  7  o 822.1580 11.53734 159.0976       4.462006  156.1877       5.825499  163.2279       6.940359  814.3879 15.20661 832.3528 17.72577 -17.96484      23.35474 
1 1 1 -17 5  8  o 305.8077 14.31554 22.01987       2.059327  22.01987       2.059327  0.000000       0.000000  305.8077 14.31554 ?        ?        0.000000       14.31554 
1 1 1 -17 5  9  o 854.2629 13.34044 171.8089       5.360817  169.3817       8.334284  173.5218       7.001403  847.6067 20.90281 858.2225 17.34267 -10.61578      27.16055 
1 1 1 -17 5  10 o 902.5972 15.99263 191.8944       6.790208  195.6599       9.482249  187.9310       9.728079  910.8013 22.13189 892.5111 23.17097 18.29022       32.04238 
1 1 1 -17 5  11 o 325.2638 12.34264 24.90680       1.888483  25.20622       2.404892  24.42516       3.050087  327.1206 15.62854 321.2120 20.29032 5.908569       25.61149 
1 1 1 -17 5  12 o 516.7875 12.63497 62.88229       3.071536  64.38303       3.595447  58.82878       5.909013  522.8232 14.61937 498.4191 25.28574 24.40405       29.20778 
1 1 1 -17 5  13 o 1556.916 16.14516 571.2220       11.82433  615.1634       17.90985  537.2695       15.74316  1613.929 23.59055 1508.649 22.18372 105.2800       32.38258 
1 1 1 -17 5  14 o 1268.374 14.33486 379.0263       8.552835  373.1702       11.79940  385.5095       12.41515  1257.542 19.94658 1278.013 20.65129 -20.47168      28.71135 
1 1 1 -17 5  15 o 362.1971 13.68280 30.90911       2.331253  34.12120       3.573623  28.52951       3.075864  379.6453 20.08208 347.1909 18.90466 32.45447       27.58036 
1 1 1 -17 5  16 o 207.9509 21.74596 10.33226       2.095738  13.93876       4.050100  9.013478       2.449118  238.9608 37.24444 193.0385 27.77035 45.92233       46.45795 
1 1 1 -17 5  17 o 189.3723 22.59818 8.607153       1.973311  5.922832       3.067920  10.50137       2.577163  154.3773 41.39660 208.6810 26.87846 -54.30374      49.35716 
1 1 1 -17 5  18 o 228.5041 23.54639 12.51190       2.494721  23.03508       6.203084  10.48142       2.724794  305.5059 44.46851 207.9396 28.61461 97.56628       52.87953 
1 1 1 -17 5  19 o 663.8663 13.33156 104.0032       4.163235  108.6931       6.358373  100.4837       5.508139  677.2733 19.95780 651.6529 17.96881 25.62042       26.85502 
1 1 1 -17 5  20 f 221.5169 21.69588 11.77528       2.231733  14.58900       3.488081  9.825096       2.903909  244.5153 31.02373 199.7072 31.99142 44.80811       44.56369 
1 1 1 -17 5  21 o 496.6357 16.03919 58.44008       3.747052  64.31406       5.352411  52.79430       5.247413  519.3516 21.90880 469.3857 23.84376 49.96588       32.38087 
1 1 1 -17 5  22 o 666.4075 14.49022 105.2209       4.542387  109.9012       6.768023  101.3847       6.127449  678.2421 21.21328 652.0051 19.97834 26.23706       29.13996 
1 1 1 -17 5  23 o 206.3481 26.42427 10.46294       2.505995  6.952874       3.901945  12.92721       3.269392  162.0884 47.86766 227.8824 31.32766 -65.79393      57.20783 
1 1 1 -17 5  24 o 271.7464 23.38242 17.97612       2.959870  14.70274       5.207668  19.53816       3.597424  232.7019 49.11728 281.6123 27.50755 -48.91039      56.29541 
1 1 1 -17 5  25 o 280.4706 21.12111 19.10617       2.766137  22.05035       4.497237  17.31453       3.508239  295.0464 32.96662 263.3862 28.78425 31.66019       43.76450 
1 1 1 -17 5  26 o 148.5329 37.15593 5.903115       2.589565  6.791603       3.836082  5.159256       3.510000  155.4972 47.80479 138.1760 46.07251 17.32123       66.39258 
1 1 1 -17 5  27 o 72.93092 34.72723 -3.380534      3.277895  0.000000       0.000000  -3.380534      3.277895  ?        ?        72.93092 34.72723 0.000000       34.72723 
1 1 1 -17 5  28 o 122.6205 39.43023 4.077766       2.581717  3.863819       3.952833  4.236926       3.409354  124.3713 47.88668 125.8764 45.21929 -1.505150      65.86288 
1 1 1 -17 5  29 o 196.6050 33.27139 10.31888       2.967281  17.55314       4.584575  5.103699       3.892570  251.3041 40.13220 133.2984 48.25946 118.0056       62.76599 
1 1 1 -17 5  30 o 218.8185 32.54314 12.87321       3.247770  9.546031       4.782187  15.72154       4.424697  169.0246 53.59253 233.2626 41.86281 -64.23801      68.00481 
1 1 1 -17 5  31 o 98.84884 41.40888 1.925291       3.236366  1.108502       6.070273  2.249665       3.825398  111.1186 51.00431 104.8872 44.53397 6.231346       67.71052 
1 1 1 -17 5  32 o 90.09447 39.35813 1.115053       3.157418  -4.060642      5.582227  3.549843       3.828722  87.94050 42.72740 110.9130 45.61922 -22.97250      62.50395 
1 1 1 -17 5  33 o 89.93808 43.11292 -1.425089      5.235843  -1.425089      5.235843  0.000000       0.000000  89.93808 43.11292 ?        ?        0.000000       43.11292 
1 1 1 -17 5  34 o 66.90540 33.71734 -9.233057      4.925357  -9.233057      4.925357  0.000000       0.000000  66.90540 33.71734 ?        ?        0.000000       33.71734 
1 1 1 -17 7  1  o 1123.759 27.38710 298.1570       14.47733  0.000000       0.000000  298.1570       14.47733  ?        ?        1123.759 27.38710 0.000000       27.38710 
1 1 1 -17 7  2  o 762.0704 15.90887 136.7699       5.703006  144.2203       7.440567  126.1593       8.879390  782.2413 20.22069 731.1431 25.81734 51.09821       32.79346 
1 1 1 -17 7  3  o 777.3861 17.73108 142.3665       6.483974  120.5410       11.69567  152.0511       7.790835  713.6895 34.83748 803.1659 20.62099 -89.47644      40.48302 
1 1 1 -17 7  4  o 915.7874 18.90557 197.6136       8.144301  197.6136       8.144301  0.000000       0.000000  915.7874 18.90557 ?        ?        0.000000       18.90557 
1 1 1 -17 7  5  o 1337.526 14.71476 421.2276       9.258160  416.2023       10.79582  435.1963       17.99907  1329.251 17.26551 1357.551 28.18543 -28.29993      33.05323 
1 1 1 -17 7  6  o 148.7422 22.20573 5.330866       1.506120  3.837949       2.059573  7.046916       2.208128  125.3415 34.04799 170.4632 28.54689 -45.12170      44.43187 
1 1 1 -17 7  7  o 124.1170 24.71862 3.762846       1.392485  3.362787       1.692899  4.599751       2.448539  117.1348 30.44404 137.0968 37.07531 -19.96201      47.97309 
1 1 1 -17 7  8  o 237.7575 14.08564 13.35616       1.568340  15.04363       1.875339  9.430128       2.860486  252.2381 15.88636 197.2310 31.92233 55.00700       35.65686 
1 1 1 -17 7  9  o 263.4439 15.87149 16.40574       1.957685  17.91915       2.583521  14.36491       3.000124  274.9773 20.11266 245.2508 26.42228 29.72655       33.20626 
1 1 1 -17 7  10 o 668.4035 10.83053 105.1532       3.405318  103.8033       4.299471  107.4253       5.578102  663.9557 13.76596 675.1993 17.56245 -11.24359      22.31460 
1 1 1 -17 7  11 o 687.7027 10.83308 111.3197       3.504467  118.3657       4.818910  103.4103       5.105640  708.9221 14.45044 662.4965 16.38315 46.42566       21.84543 
1 1 1 -17 7  12 o 916.2983 13.73197 197.7405       5.918875  197.3866       6.995055  198.6326       11.10602  915.2327 16.24764 916.8179 25.75172 -1.585144      30.44892 
1 1 1 -17 7  13 o 943.6550 13.64579 209.7507       6.057329  206.8156       7.385028  215.7848       10.58877  936.6799 16.76068 955.7460 23.55233 -19.06616      28.90731 
1 1 1 -17 7  14 o 406.0516 12.48359 38.83294       2.384460  37.59442       3.331514  40.13377       3.414280  399.2439 17.73920 412.5165 17.59497 -13.27258      24.98524 
1 1 1 -17 7  15 o 539.7292 12.02413 68.61584       3.052804  72.26740       4.471110  65.42678       4.178375  553.4855 17.17275 526.6664 16.86563 26.81909       24.06975 
1 1 1 -17 7  16 f 239.7885 17.61840 13.64530       1.973387  12.10777       2.996815  14.82242       2.622145  223.9541 29.13670 249.2879 22.60662 -25.33379      36.87827 
1 1 1 -17 7  17 o 538.3706 17.11770 68.44989       4.335070  0.000000       0.000000  68.44989       4.335070  ?        ?        538.3706 17.11770 0.000000       17.11770 
1 1 1 -17 7  18 o 1010.278 13.76450 240.8339       6.541401  261.8116       10.16508  226.0065       8.546026  1051.287 20.55513 977.3939 18.58768 73.89288       27.71309 
1 1 1 -17 7  19 o 846.6561 13.33439 169.2266       5.310672  172.5554       7.943385  166.5362       7.141328  853.0383 19.79556 838.5872 18.10345 14.45111       26.82534 
1 1 1 -17 7  20 o 750.8746 13.66267 133.2461       4.825832  134.3041       7.146657  132.3594       6.542773  751.7184 20.21056 746.8423 18.62360 4.876099       27.48282 
1 1 1 -17 7  21 o 107.4845 42.57633 1.761459       3.198942  4.295109       3.623850  -7.181927      6.808444  135.2421 46.78413 105.7447 50.26511 29.49739       68.66831 
1 1 1 -17 7  22 o 89.76643 34.56348 1.396714       2.059306  -0.1081047     3.515724  2.182661       2.540792  96.38531 41.82548 104.1524 38.77110 -7.767120      57.03130 
1 1 1 -17 7  23 o 502.6827 15.21222 60.06053       3.597128  56.47925       5.258041  63.21123       4.931830  484.1800 23.08595 513.5543 20.41514 -29.37430      30.81784 
1 1 1 -17 7  24 o 334.4070 21.45054 27.06444       3.356496  17.54756       6.963854  29.94438       3.830840  245.4360 60.66426 350.9229 23.33978 -105.4868      64.99921 
1 1 1 -17 7  25 o 170.0402 31.46967 7.419686       2.424465  3.381692       3.621016  10.70090       3.264113  122.0083 46.10618 202.9756 35.47791 -80.96725      58.17613 
1 1 1 -17 7  26 o 279.0032 21.92042 19.05726       2.853754  22.25303       4.483819  16.88130       3.699866  294.7222 32.90353 257.4097 31.19254 37.31247       45.33891 
1 1 1 -17 7  27 o 437.4021 19.10370 46.34549       3.930679  46.09933       5.455732  46.61118       5.667982  429.2206 27.16116 430.6709 28.13237 -1.450226      39.10446 
1 1 1 -17 7  28 o 179.4130 43.22350 9.158515       3.604695  5.351911       4.014129  25.01487       8.192644  137.4843 49.10042 274.1428 64.59078 -136.6585      81.13458 
1 1 1 -17 7  29 o 311.8264 23.60760 24.34750       3.437184  16.07072       4.935140  32.14441       4.789937  233.6291 46.54058 353.1320 29.09418 -119.5029      54.88622 
1 1 1 -17 7  30 o 220.3941 36.49067 13.51325       3.650759  6.346611       6.559826  16.72897       4.394135  140.4263 58.89637 242.0351 39.99123 -101.6088      71.19046 
1 1 1 -17 7  31 o 111.6369 45.34810 3.325587       3.724659  0.000000       0.000000  3.325587       3.724659  ?        ?        111.6369 45.34810 0.000000       45.34810 
1 1 1 -17 7  32 o 105.1123 42.46818 3.102744       3.247622  -1.200357      5.508008  5.395946       4.020916  95.17596 45.23230 124.5450 48.20098 -29.36907      66.10065 
1 1 1 -17 7  33 o 127.1094 48.87699 6.432908       4.114109  5.523187       5.767807  7.375149       5.869998  117.2668 52.12689 126.2640 54.41739 -8.997154      75.35560 
1 1 1 -17 9  1  o 112.6196 40.87445 2.466915       2.794899  4.261987       3.813110  0.3828776      4.108574  140.0274 48.01580 110.6884 46.52705 29.33901       66.86018 
1 1 1 -17 9  2  o 1179.773 16.97709 327.7998       9.421739  329.3382       11.89380  325.2081       15.43739  1182.082 21.38966 1173.778 27.95879 8.303345       35.20243 
1 1 1 -17 9  3  o 285.4754 15.45591 19.24534       2.067816  19.46786       3.265051  19.09632       2.671972  286.2628 24.48238 283.9642 20.13371 2.298615       31.69784 
1 1 1 -17 9  4  o 716.3349 12.32308 120.7767       4.152452  114.4421       5.138500  132.6992       7.049560  697.1425 15.66915 750.4221 19.97042 -53.27960      25.38385 
1 1 1 -17 9  5  o 317.0909 13.71825 23.67027       2.046217  20.14474       2.614643  29.24198       3.286958  291.7737 19.15650 351.6987 19.95015 -59.92508      27.65827 
1 1 1 -17 9  6  o 1179.703 13.64559 327.6358       7.572409  320.8666       8.735629  348.0975       15.18785  1167.256 15.90958 1214.393 26.58690 -47.13733      30.98351 
1 1 1 -17 9  7  o 600.2568 10.67352 84.79599       3.013798  83.56264       3.494467  88.37694       5.954414  595.8101 12.46820 612.2928 20.67334 -16.48273      24.14214 
1 1 1 -17 9  8  o 1295.881 17.67218 395.6676       10.77270  453.9240       19.30642  369.3292       12.98150  1385.816 29.61605 1251.397 22.05262 134.4182       36.92463 
1 1 1 -17 9  9  o 547.5148 11.05127 70.55849       2.846278  73.41557       3.478970  64.77478       4.949862  558.4007 13.24450 524.1538 20.07544 34.24689       24.05078 
1 1 1 -17 9  10 o 872.8269 14.49205 179.4262       5.950140  190.5767       9.232964  171.5059       7.781516  898.7641 21.83867 852.8872 19.39561 45.87689       29.20816 
1 1 1 -17 9  11 o 808.9103 13.37147 154.0947       5.088019  154.8797       5.774032  151.3674       10.76232  810.8241 15.13851 799.9197 28.60159 10.90436       32.36086 
1 1 1 -17 9  12 o 1064.499 15.01899 266.9879       7.520652  258.4264       8.517842  297.2652       16.01822  1046.994 17.29482 1120.204 30.39821 -73.20996      34.97374 
1 1 1 -17 9  13 o 302.4308 14.82882 21.55361       2.109609  20.92056       2.713577  22.52077       3.354055  297.1142 19.52423 307.8382 23.33568 -10.72397      30.42613 
1 1 1 -17 9  14 o 687.0001 16.16163 111.2932       5.222895  111.2932       5.222895  0.000000       0.000000  687.0001 16.16163 ?        ?        0.000000       16.16163 
1 1 1 -17 9  15 o 454.9626 12.29072 48.76814       2.630404  46.94655       3.719372  50.59086       3.720534  445.9717 17.72936 463.0170 17.08201 -17.04529      24.61961 
1 1 1 -17 9  16 o 470.3041 12.46625 52.13177       2.757934  56.62279       4.141101  48.55206       3.697160  489.5928 17.98090 453.4292 17.33363 36.16354       24.97534 
1 1 1 -17 9  17 o 291.5312 17.75659 20.16537       2.423477  18.78716       4.604857  20.69334       2.850121  277.5249 36.12980 294.8871 20.67731 -17.36215      41.62827 
1 1 1 -17 9  18 o 643.5691 12.81728 97.73216       3.880257  103.4101       5.917753  93.44989       5.139252  660.7108 19.04040 628.4585 17.38417 32.25232       25.78268 
1 1 1 -17 9  19 o 395.3475 14.78567 36.95467       2.749725  35.36386       4.346087  38.01653       3.550757  384.3477 24.16132 400.3337 18.85513 -15.98593      30.64776 
1 1 1 -17 9  20 o 594.2736 14.61284 83.57767       4.084983  89.31947       5.956119  78.47801       5.613198  612.4654 20.67343 574.0546 20.78681 38.41077       29.31693 
1 1 1 -17 9  21 o 210.4159 23.20045 10.72911       2.258206  9.604011       3.799728  11.34350       2.807882  192.5755 43.02911 214.8888 28.47930 -22.31334      51.60014 
1 1 1 -17 9  22 o 207.7759 23.77620 10.51748       2.282007  8.939157       3.774821  11.42651       2.864758  184.2598 44.13262 214.9221 29.08292 -30.66223      52.85361 
1 1 1 -17 9  23 o 270.3778 20.37839 17.64143       2.572799  21.09877       4.533510  15.99897       3.124723  289.7272 33.90532 255.2091 26.41048 34.51811       42.97771 
1 1 1 -17 9  24 o 113.7929 36.72081 3.260024       2.237610  5.235570       3.845237  2.248528       2.751448  141.5268 48.21955 105.2065 40.08591 36.32028       62.70570 
1 1 1 -17 9  25 o 300.9912 22.33950 22.12780       3.140418  16.55173       6.056863  24.17797       3.672641  238.6898 55.06565 313.1797 25.14154 -74.48990      60.53366 
1 1 1 -17 9  26 o 125.5235 40.43920 4.179235       2.714570  7.853086       4.282990  1.712545       3.509487  164.9088 50.48195 105.8725 43.62622 59.03631       66.72086 
1 1 1 -17 9  27 o 71.21811 32.42517 -1.040562      2.388696  0.3032740      3.725059  -1.979065      3.112991  97.35972 42.63511 76.86400 35.71925 20.49572       55.62030 
1 1 1 -17 9  28 o 67.33376 31.58843 -2.020537      2.530893  -3.291388      3.885390  -1.083879      3.335629  80.44593 38.16091 83.85064 38.23092 -3.404709      54.01720 
1 1 1 -17 9  29 o 65.18298 31.27541 -3.147515      2.769656  7.089775       5.888435  -6.055754      3.138502  148.1134 58.04918 60.47897 29.91038 87.63440       65.30190 
1 1 1 -17 9  30 o 149.9593 42.27245 6.786297       3.110301  9.001190       6.274810  6.064837       3.581213  154.9429 60.14432 139.0936 46.53884 15.84929       76.04737 
1 1 1 -17 9  31 o 82.44304 37.35351 -0.2075476     3.121927  -1.817777      5.668929  0.4933791      3.740188  96.61653 45.90853 92.15577 41.39710 4.460762       61.81677 
1 1 1 -17 9  32 o 98.25961 42.85089 2.025977       3.728271  6.828181       5.836246  -1.284780      4.845928  129.0087 54.89729 89.74395 42.58505 39.26472       69.47805 
1 1 1 -17 9  33 o 75.48882 36.21965 -2.038130      3.714224  -1.233056      5.132087  -2.923603      5.382249  88.07001 42.33945 84.72873 41.34212 3.341278       59.17601 
1 1 1 -17 11 1  o 732.0311 16.37562 126.1944       5.638929  123.0026       7.196142  131.2723       9.076598  722.4115 21.17609 745.9190 25.86796 -23.50751      33.43019 
1 1 1 -17 11 2  o 199.6472 18.67033 9.472216       1.733057  13.53906       3.651886  8.290085       1.968890  236.9528 33.71396 186.1082 22.97771 50.84464       40.79958 
1 1 1 -17 11 3  o 326.3045 13.44154 25.06499       2.063200  36.14250       4.049696  21.18179       2.397708  390.9169 22.11326 299.3973 17.09558 91.51953       27.95094 
1 1 1 -17 11 4  o 337.2595 14.07972 26.77942       2.233713  25.73357       3.085560  27.93103       3.237833  329.8397 19.98091 343.6712 20.11591 -13.83145      28.35290 
1 1 1 -17 11 5  o 1252.583 16.53911 369.5513       9.745138  380.9668       12.73933  353.4483       15.13050  1271.182 21.30441 1223.652 26.28609 47.52966       33.83543 
1 1 1 -17 11 6  o 871.8727 12.14280 178.9359       4.980137  175.1817       5.799557  189.4768       9.718066  862.5434 14.29370 896.2415 23.05077 -33.69812      27.12283 
1 1 1 -17 11 7  o 272.1398 13.53907 17.43755       1.733205  16.16050       1.980203  21.62010       3.583659  261.4267 16.18195 301.5517 25.50270 -40.12500      30.20337 
1 1 1 -17 11 8  o 402.2057 14.36026 38.09691       2.716938  38.18942       3.297406  37.90131       4.794781  402.5730 17.41239 399.8040 25.62983 2.768982       30.98515 
1 1 1 -17 11 9  o 986.2123 12.88142 229.0129       5.975903  228.5882       7.526600  229.7373       9.829508  984.9765 16.24440 986.8437 21.17454 -1.867188      26.68786 
1 1 1 -17 11 10 f 684.7921 11.87968 110.4078       3.826774  111.0109       4.593062  109.0391       6.919701  686.5080 14.22288 679.7310 21.64118 6.776978       25.89654 
1 1 1 -17 11 11 o 319.7379 30.26597 24.43175       4.497992  0.000000       0.000000  24.43175       4.497992  ?        ?        319.7379 30.26597 0.000000       30.26597 
1 1 1 -17 11 12 o 1020.130 14.99944 245.2529       7.197797  246.2203       8.226028  242.0928       14.86786  1021.833 17.11358 1010.177 31.28829 11.65649       35.66275 
1 1 1 -17 11 13 o 375.9950 15.57461 33.33158       2.754663  33.71375       3.048186  31.62901       6.433816  378.0478 17.14058 362.1198 38.35380 15.92795       42.00968 
1 1 1 -17 11 14 o 625.9714 12.06852 92.31609       3.553675  101.8209       4.925759  81.99918       5.131886  656.9968 15.93825 589.2887 18.51312 67.70813       24.42874 
1 1 1 -17 11 15 o 500.5729 12.75059 59.06517       3.002388  59.03223       4.006223  59.10738       4.534767  500.0015 17.03313 500.0441 19.27868 -0.4254150E-01 25.72538 
1 1 1 -17 11 16 o 812.0984 14.51033 155.6473       5.543134  162.4554       9.778497  152.4237       6.728676  826.8492 25.14065 802.9500 17.81443 23.89923       30.81243 
1 1 1 -17 11 17 o 697.5643 14.30597 114.9042       4.694300  141.2010       9.411953  106.1964       5.416039  769.7681 25.99265 670.0231 17.18394 99.74493       31.15936 
1 1 1 -17 11 18 o 81.44572 33.26938 0.6333605      2.018906  -6.031511      4.139117  2.714031       2.312669  78.35857 37.75620 109.5502 37.39508 -31.19162      53.14059 
1 1 1 -17 11 19 o 474.3612 14.51356 53.23461       3.238564  60.63725       4.977485  47.80024       4.264725  504.6750 20.96664 448.2698 20.22471 56.40518       29.13141 
1 1 1 -17 11 20 o 368.5169 15.16392 32.18452       2.628683  38.79911       4.407501  28.53268       3.274887  401.8777 23.41613 345.3945 20.24477 56.48315       30.95425 
1 1 1 -17 11 21 o 338.6073 16.75101 27.26402       2.668128  25.36681       4.249609  28.49855       3.428006  322.2499 28.32158 344.4253 21.26210 -22.17535      35.41453 
1 1 1 -17 11 22 o 315.4778 26.09172 24.29531       3.837296  24.72156       4.379471  22.88645       7.962077  316.5430 29.76110 284.3897 61.32171 32.15332       68.16212 
1 1 1 -17 11 23 o 432.7112 17.17202 44.74195       3.495336  39.03092       7.420028  46.37068       3.962530  388.2900 41.25572 439.6717 19.15909 -51.38165      45.48742 
1 1 1 -17 11 24 o 393.0143 16.32643 36.92800       3.018345  37.83624       4.900571  36.37286       3.831306  391.7146 26.75550 387.4240 21.10237 4.290588       34.07590 
1 1 1 -17 11 25 o 114.6547 36.52528 3.382798       2.219280  5.271230       4.044703  2.569384       2.654555  140.6362 49.38203 106.9363 39.66469 33.69991       63.33934 
1 1 1 -17 11 26 o 197.2261 27.36206 9.823891       2.470144  8.594397       4.077570  10.53666       3.104655  172.9594 48.27688 200.7936 34.08855 -27.83429      59.09895 
1 1 1 -17 11 27 o 236.6981 24.99186 14.02350       2.740601  14.20086       4.495284  13.91859       3.457465  224.9846 44.05169 231.0469 32.72697 -6.062286      54.87811 
1 1 1 -17 11 28 o 73.69931 33.33886 -0.7624865     2.475558  -9.185272      4.006990  4.436975       3.148253  64.37134 32.15446 126.2533 43.61009 -61.88192      54.18255 
1 1 1 -17 11 29 o 215.7278 49.75681 14.47408       4.946244  13.10048       6.650712  16.17420       7.399071  186.5166 63.41618 203.3140 66.84958 -16.79736      92.14379 
1 1 1 -17 11 30 o 138.0631 42.87971 5.869531       3.077467  -1.060939      5.922826  8.432574       3.601850  102.7914 48.25486 163.6555 45.26421 -60.86413      66.16178 
1 1 1 -17 11 32 o 188.1027 56.57100 14.75624       5.412526  0.000000       0.000000  14.75624       5.412526  ?        ?        188.1027 56.57100 0.000000       56.57100 
1 1 1 -17 13 1  o 464.1178 19.14274 50.76052       4.179281  53.01445       5.650384  48.03806       6.209958  473.2827 25.47356 449.9578 29.50248 23.32498       38.97818 
1 1 1 -17 13 2  o 310.1030 14.52346 22.64328       2.118583  23.68577       4.019445  22.24225       2.492998  315.5398 27.35014 306.7834 17.34618 8.756409       32.38704 
1 1 1 -17 13 3  o 604.6443 11.84200 86.05439       3.368174  96.79137       5.709589  80.32361       4.171292  640.8730 18.93929 584.0199 15.18356 56.85315       24.27421 
1 1 1 -17 13 4  o 338.0455 14.40859 26.90927       2.291215  22.13074       2.886535  35.04757       3.767011  305.7292 20.18466 384.9802 20.87932 -79.25095      29.04077 
1 1 1 -17 13 5  o 203.9129 20.34633 9.900708       1.925584  11.75188       2.545810  7.425684       2.943689  221.7541 24.83156 173.7173 37.14792 48.03671       44.68304 
1 1 1 -17 13 6  o 315.1476 14.32008 23.38963       2.122896  24.58182       2.490336  20.21998       4.060606  322.5942 16.46572 290.8505 30.11550 31.74374       34.32293 
1 1 1 -17 13 7  o 1644.310 19.89146 637.5970       15.38579  626.3716       18.62560  661.7123       27.29971  1628.718 24.31056 1670.637 34.73814 -41.91870      42.39979 
1 1 1 -17 13 8  o 756.6959 11.41722 134.7986       4.063974  130.8246       4.487667  152.9132       9.581228  745.3696 12.79911 804.4761 25.31855 -59.10651      28.36981 
1 1 1 -17 13 9  o 301.4867 13.43965 21.40830       1.906011  20.41795       2.048543  27.79132       5.200748  294.0110 14.86015 340.7859 32.84938 -46.77487      36.05421 
1 1 1 -17 13 10 o 919.9601 15.70829 199.4739       6.797780  199.4739       6.797780  0.000000       0.000000  919.9601 15.70829 ?        ?        0.000000       15.70829 
1 1 1 -17 13 11 o 413.9007 13.77378 40.36557       2.681751  41.23133       2.760266  25.79370       11.32430  418.3018 14.02788 316.4612 76.84041 101.8406       78.11037 
1 1 1 -17 13 12 o 334.3928 14.36538 26.35799       2.259661  28.86380       2.558994  17.48739       4.814736  349.8608 15.54908 267.7428 39.40703 82.11795       42.36375 
1 1 1 -17 13 13 o 308.2042 16.95570 22.48824       2.448781  24.71984       2.685188  11.46255       5.968548  323.0839 17.73596 212.8338 58.02233 110.2500       60.67252 
1 1 1 -17 13 14 o 488.9103 13.26954 56.36435       3.051789  60.28326       3.840278  49.64805       5.027414  505.3111 16.15602 457.0359 23.46343 48.27527       28.48771 
1 1 1 -17 13 15 o 692.4821 12.76185 113.0987       4.157110  121.3306       5.934568  105.1679       5.825045  716.3463 17.61152 666.7324 18.57284 49.61383       25.59524 
1 1 1 -17 13 16 o 637.3685 12.85247 95.86398       3.853422  99.63334       5.388192  91.91788       5.513076  648.8300 17.65399 622.9393 18.81391 25.89069       25.79974 
1 1 1 -17 13 17 o 601.2714 13.03874 85.37233       3.687870  88.29607       5.347527  82.72064       5.092673  610.2139 18.62951 590.7110 18.32742 19.50293       26.13337 
1 1 1 -17 13 18 o 300.5780 17.59492 21.50301       2.476943  21.40012       5.097969  21.53481       2.833927  293.7880 37.76297 300.2458 20.18241 -6.457794      42.81789 
1 1 1 -17 13 19 o 596.3637 13.40537 84.13731       3.760620  84.65850       5.752385  83.74831       4.969691  595.8901 20.52166 593.6722 17.79563 2.217896       27.16290 
1 1 1 -17 13 20 o 408.7118 14.56328 39.60669       2.799920  38.36654       4.491827  40.39475       3.580673  398.8340 24.05463 411.7502 18.48679 -12.91614      30.33787 
1 1 1 -17 13 21 o 183.1792 24.37479 8.230020       2.048184  6.589915       3.640932  8.989326       2.477340  157.8858 46.12920 190.2054 28.57116 -32.31956      54.26062 
1 1 1 -17 13 22 o 207.4842 25.90204 10.61618       2.472996  17.85077       6.227115  9.261525       2.694598  253.8878 53.81197 191.7285 30.92962 62.15936       62.06746 
1 1 1 -17 13 23 o 538.7896 14.55592 69.11439       3.689166  66.53469       5.703354  70.97024       4.837461  523.8131 23.14646 543.7140 18.91375 -19.90088      29.89128 
1 1 1 -17 13 24 o 245.4815 20.99813 14.66991       2.401426  12.62391       4.090526  15.74591       2.966423  217.3524 41.52193 252.5070 25.31504 -35.15466      48.63046 
1 1 1 -17 13 25 o 228.4770 28.50435 13.15006       2.996896  16.61415       6.459161  12.19976       3.383082  234.5696 58.68364 216.8456 34.30755 17.72401       67.97630 
1 1 1 -17 13 26 o 183.8961 30.96779 8.746323       2.583684  19.23603       5.769872  6.115451       2.889577  259.6052 49.04541 149.0440 40.26361 110.5612       63.45558 
1 1 1 -17 13 27 o 63.46947 29.58099 -1.605741      2.160062  -1.620607      4.170632  -1.600291      2.525125  91.07836 41.97935 69.66320 32.30307 21.41516       52.96937 
1 1 1 -17 13 28 o 88.95701 37.14452 1.086401       2.592089  9.860286       6.297779  -0.7030826     2.844168  167.6801 61.28053 78.97898 35.73032 88.70109       70.93630 
1 1 1 -17 13 29 o 182.5534 37.30705 9.432818       3.095497  13.81986       6.204926  7.979204       3.571703  192.7171 61.04008 160.7846 45.29097 31.93253       76.00765 
1 1 1 -17 13 30 o 244.8068 30.45230 16.23077       3.431028  12.64863       6.152244  17.84778       4.133514  175.7070 60.94793 250.5107 36.12099 -74.80368      70.84756 
1 1 1 -17 13 31 o 209.0892 40.91700 13.58568       3.880330  10.39834       5.531610  16.67360       5.444654  155.3870 57.33268 211.0898 54.46792 -55.70282      79.08092 
1 1 1 -17 15 1  o 359.0415 22.32326 30.52945       3.751594  27.88107       4.885844  34.33413       5.856101  341.9533 30.70121 379.3703 33.14812 -37.41702      45.18144 
1 1 1 -17 15 2  o 554.8598 12.40719 72.48151       3.238368  68.23315       5.226375  75.12905       4.125826  537.8915 20.65554 564.7475 15.53057 -26.85602      25.84279 
1 1 1 -17 15 3  o 1095.428 18.69710 282.8745       9.634461  0.000000       0.000000  282.8745       9.634461  ?        ?        1095.428 18.69710 0.000000       18.69710 
1 1 1 -17 15 4  o 1003.489 13.59038 237.1409       6.415249  228.0298       7.495303  262.0987       12.40532  983.7648 16.19678 1053.402 25.03481 -69.63757      29.81740 
1 1 1 -17 15 5  o 1337.321 15.57586 421.3646       9.798436  414.1818       11.39568  441.7361       19.19126  1325.444 18.27720 1366.126 29.86369 -40.68225      35.01280 
1 1 1 -17 15 6  o 537.1515 12.31031 67.94039       3.110535  68.00065       3.637538  67.77646       5.999931  537.2773 14.39262 535.6671 23.81124 1.610291       27.82306 
1 1 1 -17 15 7  o 235.7040 24.86872 13.27601       2.715711  11.22467       3.550479  16.16825       4.215858  214.4133 36.51023 258.5161 35.61338 -44.10284      51.00304 
1 1 1 -17 15 8  o 436.7382 11.86421 44.91769       2.437415  46.70020       2.704863  37.21760       5.621820  445.2690 12.91379 395.0354 30.48911 50.23352       33.11120 
1 1 1 -17 15 9  o 240.7489 15.57401 13.72093       1.754289  12.72490       1.852987  22.33056       5.447896  231.6421 17.12677 303.5107 39.06480 -71.86855      42.65425 
1 1 1 -17 15 10 o 633.1747 11.17150 94.42141       3.327395  93.65110       3.622950  98.57314       8.410950  630.5038 12.21533 644.7128 27.73380 -14.20898      30.30476 
1 1 1 -17 15 11 o 222.6314 18.34004 11.78401       1.903595  11.71715       1.939012  13.56421       10.00544  221.9413 18.74804 234.7349 77.76395 -12.79355      79.99200 
1 1 1 -17 15 12 f 815.1725 13.06703 156.6648       5.010667  153.7645       5.880443  164.3519       9.573391  807.2035 15.48666 832.4628 24.44734 -25.25928      28.93975 
1 1 1 -17 15 13 o 466.8257 14.13707 51.42047       3.104442  50.72424       3.400477  54.90488       7.607304  463.4941 15.59647 477.5870 34.08556 -14.09290      37.48434 
1 1 1 -17 15 14 o 480.8229 14.76319 54.59519       3.339141  53.27039       3.628551  61.92034       8.532310  474.7524 16.24788 505.8520 36.09389 -31.09961      39.58235 
1 1 1 -17 15 15 o 358.4859 19.30692 30.55201       3.243773  32.28300       4.235625  28.09684       5.044420  367.3189 24.65646 340.5809 31.85632 26.73804       40.28357 
1 1 1 -17 15 16 o 370.5745 15.95563 32.50087       2.781371  30.56848       3.494221  35.84253       4.594973  358.0194 20.83804 386.5266 25.41336 -28.50720      32.86431 
1 1 1 -17 15 17 o 369.7693 15.21383 32.36987       2.646298  36.53812       3.730027  28.14571       3.754960  391.3465 20.33199 342.5051 23.44713 48.84137       31.03478 
1 1 1 -17 15 18 o 161.9568 31.34856 6.565913       2.301964  2.413304       3.091544  11.73306       3.448580  112.3075 42.56310 216.6066 35.04209 -104.2990      55.13225 
1 1 1 -17 15 19 o 211.5420 24.02349 10.88342       2.348178  7.874555       4.582291  11.95493       2.734512  172.4173 52.09636 220.9644 26.86045 -48.54713      58.61327 
1 1 1 -17 15 20 o 101.4095 43.35891 0.4283425      3.672264  0.8219382      4.345869  -0.5543995     6.867066  111.4422 47.39595 127.7237 56.82159 -16.28147      73.99371 
1 1 1 -17 15 21 o 284.3226 17.57767 19.37210       2.339412  20.70608       3.997688  18.67738       2.884974  289.1310 29.82119 277.6061 22.28015 11.52484       37.22510 
1 1 1 -17 15 22 o 151.6042 29.63360 5.834622       2.037568  6.485887       3.816474  5.574981       2.409739  155.0679 47.68407 146.3168 35.39621 8.751114       59.38570 
1 1 1 -17 15 23 o 143.5588 44.40972 5.516955       3.304716  4.460875       3.734302  9.331154       7.096801  133.3003 47.38446 179.1161 65.11389 -45.81584      80.53015 
1 1 1 -17 15 24 o 83.86526 33.26489 1.125897       1.955152  8.838580       3.799028  -1.652863      2.280318  178.8086 45.15582 66.15279 30.68305 112.6559       54.59394 
1 1 1 -17 15 25 o 185.7900 26.88635 8.706481       2.281440  6.478769       3.980414  9.796383       2.784149  151.3371 48.99072 195.0220 31.41579 -43.68494      58.19831 
1 1 1 -17 15 26 o 140.4990 33.45275 5.269283       2.179163  4.222063       4.103283  5.680676       2.571821  128.5976 48.96367 144.1714 37.54952 -15.57382      61.70419 
1 1 1 -17 15 27 o 114.3384 39.24731 3.487863       2.547916  -2.400119      6.236192  4.667683       2.791541  105.7493 49.60231 128.9575 40.95228 -23.20818      64.32323 
1 1 1 -17 15 28 o 131.9329 39.46870 5.011834       2.639764  -0.3813912     5.746214  6.454484       2.971925  107.1043 49.33233 148.4861 41.13350 -41.38180      64.23117 
1 1 1 -17 15 29 o 79.83317 35.44545 0.5249754E-01  2.659350  -1.001486      4.948049  0.4806122      3.153530  96.29826 44.84445 88.12460 38.88786 8.173660       59.35732 
1 1 1 -17 15 30 o 104.2663 47.05716 1.611772       4.899045  1.611772       4.899045  0.000000       0.000000  104.2663 47.05716 ?        ?        0.000000       47.05716 
1 1 1 -17 17 1  o 965.9075 13.53053 219.7558       6.147798  222.8508       9.722623  217.6940       7.935630  971.6497 21.27181 960.8896 17.55652 10.76001       27.58118 
1 1 1 -17 17 2  o 531.2673 12.94284 66.47463       3.234536  74.87632       5.670080  62.42160       3.938181  563.1786 21.40295 514.6139 16.26840 48.56476       26.88396 
1 1 1 -17 17 3  o 139.6522 30.79544 4.802817       1.968647  3.437606       3.295263  5.560490       2.454885  127.1813 44.57761 150.0040 35.36660 -22.82265      56.90308 
1 1 1 -17 17 4  o 876.4029 12.08696 180.8855       4.982991  180.0751       6.754501  181.8531       7.381148  873.9633 16.42974 878.0772 17.86989 -4.113953      24.27487 
1 1 1 -17 17 5  o 466.7292 13.21647 51.31875       2.901681  46.53690       3.371418  64.98217       5.698941  444.2759 16.13209 524.3232 23.10605 -80.04730      28.18038 
1 1 1 -17 17 6  o 779.0477 15.95140 143.1095       5.845643  136.6094       7.498405  153.1808       9.333667  760.4503 20.96181 804.5795 24.66119 -44.12921      32.36621 
1 1 1 -17 17 7  o 571.7905 12.33192 77.02448       3.316934  77.10171       3.760594  76.75387       7.039266  571.9430 13.97766 569.1262 26.29357 2.816833       29.77796 
1 1 1 -17 17 8  o 410.7796 12.39280 39.75987       2.394681  40.25848       2.632308  37.36623       5.767437  413.2747 13.54031 395.1105 31.28680 18.16418       34.09111 
1 1 1 -17 17 9  o 525.2659 11.65808 65.00793       2.880551  66.87389       3.174274  56.30202       6.856459  532.6658 12.66836 485.4872 30.17221 47.17859       32.72383 
1 1 1 -17 17 10 o 562.9753 12.11420 74.70298       3.208141  74.70298       3.208141  0.000000       0.000000  562.9753 12.11420 ?        ?        0.000000       12.11420 
1 1 1 -17 17 11 f 552.6215 11.62352 71.98533       3.021584  74.89189       3.285840  56.06421       7.690292  563.5834 12.39421 482.5701 34.09711 81.01331       36.27988 
1 1 1 -17 17 12 o 663.2745 12.07748 103.7467       3.768243  102.5390       4.083624  110.6718       9.778679  659.2383 13.16843 680.2192 30.56061 -20.98096      33.27699 
1 1 1 -17 17 13 o 471.2127 15.26183 52.47289       3.382928  52.47289       3.382928  0.000000       0.000000  471.2127 15.26183 ?        ?        0.000000       15.26183 
1 1 1 -17 17 14 o 497.5177 35.85038 60.22593       8.333958  0.000000       0.000000  60.22593       8.333958  ?        ?        497.5177 35.85038 0.000000       35.85038 
1 1 1 -17 17 15 o 283.4498 18.41754 19.14294       2.442393  17.57346       2.729540  25.44715       5.470491  270.8635 21.60213 321.3932 36.85020 -50.52975      42.71521 
1 1 1 -17 17 16 o 218.6263 24.06040 11.56587       2.433472  13.73283       2.809645  5.059678       4.868433  238.0664 25.48492 149.2769 53.98208 88.78943       59.69545 
1 1 1 -17 17 17 o 442.9655 16.44133 46.57310       3.425911  52.43851       4.057803  32.01546       6.392740  469.5027 18.37314 358.3015 38.53455 111.2012       42.69056 
1 1 1 -17 17 18 o 196.9923 25.48266 9.496433       2.306018  9.906253       3.098042  8.987267       3.453190  198.2779 34.46685 186.5163 40.51739 11.76157       53.19419 
1 1 1 -17 17 19 o 545.7305 16.63662 70.87897       4.270833  72.32462       7.623465  70.21772       5.155877  543.4572 29.93615 541.6590 20.23519 1.798157       36.13359 
1 1 1 -17 17 20 o 261.1763 21.08162 16.48033       2.567970  15.04916       3.745337  17.75003       3.527740  244.6799 33.41391 268.3232 28.37990 -23.64328      43.83957 
1 1 1 -17 17 21 o 290.5663 20.88821 20.40250       2.836013  25.13377       5.907676  18.98564       3.232889  311.4450 41.34618 278.6708 24.92526 32.77417       48.27810 
1 1 1 -17 17 22 o 210.1210 22.12927 10.78064       2.154403  8.342933       3.547771  12.20471       2.711623  176.0436 43.17136 222.0263 26.48579 -45.98270      50.64843 
1 1 1 -17 17 23 o 243.6278 21.24805 14.45983       2.410717  11.59229       3.857742  16.29706       3.087883  208.5475 40.78535 256.6584 25.93188 -48.11096      48.33122 
1 1 1 -17 17 24 o 291.4575 19.40824 20.60458       2.645698  15.40159       4.296049  23.78358       3.358049  240.7529 39.28933 311.3095 23.09578 -70.55659      45.57484 
1 1 1 -17 17 25 o 121.5156 35.26199 3.939021       2.133999  1.944052       3.800259  4.857809       2.579009  109.3057 45.25165 133.5410 38.76844 -24.23530      59.58779 
1 1 1 -17 17 26 o 299.9014 34.71213 23.78982       4.806471  23.78982       4.806471  0.000000       0.000000  299.9014 34.71213 ?        ?        0.000000       34.71213 
1 1 1 -17 17 27 o 101.9496 39.73850 2.362014       2.748010  0.000000       0.000000  2.362014       2.748010  ?        ?        101.9496 39.73850 0.000000       39.73850 
1 1 1 -17 17 28 o 113.9295 39.82185 3.667420       2.628787  -3.941736      4.978816  6.608630       3.095429  86.95499 41.77776 147.8529 42.34323 -60.89791      59.48386 
1 1 1 -17 17 29 o 125.0311 43.30300 4.906215       3.105067  -2.282699      4.624335  10.80856       4.190154  87.36852 41.49940 179.9079 48.43671 -92.53935      63.78334 
1 1 1 -17 19 1  o 709.5540 12.91215 118.6344       4.309761  123.7840       7.110274  115.6438       5.418599  723.7136 20.88576 700.1513 16.45227 23.56232       26.58744 
1 1 1 -17 19 2  o 415.4923 14.31666 40.69797       2.798170  49.63065       4.886298  36.33924       3.413254  458.0297 22.67864 392.3090 18.49571 65.72073       29.26452 
1 1 1 -17 19 3  o 535.3220 12.76283 67.52994       3.213893  72.70503       4.871809  63.54244       4.276432  554.8545 18.66560 518.8402 17.52180 36.01428       25.60113 
1 1 1 -17 19 4  o 755.9020 12.33497 134.6410       4.386043  145.0781       6.493596  125.8844       5.947871  783.8980 17.60988 730.2506 17.31491 53.64740       24.69644 
1 1 1 -17 19 5  o 272.9171 17.17137 17.65405       2.193234  18.61357       2.529459  14.74733       4.402538  279.9857 19.32364 245.0298 39.54197 34.95595       44.01103 
1 1 1 -17 19 6  o 626.8512 17.24243 92.79781       5.084311  86.98644       6.346447  103.2105       8.495171  606.0850 22.26014 659.0443 27.40238 -52.95923      35.30445 
1 1 1 -17 19 7  o 429.5168 19.65814 43.63769       3.971841  39.70190       5.001630  50.35672       6.535052  407.9815 26.20018 458.6203 30.46522 -50.63885      40.18182 
1 1 1 -17 19 8  o 61.15169 27.81833 -1.068436      1.753420  -1.277631      1.880973  0.3189656      4.844037  62.35114 28.53564 117.5374 50.01467 -55.18624      57.58255 
1 1 1 -17 19 9  o 133.7435 27.27433 4.411789       1.657755  3.330440       1.729343  16.66766       5.821974  116.0362 31.06528 256.7953 49.99473 -140.7591      58.86021 
1 1 1 -17 19 10 o 234.1501 15.31552 13.00680       1.677629  13.41888       1.758697  8.843639       5.590049  237.7797 15.81359 187.2752 57.73008 50.50453       59.85676 
1 1 1 -17 19 11 o 701.5053 11.80344 116.0791       3.895014  117.7539       4.266528  107.6992       9.543545  706.3613 12.84039 670.3494 30.26489 36.01190       32.87613 
1 1 1 -17 19 12 o 329.4127 13.68340 25.63186       2.120332  25.32785       2.247698  28.08859       6.389572  327.3569 14.59645 336.8918 41.17622 -9.534912      43.68681 
1 1 1 -17 19 13 o 210.6604 18.87472 10.61438       1.850561  11.07360       1.946088  6.278241       5.980014  215.0960 19.44382 165.5639 59.83492 49.53215       62.91486 
1 1 1 -17 19 14 o 290.4025 17.75764 20.08553       2.414143  20.78989       2.579272  15.10702       6.857237  295.2796 18.66531 236.8230 61.13577 58.45665       63.92163 
1 1 1 -17 19 15 o 105.1614 35.18056 2.577895       2.046464  2.185244       2.159572  6.034484       6.407494  100.9009 36.01640 164.0460 61.47043 -63.14513      71.24461 
1 1 1 -17 19 16 o 314.5602 19.19945 23.65727       2.827336  25.14445       3.216835  18.60746       5.927678  323.7541 21.24020 266.9996 49.00174 56.75452       53.40708 
1 1 1 -17 19 17 o 260.6785 22.49856 16.40749       2.731828  20.29140       3.205370  6.098020       5.222295  289.6902 23.73026 157.5266 56.03115 132.1636       60.84912 
1 1 1 -17 19 18 o 387.1348 17.40656 35.69862       3.169891  33.62945       3.824190  40.24199       5.666701  373.8042 21.84338 405.1002 29.94940 -31.29599      37.06885 
1 1 1 -17 19 19 o 109.0141 38.40223 2.721918       2.447406  2.522399       3.117765  3.042256       3.950540  112.3500 42.70374 123.8030 47.81536 -11.45301      64.10864 
1 1 1 -17 19 20 o 317.9198 27.31056 24.81253       4.044648  0.000000       0.000000  24.81253       4.044648  ?        ?        317.9198 27.31056 0.000000       27.31056 
1 1 1 -17 19 21 o 118.8935 36.50134 3.611849       2.237346  -3.061127      3.168839  10.24493       3.159352  73.95788 34.89693 199.7631 34.89098 -125.8053      49.34750 
1 1 1 -17 19 22 o 313.4163 19.12357 23.70603       2.805931  27.15823       4.354117  21.25408       3.669505  330.7327 28.25807 293.0647 26.91885 37.66797       39.02747 
1 1 1 -17 19 23 o 221.6935 25.28071 12.20824       2.589252  5.026064       3.812158  18.35910       3.527856  137.6006 47.96242 270.8033 28.10335 -133.2027      55.58949 
1 1 1 -17 19 24 o 74.21941 34.78003 -2.380936      3.053649  -0.2342804     3.483550  -9.503568      6.345430  91.70584 40.64952 89.57470 43.95363 2.131142       59.86907 
1 1 1 -17 19 25 o 65.58633 30.01089 -1.047624      2.079205  4.201242       3.823274  -3.251878      2.477614  126.5722 47.47246 60.66221 29.22499 65.91000       55.74706 
1 1 1 -17 19 26 o 177.1348 33.22937 8.440210       2.667115  2.327884       5.372961  10.43882       3.072372  118.7952 51.62809 196.5336 34.49090 -77.73842      62.08931 
1 1 1 -17 19 27 o 118.9956 40.68615 4.051159       2.737694  7.333532       5.556996  2.999159       3.145966  146.4442 56.66803 108.9943 42.50916 37.44992       70.83991 
1 1 1 -17 19 28 o 238.4160 28.68088 15.14712       3.152064  5.998811       5.579457  19.43557       3.820075  132.6967 54.87447 267.9278 30.87481 -135.2311      62.96397 
1 1 1 -17 21 1  o 551.0250 14.20380 71.62832       3.681671  65.04103       6.121685  75.36107       4.608212  523.4611 24.86092 564.7849 17.34523 -41.32385      30.31373 
1 1 1 -17 21 2  o 516.0118 14.20579 62.81903       3.448215  64.14874       5.415380  61.91227       4.471961  520.3093 22.12575 511.7177 18.57797 8.591614       28.89100 
1 1 1 -17 21 3  o 362.5831 15.13896 31.03229       2.582099  31.24714       3.722041  30.83295       3.585088  362.4751 21.93225 360.1765 21.25415 2.298615       30.54116 
1 1 1 -17 21 4  o 205.3586 21.67135 10.10330       2.061860  11.71834       2.771363  8.101077       3.085725  220.2484 27.33703 180.3319 37.59434 39.91646       46.48277 
1 1 1 -17 21 5  o 526.6948 18.03141 65.60822       4.467433  59.39552       5.819320  74.52438       6.971416  499.9214 24.74578 559.5615 26.48524 -59.64008      36.24668 
1 1 1 -17 21 6  f 455.4674 19.59098 49.12942       4.197423  48.95875       5.461246  49.37574       6.561037  452.8446 25.74368 453.2905 30.95499 -0.4458923     40.26101 
1 1 1 -17 21 7  o 105.7347 33.34905 2.656850       1.853643  2.656850       1.853643  0.000000       0.000000  105.7347 33.34905 ?        ?        0.000000       33.34905 
1 1 1 -17 21 8  o 165.8135 23.08392 6.658334       1.751684  7.700732       1.870552  -0.7702141     4.993497  178.6020 22.78357 112.4200 49.29331 66.18204       54.30397 
1 1 1 -17 21 9  f 266.9235 16.86847 16.92841       2.107135  16.92841       2.107135  0.000000       0.000000  266.9235 16.86847 ?        ?        0.000000       16.86847 
1 1 1 -17 21 10 o 317.8253 13.16885 23.85630       1.968818  24.60927       2.085842  17.70511       5.961726  322.7433 13.73899 262.9498 50.02600 59.79355       51.87832 
1 1 1 -17 21 11 o 98.12321 29.15942 2.348129       1.444404  2.210486       1.489747  4.506540       5.899336  95.98835 29.83759 152.2077 58.52845 -56.21940      65.69521 
1 1 1 -17 21 12 o 289.7078 14.71189 19.91052       1.998344  20.37178       2.111295  15.94233       6.192593  292.9385 15.37529 246.0032 54.90527 46.93532       57.01744 
1 1 1 -17 21 13 o 141.9765 31.34431 5.062469       2.037373  5.695673       2.163193  0.8935792E-01  6.062303  150.7196 31.52449 126.2945 54.86361 24.42505       63.27566 
1 1 1 -17 21 14 o 576.6345 12.85928 78.63129       3.488082  81.33562       3.777615  62.99049       9.084832  586.2532 13.69819 504.0424 38.60961 82.21082       40.96758 
1 1 1 -17 21 15 o 246.2954 18.64044 14.52223       2.143646  14.76112       2.264146  12.45541       6.659674  248.1056 19.55847 212.5401 62.47025 35.56546       65.46041 
1 1 1 -17 21 16 o 218.5852 26.50102 11.69012       2.669212  12.37041       2.784572  3.986326       9.370529  224.8215 26.86193 166.1044 70.06636 58.71712       75.03905 
1 1 1 -17 21 17 o 179.9855 30.25268 8.093513       2.470494  6.614031       2.747205  14.34770       5.648351  160.2796 37.16051 230.1582 53.23098 -69.87860      64.91872 
1 1 1 -17 21 18 o 131.9292 37.52023 4.473899       2.439104  2.925941       2.749210  10.19769       5.286526  113.6918 40.63107 192.2743 55.41528 -78.58242      68.71490 
1 1 1 -17 21 19 o 304.7496 21.64609 22.44823       3.082887  25.78428       3.781387  15.83540       5.323880  325.3365 24.89764 242.8264 48.30806 82.51009       54.34668 
1 1 1 -17 21 20 o 351.0246 23.58414 29.97897       3.871668  38.85256       6.132874  24.09923       4.992217  393.4711 33.45192 308.3900 35.03491 85.08105       48.44044 
1 1 1 -17 21 21 o 220.3904 27.21812 12.09347       2.761811  16.59377       3.799408  7.051317       4.021641  255.9783 32.27034 159.7686 48.91901 96.20966       58.60413 
1 1 1 -17 21 22 o 91.26263 37.55480 1.060439       2.596246  1.405447       3.575563  0.6756838      3.775917  104.7404 43.67099 101.6677 43.73083 3.072708       61.80243 
1 1 1 -17 21 23 o 53.50860 26.27797 -4.271406      2.282894  -1.589698      3.423418  -6.418854      3.063483  83.37125 38.28096 59.30934 29.37076 24.06190       48.25011 
1 1 1 -17 21 24 o 154.6727 36.65744 6.525827       2.626382  3.064304       3.935405  9.305629       3.526652  117.6871 47.02973 181.8910 42.05727 -64.20383      63.09207 
1 1 1 -17 21 25 o 179.1594 35.10395 8.732253       2.852648  12.50892       5.301470  7.193140       3.384366  196.5567 55.11253 156.3546 44.10270 40.20210       70.58640 
1 1 1 -17 21 26 o 112.0589 40.03360 3.436766       2.668731  3.495839       5.205416  3.415703       3.108316  121.8689 51.85202 113.0991 42.72285 8.769768       67.18537 
1 1 1 -17 23 1  o 460.5919 15.20005 50.11744       3.293294  53.14417       5.521532  48.44612       4.103009  471.9003 24.96246 452.2397 19.28699 19.66058       31.54540 
1 1 1 -17 23 2  o 243.0425 22.72741 14.15202       2.568209  12.95272       3.950629  15.02978       3.379804  228.6561 38.06789 249.0517 29.41710 -20.39568      48.10956 
1 1 1 -17 23 3  o 463.1779 14.06298 50.65884       3.064040  60.54074       4.552196  42.47343       4.143058  505.4903 19.14427 423.1155 20.81579 82.37485       28.28074 
1 1 1 -17 23 4  o 356.1788 15.07291 29.97900       2.525424  31.00436       3.411352  28.73563       3.756526  361.0017 20.16918 346.8639 23.15587 14.13782       30.70814 
1 1 1 -17 23 5  o 597.5445 18.67744 84.61256       5.249971  80.72469       6.740930  90.60644       8.369859  582.0542 24.61995 615.1440 28.92491 -33.08984      37.98410 
1 1 1 -17 23 6  o 386.9653 14.30172 35.38187       2.603333  35.27312       2.889838  35.85018       5.996882  386.1599 15.90879 384.2328 33.51440 1.927032       37.09858 
1 1 1 -17 23 7  o 498.3844 13.28330 58.66477       3.114150  60.75365       3.484972  50.38645       6.937667  506.9582 14.61362 456.0933 32.55005 50.86490       35.68002 
1 1 1 -17 23 8  o 106.2334 31.20560 2.768607       1.662215  2.430421       1.741643  6.224733       5.567703  101.2380 32.36811 163.3928 57.88256 -62.15482      66.31806 
1 1 1 -17 23 9  o 190.0869 19.35279 8.668212       1.706339  8.950932       1.800786  6.183116       5.338948  193.0424 20.12675 161.6689 56.73710 31.37355       60.20121 
1 1 1 -17 23 10 o 349.0382 12.50773 28.77862       2.053624  29.00975       2.157567  26.55173       6.697056  350.3646 13.09106 324.3838 45.10998 25.98083       46.97112 
1 1 1 -17 23 11 o 146.0202 21.71784 5.190317       1.446339  5.524683       1.488482  -0.4649228     6.121503  150.7660 21.60565 124.3465 54.54884 26.41956       58.67179 
1 1 1 -17 23 12 o 251.5372 18.07042 15.10691       2.123910  16.46805       2.277330  6.013675       5.886174  262.5750 18.55706 161.6062 59.21627 100.9688       62.05587 
1 1 1 -17 23 13 o 67.70507 28.63022 0.1336156      1.570805  0.2191085E-01  1.626482  1.681926       6.055396  67.65139 28.88881 134.1402 56.44003 -66.48885      63.40379 
1 1 1 -17 23 14 o 439.6632 16.25483 45.88646       3.361800  50.38060       3.730334  26.45363       7.756975  460.4315 17.22318 316.4056 54.05841 144.0259       56.73579 
1 1 1 -17 23 15 o 328.6786 16.41134 25.66678       2.537376  25.66678       2.537376  0.000000       0.000000  328.6786 16.41134 ?        ?        0.000000       16.41134 
1 1 1 -17 23 16 o 236.6506 24.71566 13.63586       2.710776  14.13784       2.911577  10.36861       7.428137  240.5300 26.15449 194.0249 66.98909 46.50514       71.91380 
1 1 1 -17 23 17 o 423.9365 16.72329 42.80126       3.334970  48.60432       4.113646  31.67348       5.696426  450.7980 19.39883 356.2303 34.42296 94.56769       39.51271 
1 1 1 -17 23 18 o 179.5823 31.00316 8.138565       2.524354  7.093747       2.939328  11.07510       4.927710  164.7040 38.60973 200.3613 51.87557 -35.65732      64.66673 
1 1 1 -17 23 19 o 292.1111 39.96405 22.12247       5.347420  22.12247       5.347420  0.000000       0.000000  292.1111 39.96405 ?        ?        0.000000       39.96405 
1 1 1 -17 23 20 o 82.47298 35.66393 0.6074173E-01  2.538414  -0.3894156     3.230520  0.7872174      4.103938  88.93000 39.29555 106.5233 45.69851 -17.59329      60.27017 
1 1 1 -17 23 21 o 193.9115 37.55650 9.963144       3.302009  14.14982       5.301996  7.310384       4.220400  221.8799 51.74880 160.4324 50.27855 61.44749       72.15173 
1 1 1 -17 23 22 o 330.2447 22.00781 26.75197       3.399286  36.12193       4.909662  18.12453       4.711116  379.5540 27.68951 259.6817 39.83860 119.8723       48.51621 
1 1 1 -17 23 23 o 221.9717 29.26615 12.66121       2.981343  14.86894       4.161047  10.33231       4.273722  233.4633 39.28407 187.0777 48.24938 46.38559       62.21930 
1 1 1 -17 23 24 o 182.8002 45.53472 9.891744       3.900926  9.891744       3.900926  0.000000       0.000000  182.8002 45.53472 ?        ?        0.000000       45.53472 
1 1 1 -17 25 1  o 356.7248 19.60532 30.27404       3.277231  22.70809       6.649614  32.70137       3.766427  299.6237 48.86362 370.3245 21.71606 -70.70078      53.47187 
1 1 1 -17 25 2  o 104.5274 37.55150 2.279450       2.351167  0.9151241      3.664933  3.233677       3.065018  106.9044 44.36288 121.5875 42.95990 -14.68311      61.75449 
1 1 1 -17 25 3  o 399.3788 15.32875 37.71869       2.879791  45.12376       4.195772  31.12329       3.959749  435.9093 20.46192 360.7498 23.46172 75.15952       31.13105 
1 1 1 -17 25 4  o 203.9800 22.88040 10.02627       2.157589  11.47701       2.926952  8.299848       3.192955  216.8302 29.45903 181.4888 38.58826 35.34137       48.54779 
1 1 1 -17 25 5  f 287.2014 17.93770 19.62637       2.411256  20.07301       2.718477  17.97860       5.221504  290.0527 20.04715 267.6566 42.92190 22.39615       47.37276 
1 1 1 -17 25 6  o 308.9641 16.71964 22.67396       2.420947  23.54986       2.665637  18.54935       5.784493  314.6327 18.08668 270.0590 47.25547 44.57370       50.59849 
1 1 1 -17 25 7  o 124.7384 31.20460 3.895973       1.826410  2.895488       1.929471  12.51784       5.664133  109.3684 33.95023 218.1775 55.15862 -108.8090      64.76952 
1 1 1 -17 25 8  o 257.7346 17.23907 15.81806       2.077993  15.81806       2.077993  0.000000       0.000000  257.7346 17.23907 ?        ?        0.000000       17.23907 
1 1 1 -17 25 9  o 292.1040 14.43227 20.18685       1.983086  21.04037       2.100556  13.18966       6.014341  297.7672 15.04519 222.6228 57.14241 75.14444       59.08987 
1 1 1 -17 25 10 o 359.1923 12.62491 30.48962       2.133166  30.57718       2.234867  29.59275       7.152689  359.6269 13.21084 341.8304 45.62118 17.79654       47.49545 
1 1 1 -17 25 11 o 473.7184 11.95620 53.01960       2.664297  54.35114       2.835063  42.95482       7.794514  479.5168 12.56868 415.1132 40.42968 64.40359       42.33829 
1 1 1 -17 25 12 o 200.3723 22.14575 9.709565       2.052470  11.87758       2.204839  -4.369798      5.618721  222.0418 21.37328 101.9068 47.56675 120.1351       52.14798 
1 1 1 -17 25 13 o 528.5729 12.78842 66.10143       3.179735  67.31893       3.416934  58.23425       8.685795  533.2073 13.62295 483.5018 38.50861 49.70551       40.84724 
1 1 1 -17 25 14 o 155.4564 27.38199 6.007770       1.929217  5.574566       2.014431  10.80559       6.703905  148.9600 29.78918 197.7531 63.53341 -48.79311      70.17043 
1 1 1 -17 25 15 o 196.3780 23.18723 9.396907       2.100636  9.557655       2.203471  7.794293       6.957415  197.7747 24.18882 174.6037 64.31891 23.17101       68.71696 
1 1 1 -17 25 16 o 307.1075 17.58704 22.57416       2.530128  21.81812       2.692571  28.27884       7.396252  301.4395 19.08734 325.8976 49.82908 -24.45810      53.35976 
1 1 1 -17 25 17 o 185.1882 32.48440 8.713215       2.726617  11.24496       3.142971  1.011296       5.481881  210.8143 32.75687 121.9708 52.57732 88.84344       61.94665 
1 1 1 -17 25 18 o 430.3617 24.41966 45.18888       4.923226  44.23306       6.266580  46.73009       7.957450  420.4813 31.92038 424.9053 40.29362 -4.424042      51.40512 
1 1 1 -17 25 19 o 153.5910 36.67611 6.242793       2.613293  6.619287       3.475481  5.753011       3.964030  155.3494 44.97755 145.8721 48.96233 9.477386       66.48526 
1 1 1 -17 25 20 o 90.90555 37.80788 0.9455690      2.670394  5.592144       3.682141  -4.209857      3.878521  142.6658 47.17060 78.25532 37.40369 64.41045       60.20051 
1 1 1 -17 25 21 o 306.2384 27.17924 23.55516       3.874620  40.02743       4.848273  -5.561831      6.445901  400.8802 25.84781 100.0714 47.93491 300.8088       54.45975 
1 1 1 -17 27 1  o 371.9314 20.21066 32.95035       3.522727  28.90904       7.009196  34.31615       4.074746  339.9124 44.93787 378.8987 22.97016 -38.98639      50.46821 
1 1 1 -17 27 2  o 261.4983 25.08543 16.47392       3.047873  14.93163       5.921131  17.02988       3.555022  239.3868 53.88193 264.8824 29.00530 -25.49562      61.19289 
1 1 1 -17 27 3  o 209.2251 24.40961 10.58446       2.357231  9.828431       3.309317  11.36312       3.358482  198.1773 36.85541 214.1665 34.50930 -15.98920      50.48973 
1 1 1 -17 27 4  o 267.1998 25.02319 17.20478       3.108569  8.492867       5.822964  20.67723       3.676251  182.6218 59.26787 292.5877 27.01543 -109.9659      65.13458 
1 1 1 -17 27 5  o 118.3652 34.81404 3.465908       2.067681  2.640726       2.260628  7.690251       5.114862  107.9574 36.97135 173.9284 55.45486 -65.97102      66.64925 
1 1 1 -17 27 6  o 297.0678 17.59961 21.00543       2.448431  21.04217       2.687894  20.82640       5.934101  296.9626 19.34724 286.5446 45.54874 10.41806       49.48741 
1 1 1 -17 27 7  o 278.0702 17.55120 18.41891       2.284001  17.85028       2.437606  22.50892       6.537517  273.4125 19.07237 296.3451 48.58098 -22.93259      52.19068 
1 1 1 -17 27 8  o 520.0461 15.94097 64.09911       3.899654  62.27268       4.418022  70.54103       8.297241  511.9497 18.34557 537.9672 32.94626 -26.01746      37.70963 
1 1 1 -17 27 9  o 227.6893 17.36522 12.38026       1.845886  11.82299       1.932871  18.15696       6.223165  222.2129 18.66404 262.9742 52.14900 -40.76123      55.38831 
1 1 1 -17 27 10 o 70.62113 28.40415 0.5918882      1.445685  0.7552835      1.494560  -1.784483      5.699682  73.60606 29.11922 113.2225 50.95964 -39.61644      58.69253 
1 1 1 -17 27 11 o 231.1445 21.21812 12.87300       2.281310  12.80102       2.447326  13.35018       6.301342  230.0389 22.92152 220.5029 59.41224 9.535919       63.68054 
1 1 1 -17 27 12 o 125.7601 29.34772 3.990717       1.704457  3.539057       1.785915  8.605827       5.708813  118.3068 31.52245 179.4742 58.70550 -61.16737      66.63333 
1 1 1 -17 27 13 o 169.1449 26.72131 7.084001       2.055497  6.350540       2.215152  11.62901       5.514200  158.7379 30.77654 205.5531 55.65910 -46.81525      63.60134 
1 1 1 -17 27 14 o 189.3847 27.43070 8.887218       2.372566  8.887218       2.372566  0.000000       0.000000  189.3847 27.43070 ?        ?        0.000000       27.43070 
1 1 1 -17 27 15 o 473.1536 15.07742 53.25972       3.355819  53.88966       3.695431  50.29727       8.013803  475.4012 16.52477 444.6300 38.70113 30.77127       42.08142 
1 1 1 -17 27 16 o 60.46826 28.89289 -2.873879      2.310508  -1.066931      2.540523  -11.51903      5.556948  74.72685 33.79132 79.30952 39.32538 -4.582672      51.84919 
1 1 1 -17 27 17 o 163.7059 34.89227 6.990931       2.604815  6.063073       2.884344  11.09394       6.065371  150.5323 40.03716 193.0550 60.23755 -42.52272      72.32936 
1 1 1 -17 27 18 o 104.5678 40.71954 2.155995       2.883226  2.949970       3.433587  0.2574614      5.309504  116.2924 44.66752 113.8243 50.33231 2.468040       67.29434 
1 1 1 -17 29 1  o 337.5711 27.16393 27.52230       4.276961  27.52230       4.276961  0.000000       0.000000  337.5711 27.16393 ?        ?        0.000000       27.16393 
1 1 1 -17 29 2  o 400.2056 18.87659 38.05519       3.553661  37.39596       6.412310  38.34740       4.269238  390.4188 35.29689 400.2034 22.77191 -9.784546      42.00512 
1 1 1 -17 29 3  o 303.1414 19.12934 21.92941       2.713823  24.95065       3.937072  19.19443       3.745910  321.4606 26.26561 280.9294 28.75103 40.53119       38.94231 
1 1 1 -17 29 4  o 75.26101 34.42327 -1.681217      2.731555  -0.7718323E-01 3.332195  -4.967301      4.769391  94.79580 40.92720 89.97043 42.56176 4.825371       59.04692 
1 1 1 -17 29 5  o 292.5754 18.40994 20.42450       2.520805  20.69415       2.805733  19.29548       5.741105  294.0313 20.41184 274.4278 46.10832 19.60358       50.42440 
1 1 1 -17 29 6  o 283.4141 25.45901 19.43575       3.357951  16.87964       4.114204  24.53627       5.811705  260.9450 34.35213 312.5787 40.47578 -51.63367      53.08821 
1 1 1 -17 29 7  o 134.0243 35.23094 4.561845       2.250423  4.561845       2.250423  0.000000       0.000000  134.0243 35.23094 ?        ?        0.000000       35.23094 
1 1 1 -17 29 8  o 192.3307 22.68890 8.976726       2.013213  8.860237       2.196170  9.589775       5.038166  190.4042 25.13433 189.2021 53.96490 1.202164       59.53105 
1 1 1 -17 29 9  o 353.9210 14.54774 29.69948       2.421984  29.15373       2.625364  32.81808       6.275892  350.3748 15.92895 362.4014 37.34945 -12.02655      40.60435 
1 1 1 -17 29 10 o 274.7775 16.14724 18.00675       2.077954  19.41922       2.273708  10.84721       5.119026  285.1700 17.02742 199.7951 53.43000 85.37489       56.07761 
1 1 1 -17 29 11 o 87.99908 32.26120 1.584478       1.747392  3.428271       1.882151  -9.925685      4.702612  116.3351 32.91544 73.74767 36.49737 42.58741       49.14758 
1 1 1 -17 29 12 o 257.8753 18.01143 15.95332       2.171156  16.29180       2.372181  14.20630       5.389229  260.1676 19.52560 228.3244 51.41437 31.84319       54.99715 
1 1 1 -17 29 13 o 255.0302 32.02730 16.30591       3.757469  29.23900       5.558373  5.422117       5.099020  340.4949 35.21176 148.7274 55.01143 191.7675       65.31558 
1 1 1 -17 29 14 o 349.0642 25.22236 29.81046       4.113647  40.54697       5.928187  19.83948       5.712934  403.1703 31.50865 272.1295 46.28606 131.0408       55.99281 
1 1 1 -17 31 1  o 381.2371 37.69657 36.14745       6.671736  0.000000       0.000000  36.14745       6.671736  ?        ?        381.2371 37.69657 0.000000       37.69657 
1 1 1 -17 31 2  o 403.3398 18.82545 38.73875       3.571790  42.68728       6.718632  37.18314       4.217089  416.0987 34.64014 393.3790 22.88830 22.71964       41.51883 
1 1 1 -17 31 3  o 331.9355 38.44541 27.58918       5.891862  27.58918       5.891862  0.000000       0.000000  331.9355 38.44541 ?        ?        0.000000       38.44541 
1 1 1 -17 31 4  o 113.9172 36.39103 3.168273       2.201830  2.965502       2.568265  3.730678       4.277218  113.5060 39.37839 133.2013 50.16211 -19.69538      63.77221 
1 1 1 -17 31 5  o 129.1782 41.19970 4.158108       2.823040  3.352375       3.619106  5.410226       4.511577  125.0372 46.32652 148.8676 52.16087 -23.83044      69.76319 
1 1 1 -17 31 6  o 320.3669 22.32685 24.73299       3.343651  29.68490       4.382572  17.83591       5.172196  349.3032 26.87848 262.9859 43.31786 86.31723       50.97930 
1 1 1 -17 31 7  o 175.7392 34.90352 7.867252       2.783671  11.03151       3.542688  2.760999       4.500369  207.7980 37.62821 126.4214 50.36607 81.37665       62.86989 
1 1 1 -17 31 8  o 245.4486 26.84497 14.77641       3.048977  13.69798       3.873065  16.53389       4.944300  232.1977 36.67702 252.2002 43.23222 -20.00253      56.69417 
1 1 1 -16 0  1  o 255.1000 28.90606 15.94289       3.353827  15.94289       3.353827  15.94289       3.353827  255.1000 28.90606 255.1000 28.90606 0.000000       0.000000 
1 1 1 -16 0  2  o 116.8259 50.90057 4.638025       2.902607  4.638025       2.902607  4.638025       2.902607  116.8259 50.90057 116.8259 50.90057 0.000000       0.000000 
1 1 1 -16 0  3  o 298.9785 26.01471 21.56025       3.594989  21.56025       3.594989  21.56025       3.594989  298.9785 26.01471 298.9785 26.01471 0.000000       0.000000 
1 1 1 -16 0  4  o 625.1990 18.22141 92.29893       5.348525  92.29893       5.348525  92.29893       5.348525  625.1990 18.22141 625.1990 18.22141 0.000000       0.000000 
1 1 1 -16 0  5  o 1247.551 29.89354 368.0143       17.52029  368.0143       17.52029  368.0143       17.52029  1247.551 29.89354 1247.551 29.89354 0.000000       0.000000 
1 1 1 -16 0  6  o 848.2565 16.11431 169.5782       6.424724  169.5782       6.424724  169.5782       6.424724  848.2565 16.11431 848.2565 16.11431 0.000000       0.000000 
1 1 1 -16 0  7  f 522.3043 13.55878 64.32915       3.326224  64.32915       3.326224  64.32915       3.326224  522.3043 13.55878 522.3043 13.55878 0.000000       0.000000 
1 1 1 -16 0  8  o 293.5316 15.05151 20.43638       2.065809  20.43638       2.065809  20.43638       2.065809  293.5316 15.05151 293.5316 15.05151 0.000000       0.000000 
1 1 1 -16 0  9  o 53.49972 31.74998 0.7324014      1.389519  0.7324014      1.389519  0.7324014      1.389519  53.49972 31.74998 53.49972 31.74998 0.000000       0.000000 
1 1 1 -16 0  10 o 404.6322 14.14650 38.66626       2.685180  38.66626       2.685180  38.66626       2.685180  404.6322 14.14650 404.6322 14.14650 0.000000       0.000000 
1 1 1 -16 0  11 o 1582.854 22.59031 590.2619       16.81253  590.2619       16.81253  590.2619       16.81253  1582.854 22.59031 1582.854 22.59031 0.000000       0.000000 
1 1 1 -16 0  12 o 261.0092 35.08683 16.90844       4.089154  16.90844       4.089154  16.90844       4.089154  261.0092 35.08683 261.0092 35.08683 0.000000       0.000000 
1 1 1 -16 0  13 o 384.8035 16.80467 35.04773       3.028653  35.04773       3.028653  35.04773       3.028653  384.8035 16.80467 384.8035 16.80467 0.000000       0.000000 
1 1 1 -16 0  14 o 1644.310 23.91004 637.2083       18.48530  637.2083       18.48530  637.2083       18.48530  1644.310 23.91004 1644.310 23.91004 0.000000       0.000000 
1 1 1 -16 0  15 o 845.8148 17.66242 168.6225       7.020488  168.6225       7.020488  168.6225       7.020488  845.8148 17.66242 845.8148 17.66242 0.000000       0.000000 
1 1 1 -16 0  16 o 506.4095 23.18340 60.79073       5.496302  60.79073       5.496302  60.79073       5.496302  506.4095 23.18340 506.4095 23.18340 0.000000       0.000000 
1 1 1 -16 0  17 o 955.9500 19.12062 215.4561       8.590419  215.4561       8.590419  215.4561       8.590419  955.9500 19.12062 955.9500 19.12062 0.000000       0.000000 
1 1 1 -16 0  18 o 163.9411 47.15536 7.743369       3.153664  7.743369       3.153664  7.743369       3.153664  163.9411 47.15536 163.9411 47.15536 0.000000       0.000000 
1 1 1 -16 0  19 o 300.4474 26.36323 21.78274       3.659955  21.78274       3.659955  21.78274       3.659955  300.4474 26.36323 300.4474 26.36323 0.000000       0.000000 
1 1 1 -16 0  20 o 799.2805 31.22121 151.7539       11.69798  151.7539       11.69798  151.7539       11.69798  799.2805 31.22121 799.2805 31.22121 0.000000       0.000000 
1 1 1 -16 0  21 o 136.5002 55.12619 6.178385       3.456456  6.178385       3.456456  6.178385       3.456456  136.5002 55.12619 136.5002 55.12619 0.000000       0.000000 
1 1 1 -16 0  22 o 274.5682 32.68993 18.62066       4.064214  18.62066       4.064214  18.62066       4.064214  274.5682 32.68993 274.5682 32.68993 0.000000       0.000000 
1 1 1 -16 0  23 o 457.6446 29.89066 50.32700       6.371802  50.32700       6.371802  50.32700       6.371802  457.6446 29.89066 457.6446 29.89066 0.000000       0.000000 
1 1 1 -16 0  25 o 301.4348 61.44842 24.76814       7.707677  24.76814       7.707677  24.76814       7.707677  301.4348 61.44842 301.4348 61.44842 0.000000       0.000000 
1 1 1 -16 0  26 o 175.5444 64.43880 10.11891       4.916670  10.11891       4.916670  10.11891       4.916670  175.5444 64.43880 175.5444 64.43880 0.000000       0.000000 
1 1 1 -16 0  27 o 606.4244 23.54516 87.81863       6.693578  87.81863       6.693578  87.81863       6.693578  606.4244 23.54516 606.4244 23.54516 0.000000       0.000000 
1 1 1 -16 0  28 o 146.1909 60.97823 7.484165       4.192422  7.484165       4.192422  7.484165       4.192422  146.1909 60.97823 146.1909 60.97823 0.000000       0.000000 
1 1 1 -16 0  29 o 124.0506 59.18256 5.708832       3.955121  5.708832       3.955121  5.708832       3.955121  124.0506 59.18256 124.0506 59.18256 0.000000       0.000000 
1 1 1 -16 0  30 o 474.2220 26.68235 54.39474       5.909073  54.39474       5.909073  54.39474       5.909073  474.2220 26.68235 474.2220 26.68235 0.000000       0.000000 
1 1 1 -16 0  31 o 70.86144 46.90714 -0.5042567     4.094143  -0.5042567     4.094143  -0.5042567     4.094143  70.86144 46.90714 70.86144 46.90714 0.000000       0.000000 
1 1 1 -16 0  32 o 114.8900 67.81263 4.973247       6.278122  4.973247       6.278122  4.973247       6.278122  114.8900 67.81263 114.8900 67.81263 0.000000       0.000000 
1 1 1 -16 0  33 o 89.31297 58.24089 0.9357908      5.959697  0.9357908      5.959697  0.9357908      5.959697  89.31297 58.24089 89.31297 58.24089 0.000000       0.000000 
1 1 1 -16 0  34 o 112.1185 66.87690 5.187278       6.220616  5.187278       6.220616  5.187278       6.220616  112.1185 66.87690 112.1185 66.87690 0.000000       0.000000 
1 1 1 -16 2  1  o 610.7749 12.48588 87.88909       3.587316  85.82046       7.057559  88.60974       4.165565  602.0309 24.92105 613.0990 14.44355 -11.06812      28.80408 
1 1 1 -16 2  2  o 1017.487 15.77455 244.1534       7.550142  243.6953       9.360908  245.0060       12.77194  1015.794 19.59039 1016.722 26.70455 -0.9281616     33.11973 
1 1 1 -16 2  3  o 868.2139 12.80582 177.6010       5.230022  174.5404       6.212541  185.0476       9.690375  860.3750 15.35014 884.4626 23.29119 -24.08765      27.89456 
1 1 1 -16 2  4  o 376.6738 19.67868 33.59399       3.474726  36.62914       4.078529  25.55886       6.636047  393.0298 22.15046 323.4567 44.81812 69.57309       49.99306 
1 1 1 -16 2  5  o 521.6848 20.42322 64.26588       5.011891  63.34721       6.282463  65.87396       8.311917  517.3300 25.81624 525.3100 33.81662 -7.979980      42.54459 
1 1 1 -16 2  6  o 642.6060 10.55548 97.21783       3.190743  94.72141       4.359809  100.0971       4.682205  634.0223 14.61819 651.7103 15.27308 -17.68805      21.14139 
1 1 1 -16 2  7  o 1075.684 12.31261 272.4579       6.230229  284.3582       8.948485  261.2624       8.679424  1098.318 17.32017 1052.742 17.52668 45.57581       24.64088 
1 1 1 -16 2  8  o 743.7148 10.15627 130.1802       3.553119  133.0579       4.983976  127.2061       5.066786  751.6553 14.09574 734.9020 14.65662 16.75336       20.33486 
1 1 1 -16 2  9  o 678.1545 13.62076 108.2870       4.345095  108.2870       4.345095  0.000000       0.000000  678.1545 13.62076 ?        ?        0.000000       13.62076 
1 1 1 -16 2  10 o 1056.123 12.00612 262.5563       5.964673  261.1039       8.334824  264.0810       8.539544  1052.785 16.83013 1058.738 17.14656 -5.953003      24.02619 
1 1 1 -16 2  11 o 1138.049 14.83561 305.0011       7.942106  328.1808       14.72200  295.4859       9.432390  1178.891 26.54751 1119.839 17.90593 59.05212       32.02175 
1 1 1 -16 2  12 f 1052.030 14.56838 260.6372       7.209558  269.8557       8.923780  243.3116       12.23381  1070.154 17.72693 1015.142 25.61920 55.01123       31.15425 
1 1 1 -16 2  13 o 1566.490 16.19020 578.1222       11.93024  561.4532       16.30922  597.3079       17.49716  1542.549 22.47631 1590.831 23.38160 -48.28198      32.43275 
1 1 1 -16 2  14 o 902.1262 12.05355 191.6098       5.115070  194.2377       7.274396  189.0399       7.193879  907.8289 17.03428 895.5952 17.07584 12.23370       24.11951 
1 1 1 -16 2  15 o 527.2048 13.21468 65.46280       3.277217  69.41788       4.415627  60.61237       4.889955  542.6316 17.29888 506.8075 20.51127 35.82413       26.83214 
1 1 1 -16 2  16 o 373.7811 15.94732 32.93509       2.803976  33.38288       4.868630  32.71285       3.429936  374.4345 27.84061 371.7825 19.68236 2.651978       34.09538 
1 1 1 -16 2  17 o 611.4318 13.02679 88.08321       3.746751  89.72864       5.363920  86.51543       5.235815  616.5708 18.49397 605.4429 18.38407 11.12787       26.07683 
1 1 1 -16 2  18 o 239.8547 21.54531 13.71515       2.404988  14.57704       3.553750  12.98688       3.266688  245.5449 31.49291 231.7048 30.72922 13.84001       44.00100 
1 1 1 -16 2  19 o 331.6386 32.07068 26.49155       4.940677  31.83710       7.187613  21.70333       6.802616  360.6422 43.22960 294.4572 50.95636 66.18509       66.82326 
1 1 1 -16 2  20 o 416.5610 23.07273 41.33218       4.503486  40.93341       5.640612  42.03330       7.479352  412.9801 29.22412 415.4404 38.71844 -2.460327      48.50945 
1 1 1 -16 2  21 f 107.6234 37.85838 2.515515       2.377758  4.536053       3.521862  0.8230762      3.223259  138.3651 46.15100 100.6348 41.66954 37.73029       62.17930 
1 1 1 -16 2  22 o 419.0275 17.13010 41.64528       3.376539  38.42479       4.733367  44.98203       4.818052  399.7794 25.30032 433.2150 23.73309 -33.43561      34.68956 
1 1 1 -16 2  23 o 151.6461 36.87860 5.881285       2.605363  3.911778       3.778849  7.665754       3.596956  131.8023 47.57512 171.5153 44.27872 -39.71303      64.99229 
1 1 1 -16 2  24 o 344.4331 19.84191 28.46650       3.201225  24.94550       4.405971  32.40363       4.659056  318.4039 29.76187 364.3885 27.38109 -45.98462      40.44123 
1 1 1 -16 2  25 o 283.3580 22.36255 19.49077       2.956529  14.21802       4.205715  24.64217       4.157036  233.9378 39.63326 316.0188 28.26246 -82.08098      48.67815 
1 1 1 -16 2  26 o 194.1510 37.49664 9.898594       3.300549  13.80202       7.426400  8.937803       3.684424  209.7109 66.81628 181.1413 43.73544 28.56958       79.85741 
1 1 1 -16 2  27 o 148.6067 45.84040 6.141992       3.523921  9.477667       4.125377  -2.861475      6.777613  182.7783 47.53406 112.5606 52.43986 70.21771       70.77730 
1 1 1 -16 2  28 o 103.4337 39.84163 2.283897       2.737119  1.928181       4.055048  2.581605       3.709706  111.2104 46.44955 113.4755 45.54969 -2.265091      65.05640 
1 1 1 -16 2  29 o 137.0756 41.86311 5.288376       2.947383  8.038321       3.890186  1.582640       4.515915  164.9174 47.53850 111.1715 47.82174 53.74590       67.43017 
1 1 1 -16 2  30 o 91.91021 39.67698 0.7231871      3.131026  -5.472652      5.104756  4.459822       3.964289  85.52372 41.38619 127.0449 48.18598 -41.52120      63.51933 
1 1 1 -16 2  31 o 181.4580 46.09682 10.14819       3.942497  10.92152       7.947614  9.895782       4.540541  163.0410 66.23702 173.0180 51.76444 -9.976944      84.06486 
1 1 1 -16 2  32 o 111.2051 46.22694 3.172848       3.989187  -0.5758027     6.158419  5.882878       5.236232  104.3510 49.05687 131.6036 53.64819 -27.25255      72.69597 
1 1 1 -16 2  33 o 81.38503 39.09157 -2.763833      4.352950  -6.031511      5.872639  1.220571       6.484782  84.30341 41.54669 107.2202 50.38460 -22.91681      65.30494 
1 1 1 -16 2  34 o 121.4815 54.04658 6.765756       6.213270  6.765756       6.213270  0.000000       0.000000  121.4815 54.04658 ?        ?        0.000000       54.04658 
1 1 1 -16 2  35 o 117.6124 52.56430 7.752676       5.949269  7.752676       5.949269  0.000000       0.000000  117.6124 52.56430 ?        ?        0.000000       52.56430 
1 1 1 -16 4  1  o 397.3767 13.25935 37.20284       2.478529  36.47444       5.238341  37.41294       2.813374  391.2357 28.66286 398.4027 15.01191 -7.167053      32.35609 
1 1 1 -16 4  2  o 202.6056 25.02639 9.857106       2.334472  9.270334       2.982756  10.78478       3.750430  194.7646 33.78119 209.2726 39.54691 -14.50798      52.01084 
1 1 1 -16 4  3  o 463.5618 13.00062 50.62077       2.834922  50.87419       3.785853  50.29727       4.277362  464.4411 17.32861 461.6147 19.69823 2.826477       26.23549 
1 1 1 -16 4  4  o 1370.796 17.84395 443.1887       11.50623  443.1887       11.50623  0.000000       0.000000  1370.796 17.84395 ?        ?        0.000000       17.84395 
1 1 1 -16 4  5  o 851.0612 19.03605 170.8490       7.620910  172.8597       9.442832  167.0927       12.90646  855.4151 23.46692 839.3029 32.69031 16.11224       40.24118 
1 1 1 -16 4  6  o 774.7408 13.01906 141.3421       4.744664  129.9941       7.182339  150.1288       6.320010  742.3256 20.56848 798.1385 16.83334 -55.81293      26.57863 
1 1 1 -16 4  7  o 304.2139 11.24434 21.78443       1.609097  21.18010       2.063706  22.72156       2.569877  299.8812 14.62949 310.0022 17.69631 -10.12100      22.96043 
1 1 1 -16 4  8  o 1537.566 15.68259 556.8403       11.34282  563.3165       15.87701  550.0892       16.21051  1545.441 21.83972 1527.045 22.56709 18.39575       31.40457 
1 1 1 -16 4  9  o 930.3729 11.25001 203.7317       4.923560  197.2729       6.547015  212.1397       7.469815  915.2404 15.20683 948.9728 16.73350 -33.73236      22.61101 
1 1 1 -16 4  10 o 921.7366 11.34801 199.9672       4.920347  200.4475       6.788102  199.4355       7.142240  922.5506 15.64188 920.1495 16.50086 2.401062       22.73646 
1 1 1 -16 4  11 o 1029.428 14.06011 249.5236       6.808539  244.7979       11.48619  252.0835       8.453822  1018.560 23.97287 1034.394 17.37393 -15.83380      29.60662 
1 1 1 -16 4  12 o 973.3643 12.04933 223.0320       5.517058  223.4465       7.623593  222.5763       7.994191  973.8850 16.64113 971.9030 17.48567 1.982056       24.13868 
1 1 1 -16 4  13 o 532.9153 16.18465 66.91138       4.057240  68.46017       5.268878  64.65517       6.359338  538.7477 20.79042 523.1599 25.84093 15.58789       33.16618 
1 1 1 -16 4  14 o 789.8977 11.78221 146.8986       4.377912  148.6185       6.336927  145.3283       6.055275  794.0801 16.96466 785.2952 16.39199 8.784912       23.59019 
1 1 1 -16 4  15 o 610.2487 12.00503 87.69238       3.446192  94.17165       5.045858  82.02785       4.717952  632.0220 16.97202 589.8625 17.00331 42.15942       24.02420 
1 1 1 -16 4  16 o 1492.386 16.21395 525.1183       11.38255  530.1808       16.30785  520.3090       15.89481  1497.677 23.14777 1483.786 22.77271 13.89111       32.47176 
1 1 1 -16 4  17 o 549.8018 14.41343 71.25558       3.727717  76.45660       6.619320  68.84001       4.511064  568.2818 24.76170 540.0916 17.75588 28.19025       30.46987 
1 1 1 -16 4  18 o 429.4282 14.54458 43.48989       2.938062  44.35176       4.420212  42.80772       3.932511  432.3997 21.80161 425.5763 19.64370 6.823425       29.34596 
1 1 1 -16 4  19 o 419.2809 15.79588 41.50748       3.115432  43.94344       4.705842  39.60676       4.156830  429.8074 23.36300 408.3033 21.72075 21.50412       31.90017 
1 1 1 -16 4  20 o 511.7242 14.58522 61.84436       3.510899  65.05820       5.226599  59.20175       4.739400  523.6520 21.21813 499.7373 20.16101 23.91473       29.26902 
1 1 1 -16 4  21 o 171.9435 40.06301 7.494822       3.180308  10.22593       3.630082  -1.523187      6.596334  201.5191 39.70623 125.1101 55.67292 76.40907       68.38171 
1 1 1 -16 4  22 o 281.1172 22.80234 18.99468       2.989356  16.95527       4.160467  21.17123       4.298067  261.8071 34.63258 294.1306 31.55754 -32.32352      46.85397 
1 1 1 -16 4  23 o 357.4668 18.77372 30.52385       3.145809  30.46311       4.665393  30.57450       4.259899  353.7030 28.27654 355.4203 25.65167 -1.717316      38.17815 
1 1 1 -16 4  24 o 172.5744 36.81535 7.673161       2.897504  6.953033       5.080422  8.020321       3.527443  162.8528 55.42604 174.2913 43.23357 -11.43855      70.29358 
1 1 1 -16 4  25 o 356.2455 19.62854 30.55888       3.276632  23.98198       4.981059  35.57582       4.350415  307.6641 35.04241 382.1378 24.32803 -74.47366      42.65939 
1 1 1 -16 4  26 o 451.5255 17.79663 48.93015       3.779978  42.29533       5.328337  55.65213       5.363225  413.2775 27.56637 477.7448 23.86496 -64.46735      36.46150 
1 1 1 -16 4  27 o 132.6359 40.00955 4.740510       2.704336  4.533303       4.196605  4.887663       3.536560  133.5525 49.80568 134.9640 46.24239 -1.411484      67.96297 
1 1 1 -16 4  28 o 207.9017 33.57894 11.31888       3.172009  9.242165       4.296089  13.80797       4.703316  177.3564 49.57109 220.2287 46.84130 -42.87238      68.20118 
1 1 1 -16 4  29 o 164.8291 37.41998 7.456203       2.835086  10.24343       4.225802  5.174770       3.823196  186.0054 47.98072 135.3186 47.96187 50.68677       67.84165 
1 1 1 -16 4  30 o 125.8144 42.23764 4.490624       2.949939  6.335307       4.396588  2.980187       3.978379  143.5065 51.37195 114.9472 46.79955 28.55928       69.49299 
1 1 1 -16 4  31 o 134.2637 46.16592 5.551310       3.526134  -1.457194      6.760509  8.170450       4.132817  108.1208 51.00291 158.3831 49.77332 -50.26227      71.26485 
1 1 1 -16 4  32 o 242.4402 33.87383 16.42259       3.757609  15.35375       6.486732  16.96239       4.609820  192.6505 62.55632 235.4944 43.20570 -42.84387      76.02648 
1 1 1 -16 4  33 o 131.5245 51.31823 6.623293       4.586432  -1.122771      6.054829  17.05113       7.025196  97.58491 46.66803 186.0816 65.09556 -88.49668      80.09579 
1 1 1 -16 4  34 o 165.7330 58.82077 13.62366       5.752221  13.62366       5.752221  0.000000       0.000000  165.7330 58.82077 ?        ?        0.000000       58.82077 
1 1 1 -16 6  1  o 88.81499 33.77387 1.308579       1.950746  4.729682       3.124129  -0.8776820     2.497451  140.7504 43.11959 77.52925 34.38952 63.22115       55.15377 
1 1 1 -16 6  2  o 828.1002 12.28174 161.4594       4.784232  159.4560       7.405810  162.8944       6.267593  822.3264 19.14516 831.4638 16.02464 -9.137390      24.96650 
1 1 1 -16 6  3  o 1167.716 14.34045 321.1546       7.877150  307.9944       9.170035  358.2046       15.38628  1143.213 17.05197 1231.167 26.56730 -87.95374      31.56883 
1 1 1 -16 6  4  f 458.2003 17.94304 49.48056       3.867415  49.48056       3.867415  0.000000       0.000000  458.2003 17.94304 ?        ?        0.000000       17.94304 
1 1 1 -16 6  5  o 540.1180 11.67358 68.67046       2.965937  66.25973       3.866607  72.11653       4.622936  530.3882 15.49769 553.2086 17.76478 -22.82031      23.57468 
1 1 1 -16 6  6  o 687.5766 13.83895 111.3143       4.476035  105.1130       6.244953  117.8656       6.418763  667.7659 19.88088 707.1601 19.29587 -39.39417      27.70523 
1 1 1 -16 6  7  o 599.2263 12.51516 84.52507       3.527740  81.98574       5.089748  86.87280       4.893965  589.8725 18.34294 607.2686 17.13210 -17.39612      25.09925 
1 1 1 -16 6  8  o 1208.056 13.41927 343.5756       7.625799  343.6016       10.26989  343.5437       11.38516  1207.640 18.07836 1207.301 20.04721 0.3382568      26.99477 
1 1 1 -16 6  9  o 441.2033 10.27963 45.80973       2.133465  46.49473       2.686695  44.64051       3.510105  444.4204 12.85154 435.3216 17.14118 9.098816       21.42386 
1 1 1 -16 6  10 o 707.7126 12.25183 117.8974       4.078750  122.0868       6.713540  115.4464       5.135100  719.7061 19.83020 700.1425 15.59169 19.56360       25.22573 
1 1 1 -16 6  11 o 246.8563 13.55802 14.39106       1.568350  12.80940       2.047717  16.63542       2.439273  232.3672 18.89750 264.9248 19.71465 -32.55756      27.30902 
1 1 1 -16 6  12 o 736.7242 10.96101 127.7542       3.798611  130.8765       5.294727  124.4425       5.452857  745.4218 15.09984 726.8081 15.94906 18.61365       21.96309 
1 1 1 -16 6  13 o 1022.695 14.84321 246.3702       7.140743  241.0550       8.273614  261.8906       14.13793  1011.318 17.39154 1052.270 28.56204 -40.95190      33.44033 
1 1 1 -16 6  14 f 969.0906 13.99672 221.2165       6.380576  219.6012       8.011110  224.0190       10.55193  965.1209 17.64581 973.9678 23.03127 -8.846924      29.01403 
1 1 1 -16 6  15 o 766.5865 12.01606 138.3890       4.333039  147.5719       6.428891  130.7452       5.865477  791.0873 17.27596 744.6791 16.74422 46.40820       24.05884 
1 1 1 -16 6  16 o 733.2637 12.22824 126.6487       4.217872  131.6123       6.189588  122.3455       5.763160  746.9022 17.61687 720.2021 17.01128 26.70007       24.48954 
1 1 1 -16 6  17 o 205.3651 23.25090 10.10670       2.206560  10.33294       4.190034  10.01989       2.595648  203.4231 44.98179 203.6604 27.82153 -0.2373505     52.89044 
1 1 1 -16 6  18 o 480.5535 15.57703 54.49798       3.521241  64.38764       7.339067  51.54055       4.013354  519.1043 30.18534 467.0390 18.26775 52.06534       35.28265 
1 1 1 -16 6  19 o 241.6140 20.55952 13.92718       2.314494  14.80697       3.843679  13.42671       2.898994  246.2867 34.09115 236.0749 26.56690 10.21178       43.22045 
1 1 1 -16 6  20 o 1136.260 15.05413 305.1261       8.046417  301.1223       11.41797  309.0761       11.34113  1125.951 21.55757 1140.943 21.13114 -14.99182      30.18698 
1 1 1 -16 6  21 o 425.0788 24.86166 43.32932       4.949631  43.32932       4.949631  0.000000       0.000000  425.0788 24.86166 ?        ?        0.000000       24.86166 
1 1 1 -16 6  22 o 387.2667 16.93340 35.59949       3.084776  40.78699       4.900021  32.19379       3.970288  411.4326 25.44288 366.1289 23.17205 45.30374       34.41343 
1 1 1 -16 6  23 o 366.6357 17.86384 32.01098       3.080908  32.53722       4.644526  31.59747       4.117119  365.7632 27.18868 361.5958 24.34649 4.167480       36.49624 
1 1 1 -16 6  24 o 507.1215 15.64930 61.18935       3.733157  63.36768       5.798920  59.64761       4.878533  512.0699 24.07402 498.5020 20.80429 13.56787       31.81787 
1 1 1 -16 6  25 o 143.4236 41.35052 5.461911       2.943099  -3.243163      6.374065  7.820662       3.317961  110.4433 51.25178 171.0238 41.63374 -60.58052      66.03115 
1 1 1 -16 6  26 o 313.4283 21.15978 23.89058       3.101474  21.30247       4.572466  26.09599       4.220892  288.2809 34.39751 323.7522 27.99080 -35.47125      44.34719 
1 1 1 -16 6  27 o 308.3777 22.08370 23.29498       3.182287  20.20608       4.740117  25.82956       4.293782  277.2174 37.29588 320.4585 28.79110 -43.24109      47.11593 
1 1 1 -16 6  28 o 360.7081 26.46420 32.55714       4.459050  34.69007       5.100850  25.64507       9.182440  369.6666 29.58125 272.0787 70.99478 97.58789       76.91105 
1 1 1 -16 6  29 o 221.9974 40.07846 13.62252       4.031305  0.000000       0.000000  13.62252       4.031305  ?        ?        221.9974 40.07846 0.000000       40.07846 
1 1 1 -16 6  30 o 320.5456 23.59601 25.79449       3.532918  21.64942       4.945182  30.11549       5.049037  279.4481 38.65443 337.6514 32.17789 -58.20328      50.29495 
1 1 1 -16 6  31 o 254.8474 39.15986 18.56376       4.544303  0.000000       0.000000  18.56376       4.544303  ?        ?        254.8474 39.15986 0.000000       39.15986 
1 1 1 -16 6  32 o 216.0938 36.21064 13.43312       3.550623  8.489894       5.948678  16.16882       4.425371  145.3391 57.90508 229.8909 42.48720 -84.55176      71.82033 
1 1 1 -16 6  33 o 170.6637 49.02000 10.55487       4.143072  12.97563       6.011675  8.365043       5.717747  167.1580 60.04649 137.6035 56.07356 29.55450       82.15732 
1 1 1 -16 6  34 o 127.0928 53.81679 7.936980       5.562361  7.936980       5.562361  0.000000       0.000000  127.0928 53.81679 ?        ?        0.000000       53.81679 
1 1 1 -16 8  1  o 528.8003 14.11760 65.83515       3.511735  62.67312       5.067179  68.75744       4.871298  515.6380 20.89066 540.1808 19.17063 -24.54279      28.35370 
1 1 1 -16 8  2  o 432.0101 14.26663 43.94112       2.899243  35.62734       4.194643  51.54578       4.011766  387.9974 23.08675 467.7506 18.23274 -79.75317      29.41821 
1 1 1 -16 8  3  o 931.2139 18.35233 204.2986       8.039148  204.2986       8.039148  0.000000       0.000000  931.2139 18.35233 ?        ?        0.000000       18.35233 
1 1 1 -16 8  4  o 853.9321 17.14160 171.7574       6.885637  171.7574       6.885637  0.000000       0.000000  853.9321 17.14160 ?        ?        0.000000       17.14160 
1 1 1 -16 8  5  o 441.0558 12.06853 45.78611       2.503902  41.86235       3.250042  51.51606       3.927475  421.6081 16.38742 467.6440 17.85372 -46.03598      24.23433 
1 1 1 -16 8  6  o 1203.906 19.20778 341.5084       10.87775  317.4792       14.94126  368.6088       15.86740  1159.708 27.38857 1249.673 26.99231 -89.96533      38.45411 
1 1 1 -16 8  7  o 194.4655 18.75323 8.992229       1.694223  8.584954       1.731034  18.26397       8.259290  189.8586 19.66758 270.5423 65.58118 -80.68367      68.46681 
1 1 1 -16 8  8  o 338.8971 11.37017 27.03065       1.812610  25.98207       2.129462  29.78887       3.453690  332.2118 13.62654 354.8943 20.77845 -22.68253      24.84807 
1 1 1 -16 8  9  o 869.0170 11.63576 177.7484       4.756552  180.6717       6.228859  173.6590       7.367047  875.9192 15.11733 858.5162 18.24213 17.40295       23.69196 
1 1 1 -16 8  10 o 519.6078 10.86937 63.54484       2.656742  66.11619       3.362062  59.26957       4.335177  529.9212 13.48730 501.5134 18.37617 28.40781       22.79454 
1 1 1 -16 8  11 o 752.9460 11.06179 133.4417       3.917947  136.0021       5.302977  130.3643       5.813819  759.9083 14.83506 743.8641 16.61493 16.04419       22.27409 
1 1 1 -16 8  12 o 454.2430 11.56674 48.57401       2.471544  49.38104       3.241366  47.45307       3.820081  457.8593 15.04966 448.6810 18.09946 9.178314       23.53896 
1 1 1 -16 8  13 o 634.5479 13.58846 94.83332       4.056054  97.07765       4.664253  87.87159       8.214806  641.8846 15.44741 609.3814 28.65753 32.50323       32.55575 
1 1 1 -16 8  14 o 490.3346 16.54292 56.67714       3.815698  56.67714       3.815698  0.000000       0.000000  490.3346 16.54292 ?        ?        0.000000       16.54292 
1 1 1 -16 8  15 o 576.5108 11.76668 78.27465       3.191028  77.13010       4.569488  79.36411       4.458162  571.8762 16.98620 580.1582 16.33579 -8.282043      23.56669 
1 1 1 -16 8  16 o 571.7267 12.26884 77.00680       3.299600  82.91516       4.971620  72.35545       4.411168  592.7139 17.83132 553.7803 16.93350 38.93359       24.59064 
1 1 1 -16 8  17 o 509.7198 12.83889 61.23928       3.078423  64.92297       4.815738  58.69389       4.003122  524.0917 19.53378 498.6063 17.06758 25.48547       25.93975 
1 1 1 -16 8  18 o 833.0602 14.84733 163.7952       5.818274  182.0749       11.15131  156.9574       6.820202  874.7866 27.09907 814.8705 17.79260 59.91614       32.41814 
1 1 1 -16 8  19 o 593.9221 13.15883 83.24526       3.676343  76.47153       5.426253  88.99276       4.998336  567.9284 20.31128 613.3280 17.32461 -45.39960      26.69625 
1 1 1 -16 8  20 o 1135.130 15.01290 304.6948       8.016403  298.9582       11.43305  310.2425       11.24315  1121.137 21.67875 1142.537 20.91936 -21.40015      30.12620 
1 1 1 -16 8  21 o 308.4563 19.09126 22.69955       2.756497  22.93253       4.607829  22.56970       3.439894  306.0178 32.50736 306.3010 24.06794 -0.2832336     40.44743 
1 1 1 -16 8  22 o 261.3596 29.57336 16.75105       3.571893  15.42670       4.011271  21.82224       7.849388  248.5639 35.29800 282.5974 60.84698 -34.03351      70.34418 
1 1 1 -16 8  23 o 230.0729 23.64145 12.86925       2.522249  11.83674       4.009121  13.54563       3.244876  213.7025 41.37653 233.7838 30.21318 -20.08122      51.23332 
1 1 1 -16 8  24 o 360.4791 20.21376 31.29062       3.413825  41.05232       7.997150  29.11539       3.775068  397.4001 43.48952 346.3596 23.30569 51.04050       49.34059 
1 1 1 -16 8  25 o 285.4796 23.21074 19.90393       3.089986  15.92152       5.724493  21.54136       3.670671  237.8655 52.56087 295.3338 26.71090 -57.46837      58.95861 
1 1 1 -16 8  26 o 275.8557 22.54855 18.63172       2.900388  14.83349       4.543421  21.24420       3.768065  234.3743 42.78673 291.7926 27.78771 -57.41835      51.01825 
1 1 1 -16 8  27 o 64.77319 30.75899 -2.680259      2.537336  -4.235511      3.813145  -1.444412      3.399110  77.09634 36.91346 83.97252 38.40488 -6.876175      53.26855 
1 1 1 -16 8  28 o 179.1066 34.19971 8.509528       2.776306  8.306486       4.256207  8.659904       3.662845  167.2693 50.13398 174.3337 44.51077 -7.064362      67.04196 
1 1 1 -16 8  29 o 215.5665 30.95457 12.14240       3.048821  14.28304       4.511935  10.34369       4.135929  223.0335 44.56433 186.7654 47.08831 36.26814       64.83278 
1 1 1 -16 8  30 o 293.9980 27.76289 22.30645       3.794080  23.48395       7.520285  21.90440       4.394328  259.1259 62.43366 285.9727 33.28914 -26.84674      70.75401 
1 1 1 -16 8  31 o 158.5527 44.15864 7.812307       3.415493  6.459572       6.334792  8.366708       4.055439  137.6539 57.81284 159.1413 49.19038 -21.48747      75.90795 
1 1 1 -16 8  32 o 121.4961 44.67225 4.739859       3.353965  -1.981273      5.420279  8.910027       4.269502  93.39586 44.52273 157.3876 50.71662 -63.99179      67.48666 
1 1 1 -16 8  33 o 129.8682 48.54421 6.405599       3.991255  2.516944       5.598366  10.42509       5.691767  106.2994 48.86214 149.2230 57.46045 -42.92358      75.42686 
1 1 1 -16 10 1  o 565.5292 14.10676 75.28732       3.752766  67.10474       5.478537  82.52081       5.151018  533.5946 21.82649 591.8912 18.50043 -58.29663      28.61226 
1 1 1 -16 10 2  o 1426.579 17.75150 479.3224       11.91243  471.8463       14.89959  492.5684       19.83263  1414.837 22.38715 1444.469 29.18790 -29.63184      36.78475 
1 1 1 -16 10 3  o 582.0044 18.08522 79.78473       4.951302  79.78473       4.951302  0.000000       0.000000  582.0044 18.08522 ?        ?        0.000000       18.08522 
1 1 1 -16 10 4  o 119.2533 28.95488 3.491882       1.608011  2.264753       2.308097  4.649228       2.241508  105.1906 37.26764 137.5669 34.65519 -32.37634      50.89066 
1 1 1 -16 10 5  o 802.9354 12.88694 151.7517       4.867430  154.7950       6.264777  147.1165       7.731479  810.7526 16.42661 790.0919 20.80251 20.66077       26.50618 
1 1 1 -16 10 6  o 1121.977 14.79479 296.3890       7.808394  291.1973       9.475839  307.3722       13.78252  1111.816 18.11822 1141.375 25.67032 -29.55884      31.42030 
1 1 1 -16 10 7  o 410.8897 10.86808 39.73270       2.100619  39.10016       2.409533  41.73603       4.288107  407.5651 12.56801 420.1849 21.76946 -12.61981      25.13691 
1 1 1 -16 10 8  o 1163.500 13.84223 318.7250       7.576034  323.2605       9.941895  312.4438       11.69971  1171.331 18.04347 1151.135 21.60626 20.19678       28.14956 
1 1 1 -16 10 9  o 534.3098 13.55829 67.21722       3.407747  66.61713       4.510879  68.01498       5.201036  531.7052 18.03520 537.1042 20.58553 -5.398987      27.36846 
1 1 1 -16 10 10 o 413.1577 11.78396 40.18293       2.290216  38.48567       2.643252  45.29419       4.587006  404.2705 13.89944 437.5962 22.35829 -33.32568      26.32656 
1 1 1 -16 10 11 o 1175.285 13.80737 325.2968       7.633492  318.7641       9.935382  334.7095       11.92597  1162.882 18.16267 1191.122 21.28472 -28.23999      27.98074 
1 1 1 -16 10 12 o 1077.975 13.27567 273.6663       6.731852  290.9591       9.582691  256.8168       9.459064  1110.857 18.33834 1043.513 19.26997 67.34399       26.60125 
1 1 1 -16 10 13 o 742.9280 15.62019 130.0782       5.458863  135.1070       7.794764  125.2378       7.647345  756.4196 21.90639 728.2132 22.32456 28.20642       31.27740 
1 1 1 -16 10 14 o 1171.972 19.37316 324.1851       10.68039  324.1851       10.68039  0.000000       0.000000  1171.972 19.37316 ?        ?        0.000000       19.37316 
1 1 1 -16 10 15 o 126.8158 29.57253 3.969935       1.731689  1.955621       2.625987  5.519928       2.303530  104.6786 39.32713 149.3941 33.59399 -44.71550      51.72213 
1 1 1 -16 10 16 o 266.5085 16.14265 16.82189       2.014198  20.12374       3.325075  14.90801       2.531520  290.3773 24.57333 250.0833 21.73542 40.29399       32.80667 
1 1 1 -16 10 17 o 611.5504 14.23020 88.23738       4.093667  90.21999       7.613177  87.43100       4.855315  616.0871 26.26966 608.3522 16.96653 7.734863       31.27233 
1 1 1 -16 10 18 o 247.5135 19.39456 14.59752       2.240058  25.99584       5.020418  11.76421       2.503030  327.5706 33.03204 221.1050 24.47626 106.4655       41.11208 
1 1 1 -16 10 19 o 568.2541 13.22475 76.25116       3.535080  78.32136       5.474650  74.77071       4.629639  574.3871 20.26200 561.8726 17.51620 12.51453       26.78369 
1 1 1 -16 10 20 o 259.3882 19.51718 16.07718       2.363968  18.74223       4.131567  14.78003       2.882419  276.6349 32.36118 247.3455 25.12193 29.28944       40.96776 
1 1 1 -16 10 21 o 608.0872 13.78052 87.51326       3.941857  91.60696       6.159464  84.67368       5.129941  619.5541 21.13462 596.7377 18.27509 22.81641       27.94014 
1 1 1 -16 10 22 o 500.9632 15.49728 59.58452       3.651999  59.62563       5.405255  59.54999       4.953656  498.3140 23.05918 498.8253 21.11097 -0.5112610     31.26337 
1 1 1 -16 10 23 o 334.1434 17.69363 26.71641       2.771209  28.70070       4.639446  25.61575       3.455343  341.4969 29.16038 325.3723 22.71828 16.12457       36.96549 
1 1 1 -16 10 24 o 309.7234 20.22575 23.16049       2.930602  15.57855       4.572747  28.44528       3.817690  243.6889 41.37008 341.6856 23.90282 -97.99669      47.77895 
1 1 1 -16 10 25 f 203.2646 27.76906 10.34603       2.585710  3.737360       4.206950  14.35827       3.277958  128.7030 49.44067 238.9576 29.81009 -110.2546      57.73233 
1 1 1 -16 10 26 o 371.1490 20.80505 33.47850       3.617699  37.60405       7.088172  32.02526       4.206892  377.2021 40.58636 360.4445 24.96528 16.75760       47.64995 
1 1 1 -16 10 27 o 127.1619 38.19793 4.342977       2.468775  2.930773       3.939491  5.256229       3.168013  118.3107 47.12679 138.1520 43.60032 -19.84131      64.20219 
1 1 1 -16 10 28 o 95.17965 37.56534 1.743506       2.481861  1.884523       4.080169  1.660688       3.126844  110.2275 46.35132 100.5183 41.27130 9.709137       62.06259 
1 1 1 -16 10 29 o 119.1481 50.45370 2.766858       4.889040  2.227705       6.575469  3.433413       7.311201  125.0711 55.62363 133.3908 59.01973 -8.319702      81.10065 
1 1 1 -16 10 30 o 263.4746 29.72815 18.26192       3.620059  4.765161       6.128524  25.49481       4.486387  131.7571 56.16543 310.0815 31.18022 -178.3244      64.23988 
1 1 1 -16 10 31 o 265.3173 29.74133 18.86268       3.648008  12.68431       6.067091  22.36122       4.565490  178.3167 60.57011 282.6117 35.09787 -104.2950      70.00427 
1 1 1 -16 10 32 o 148.2146 55.01028 8.900120       5.107480  0.000000       0.000000  8.900120       5.107480  ?        ?        148.2146 55.01028 0.000000       55.01028 
1 1 1 -16 10 33 o 102.6276 47.17144 2.292212       5.216554  2.292212       5.216554  0.000000       0.000000  102.6276 47.17144 ?        ?        0.000000       47.17144 
1 1 1 -16 12 1  o 652.3926 12.20476 100.1722       3.745482  107.7217       6.604824  96.59357       4.547360  676.1026 20.76727 640.5203 15.09236 35.58228       25.67214 
1 1 1 -16 12 2  o 566.0387 13.21444 75.41850       3.518555  78.18129       5.189483  73.06778       4.786846  576.0608 19.15078 556.9451 18.27123 19.11566       26.46866 
1 1 1 -16 12 3  o 656.4984 17.50218 101.5149       5.404994  101.5149       5.404994  0.000000       0.000000  656.4984 17.50218 ?        ?        0.000000       17.50218 
1 1 1 -16 12 4  o 972.1971 13.99471 222.5153       6.400113  220.8551       8.071422  225.3270       10.50394  968.2867 17.72053 977.5495 22.84252 -9.262756      28.91017 
1 1 1 -16 12 5  o 836.3213 13.14091 164.6506       5.169730  167.9014       6.583827  159.4233       8.348760  844.3198 16.57685 822.3320 21.58269 21.98785       27.21405 
1 1 1 -16 12 6  o 235.3624 16.94819 13.11623       1.863859  13.10957       2.199960  13.13318       3.508536  234.9832 20.09584 233.3829 32.86913 1.600311       38.52561 
1 1 1 -16 12 7  o 1250.494 13.96139 368.1924       8.212583  375.6125       9.629406  348.3948       15.72896  1262.793 16.21056 1214.506 27.53156 48.28662       31.94947 
1 1 1 -16 12 8  f 763.6033 11.52784 137.2519       4.140808  137.0453       4.684129  137.9905       8.857883  762.9437 13.05170 764.5792 24.62851 -1.635559      27.87311 
1 1 1 -16 12 9  o 605.6747 11.55100 86.35528       3.291004  88.22950       3.933176  81.97968       6.009687  612.1080 13.65985 589.4971 21.67209 22.61096       25.61779 
1 1 1 -16 12 10 o 517.9875 11.83915 63.16857       2.884756  63.07476       3.296124  63.47561       5.963097  517.5251 13.53951 518.4209 24.45232 -0.8957520     27.95056 
1 1 1 -16 12 11 o 441.4855 12.39735 45.89678       2.574629  46.31069       2.974309  44.65966       5.142086  443.3877 14.26045 433.9620 25.29914 9.425629       29.04147 
1 1 1 -16 12 12 o 332.3271 15.37536 26.02825       2.403590  26.08104       2.572728  25.66588       6.740295  332.6159 16.44302 324.5269 45.39537 8.089020       48.28160 
1 1 1 -16 12 13 o 189.8982 22.50559 8.640838       1.971271  9.620272       2.338871  6.238688       3.662848  200.0441 25.42956 159.4944 46.17300 40.54968       52.71251 
1 1 1 -16 12 14 o 389.1361 16.14226 35.71918       2.954849  36.47339       3.241776  32.01546       7.183807  393.1209 17.53023 362.8726 42.91652 30.24838       46.35878 
1 1 1 -16 12 15 o 415.5401 13.57218 40.71112       2.652966  41.03622       3.668267  40.35461       3.841441  416.7437 18.71210 413.1589 19.76550 3.584778       27.21797 
1 1 1 -16 12 16 o 464.3907 14.60184 50.89291       3.189778  50.92153       5.712018  50.87994       3.845192  462.0500 26.38983 463.9791 17.61774 -1.929108      31.73024 
1 1 1 -16 12 17 o 562.8170 12.76156 74.73071       3.378626  79.94651       5.169074  70.84035       4.464239  581.0687 18.91106 547.2661 17.34122 33.80255       25.65826 
1 1 1 -16 12 18 o 192.2224 21.99535 8.895449       1.953057  4.927415       3.387602  10.87103       2.390302  142.1091 45.11139 212.2389 24.38481 -70.12978      51.28018 
1 1 1 -16 12 19 o 506.7829 15.15154 60.77620       3.612002  68.19263       7.255328  58.33238       4.164804  531.7349 29.11695 495.9037 17.85369 35.83115       34.15481 
1 1 1 -16 12 20 o 143.0717 29.38122 5.115177       1.911196  9.061023       3.890559  3.860114       2.194193  186.9461 44.82190 124.0688 35.68468 62.87737       57.29222 
1 1 1 -16 12 21 o 149.2135 33.63229 5.657775       2.304183  -1.551130      5.224097  7.398931       2.567411  108.7212 48.87420 171.2843 33.06211 -62.56308      59.00669 
1 1 1 -16 12 22 o 114.3343 34.12550 3.288653       1.975087  3.631931       3.714941  3.153387       2.331978  127.5218 46.99562 113.8424 37.53420 13.67947       60.14486 
1 1 1 -16 12 23 o 103.3869 45.27713 -0.9469537E-01 4.201572  -0.6914388     5.384694  0.8341261      6.717897  112.4810 50.15840 131.0201 57.31853 -18.53906      76.16613 
1 1 1 -16 12 24 o 455.9405 15.95270 49.62076       3.421461  45.51664       5.439270  52.30793       4.401264  430.0948 27.02217 466.1368 20.07219 -36.04208      33.66141 
1 1 1 -16 12 25 o 376.4276 17.76205 34.00969       3.145168  22.94566       4.839268  42.10098       4.138394  299.1011 35.05986 416.5672 21.18908 -117.4662      40.96549 
1 1 1 -16 12 26 o 87.62051 36.51431 0.8141639      2.497869  3.760405       5.263700  -0.4214906E-01 2.837744  133.0380 53.95567 85.33231 37.29422 47.70567       65.59019 
1 1 1 -16 12 27 o 367.5925 19.27064 32.83638       3.320605  24.83877       5.054008  38.91114       4.404747  307.9132 35.54610 397.0338 23.69233 -89.12061      42.71829 
1 1 1 -16 12 28 o 136.0495 48.70231 5.250720       3.951504  4.686858       4.563197  6.941142       7.900966  132.5126 51.33069 153.6034 64.54109 -21.09085      82.46449 
1 1 1 -16 12 29 o 106.8078 40.93789 2.767407       2.880332  2.861772       6.235533  2.741811       3.247565  124.9981 54.93924 108.6741 42.94582 16.32402       69.73280 
1 1 1 -16 12 30 o 85.53502 37.77746 0.2781146      2.982264  5.969085       5.586439  -1.990147      3.526862  135.9642 55.41808 79.37953 37.25544 56.58472       66.77673 
1 1 1 -16 12 31 o 381.1868 27.09714 38.30954       4.827169  33.32343       6.950745  42.95482       6.708970  323.3568 47.07808 385.6055 37.45922 -62.24869      60.16260 
1 1 1 -16 12 32 o 224.3616 40.80172 15.74044       4.147591  21.70928       6.063051  10.49049       5.686225  240.6228 54.79257 152.5242 57.74352 88.09863       79.60239 
1 1 1 -16 14 1  o 839.8583 12.51253 166.0342       4.943341  172.9209       8.049907  161.8649       6.263432  856.5706 19.97829 829.0327 16.06096 27.53790       25.63370 
1 1 1 -16 14 2  o 464.7365 16.56316 50.87116       3.620924  52.28984       4.616413  48.60286       5.837304  470.9768 20.83703 452.8631 27.53226 18.11371       34.52835 
1 1 1 -16 14 3  o 695.1136 13.99443 113.7641       4.575939  108.3283       5.404589  127.5268       8.599648  678.1384 16.94240 735.1301 24.86836 -56.99176      30.09120 
1 1 1 -16 14 4  o 125.6878 31.03135 3.883250       1.823694  4.780211       2.411869  2.685791       2.786744  139.4980 36.37802 114.8712 40.92289 24.62680       54.75439 
1 1 1 -16 14 5  f 324.5336 14.65787 24.80264       2.237690  23.25427       2.688158  28.29667       4.038146  313.6000 18.30206 345.3336 25.02829 -31.73355      31.00614 
1 1 1 -16 14 6  o 415.3826 12.72513 40.62227       2.486450  38.89237       2.857455  46.01665       5.045910  406.3657 14.94834 440.8504 24.42752 -34.48465      28.63838 
1 1 1 -16 14 7  o 1041.057 12.86473 255.1839       6.300055  254.0432       7.205083  258.8882       12.98383  1038.553 14.74827 1046.794 26.36770 -8.241211      30.21204 
1 1 1 -16 14 8  o 1113.052 15.53419 291.8764       8.133423  282.1519       9.509635  318.3710       15.69668  1093.972 18.47941 1160.114 28.76324 -66.14111      34.18790 
1 1 1 -16 14 9  o 922.7538 12.10583 200.4896       5.254723  199.0006       5.788751  207.4614       12.52564  919.2074 13.38758 936.3222 28.43842 -17.11481      31.43200 
1 1 1 -16 14 10 o 249.2063 15.41712 14.69148       1.798429  14.17042       1.950364  17.65033       4.647663  244.5683 17.05984 269.8509 37.63814 -25.28259      41.32394 
1 1 1 -16 14 11 o 622.1150 12.33363 91.15771       3.609365  92.53240       4.202605  87.29337       7.046181  626.6398 14.25710 607.5038 24.65673 19.13599       28.48191 
1 1 1 -16 14 12 o 746.3268 13.99449 131.2787       4.913098  133.7727       5.359894  118.1629       12.29160  753.2518 15.12679 702.7000 37.31892 50.55176       40.26812 
1 1 1 -16 14 13 o 518.3395 24.67848 63.66138       6.017305  0.000000       0.000000  63.66138       6.017305  ?        ?        518.3395 24.67848 0.000000       24.67848 
1 1 1 -16 14 14 o 1030.910 13.83459 250.6469       6.708977  265.4352       9.113303  233.1496       9.912905  1059.813 18.28005 992.4492 21.23359 67.36328       28.01831 
1 1 1 -16 14 15 o 245.4759 22.80210 14.41535       2.602930  16.46051       2.871101  4.976219       6.168105  262.3151 23.51756 159.6782 60.21556 102.6369       64.64510 
1 1 1 -16 14 16 f 355.0937 15.01264 29.78800       2.507663  33.17958       3.641814  26.73004       3.458060  373.4415 20.81402 334.8113 22.08046 38.63019       30.34420 
1 1 1 -16 14 17 o 170.3160 26.11640 7.081264       2.025614  6.110280       3.095163  7.808690       2.678995  155.4084 41.54064 177.2577 33.35307 -21.84930      53.27337 
1 1 1 -16 14 18 o 410.5553 14.37514 39.86461       2.776214  42.01978       4.431776  38.47265       3.561648  419.2369 22.55532 402.5332 18.80962 16.70367       29.36910 
1 1 1 -16 14 19 f 165.8643 28.11182 6.800236       2.115030  6.807373       4.732008  6.798455       2.364343  163.8230 53.44093 164.8966 31.63169 -1.073624      62.10070 
1 1 1 -16 14 20 o 110.7185 32.23120 3.059337       1.780394  5.455170       3.448857  2.188910       2.078803  146.2083 45.39076 99.87234 35.36973 46.33596       57.54424 
1 1 1 -16 14 21 o 357.5521 15.55272 30.37950       2.615862  29.29001       4.432365  30.96178       3.240354  346.3928 27.42603 359.5047 19.23072 -13.11194      33.49638 
1 1 1 -16 14 22 o 116.0233 34.75819 3.410771       2.046199  -0.7080857     5.506821  4.070549       2.203999  113.9524 50.77591 125.8388 35.62370 -11.88643      62.02613 
1 1 1 -16 14 23 o 533.0253 17.73372 67.97604       4.446488  58.11535       7.696129  72.91680       5.447731  480.8814 34.24616 550.1537 21.05049 -69.27237      40.19854 
1 1 1 -16 14 24 o 157.1379 30.57159 6.313483       2.178453  5.611104       3.903160  6.631269       2.625412  145.0665 48.58548 159.0499 35.93766 -13.98340      60.43231 
1 1 1 -16 14 25 o 341.4709 18.85443 28.16196       3.016826  29.36657       4.799507  27.37515       3.878901  341.9327 30.14771 333.4336 24.91024 8.499146       39.10760 
1 1 1 -16 14 26 o 292.6371 20.54785 20.88456       2.810627  17.52626       4.792135  22.64556       3.470154  254.7221 41.41674 302.4971 24.60009 -47.77501      48.17168 
1 1 1 -16 14 27 o 141.7128 36.60320 5.468343       2.457196  15.18133       6.180603  3.644913       2.677928  218.3874 58.83948 117.6757 40.23957 100.7117       71.28329 
1 1 1 -16 14 28 o 353.6304 21.96261 30.97562       3.635386  40.13080       7.478018  28.14232       4.160055  377.7766 42.83793 332.9656 26.78679 44.81100       50.52346 
1 1 1 -16 14 29 o 257.1264 32.29844 17.68837       3.820383  9.286565       6.027755  23.32937       4.939098  160.5163 59.72443 290.4669 36.98694 -129.9506      70.24986 
1 1 1 -16 14 30 o 173.2494 50.98495 10.20776       4.433559  10.27051       5.832525  10.12188       6.823437  162.1958 59.01950 156.2632 62.09239 5.932678       85.66660 
1 1 1 -16 14 31 o 175.2092 44.29874 9.981311       3.653149  9.048752       5.214921  10.87991       5.119079  149.5909 55.57304 165.5733 55.63998 -15.98242      78.63950 
1 1 1 -16 16 1  o 87.85240 32.78305 1.377545       1.818741  4.360349       3.800787  0.4917092      2.071275  140.6844 47.94000 81.65398 33.56558 59.03038       58.52258 
1 1 1 -16 16 2  o 253.2139 25.60893 15.29539       3.008406  14.17129       3.824635  17.11950       4.872070  242.1746 34.55286 265.5359 40.26832 -23.36128      53.06070 
1 1 1 -16 16 3  o 836.1006 16.69164 164.7169       6.564881  0.000000       0.000000  164.7169       6.564881  ?        ?        836.1006 16.69164 0.000000       16.69164 
1 1 1 -16 16 4  f 824.3218 13.75907 160.0243       5.335254  163.9826       6.719124  153.2699       8.777031  834.1635 17.12349 805.7990 23.15536 28.36444       28.79904 
1 1 1 -16 16 5  o 722.4979 12.36459 122.9083       4.202287  118.2956       4.863180  136.5042       8.349209  708.6607 14.58857 760.3592 23.34303 -51.69849      27.52678 
1 1 1 -16 16 6  o 143.1075 27.42537 5.004916       1.779021  5.834302       1.999068  1.847503       3.900452  154.6141 28.53716 118.6280 47.00620 35.98615       54.99047 
1 1 1 -16 16 7  o 243.1185 24.98434 14.11704       2.816649  8.799255       3.445016  24.83948       4.891843  188.7225 40.04585 321.9640 32.75570 -133.2415      51.73592 
1 1 1 -16 16 8  o 545.5928 11.37743 70.09240       2.919996  68.41808       3.199197  78.44828       7.146902  538.9665 12.61856 575.7656 26.38778 -36.79907      29.24967 
1 1 1 -16 16 9  o 462.1603 11.34604 50.29978       2.466644  50.04916       2.666832  51.78359       6.488993  460.9573 12.29888 466.3031 29.73785 -5.345764      32.18077 
1 1 1 -16 16 10 f 373.7144 11.97429 32.89989       2.105033  34.11938       2.263172  25.07729       5.731990  380.5435 12.64282 321.7370 38.64673 58.80652       40.66216 
1 1 1 -16 16 11 f 332.3346 13.86630 26.03848       2.167731  26.03848       2.167731  0.000000       0.000000  332.3346 13.86630 ?        ?        0.000000       13.86630 
1 1 1 -16 16 12 o 454.4731 13.17149 48.69762       2.815868  48.01295       3.154671  51.38140       6.245766  451.1175 14.86603 463.8574 28.76598 -12.73993      32.38025 
1 1 1 -16 16 13 o 693.9824 13.23367 113.5923       4.320140  116.0870       5.156777  107.7200       7.911778  701.1746 15.63446 673.4045 24.97634 27.77008       29.46615 
1 1 1 -16 16 14 o 167.6378 28.11353 6.879514       2.138463  7.342867       2.369767  4.847501       4.962643  172.8459 30.24773 150.5083 54.49044 22.33763       62.32281 
1 1 1 -16 16 15 o 592.6198 19.79792 83.28194       5.519059  90.39835       6.755189  68.99525       9.571345  616.4537 23.29527 532.1389 38.49644 84.31476       44.99606 
1 1 1 -16 16 16 o 347.2781 16.60255 28.55473       2.712198  29.48278       3.438957  27.02762       4.411382  351.5998 20.88641 334.6424 28.28865 16.95743       35.16375 
1 1 1 -16 16 17 o 97.31775 41.78542 0.5534134E-01  3.436513  0.2566885      3.911632  -0.6257432     7.194254  104.7415 44.76578 133.7556 58.89480 -29.01407      73.97684 
1 1 1 -16 16 18 o 131.1714 35.79659 4.351326       2.270380  5.010116       3.221170  3.700952       3.200534  141.2454 43.86965 126.4941 43.95490 14.75127       62.10136 
1 1 1 -16 16 19 o 542.1917 13.94340 69.63773       3.556239  75.81545       5.486424  65.16148       4.670169  563.3218 20.70444 522.8905 18.98683 40.43127       28.09223 
1 1 1 -16 16 20 o 97.84700 33.94951 2.172712       1.908959  7.241380       4.621281  1.129874       2.096157  165.4267 52.70784 87.03685 34.46863 78.38982       62.97779 
1 1 1 -16 16 21 o 73.58411 30.85803 0.3249357      1.800365  3.273230       3.554894  -0.6921341     2.087933  122.7485 45.82737 69.82957 31.17932 52.91895       55.42831 
1 1 1 -16 16 22 o 461.8465 14.80138 50.73737       3.215653  46.28765       4.973962  53.93267       4.214948  436.3759 24.32785 474.5018 18.88361 -38.12595      30.79667 
1 1 1 -16 16 23 o 151.6500 29.83719 5.854030       2.052665  0.8076617      3.649896  8.188442       2.482446  102.4266 43.49545 179.8031 30.43637 -77.37650      53.08697 
1 1 1 -16 16 24 o 141.3827 45.16120 5.364305       3.391038  3.488748       3.835945  12.07194       7.254240  124.3385 47.34181 197.0628 66.23486 -72.72427      81.41439 
1 1 1 -16 16 25 o 152.3748 32.47398 6.061465       2.256463  4.640954       4.213803  6.632565       2.671827  134.8932 49.98610 157.6834 36.70762 -22.79018      62.01660 
1 1 1 -16 16 26 o 110.6229 35.87353 3.179095       2.133562  -1.782374      4.180460  4.926601       2.481009  91.29137 42.05961 134.6657 37.68216 -43.37435      56.47084 
1 1 1 -16 16 27 o 170.5331 34.54180 7.825013       2.675933  6.144471       6.124673  8.221498       2.974895  145.9810 58.55199 172.9671 37.63290 -26.98611      69.60295 
1 1 1 -16 16 28 o 303.0216 23.31083 23.04113       3.297279  11.93520       5.789134  28.37389       4.011545  185.1315 58.99377 334.1998 25.71479 -149.0683      64.35461 
1 1 1 -16 16 29 o 345.0845 22.24247 29.97882       3.591357  22.28894       6.170482  33.91824       4.416473  262.8181 51.75262 362.7815 26.05331 -99.96338      57.94057 
1 1 1 -16 16 30 o 210.5259 37.85198 12.98113       3.610739  11.38823       5.296855  14.36385       4.935036  171.5103 56.56942 204.1491 51.41753 -32.63876      76.44515 
1 1 1 -16 18 1  o 651.8281 12.89668 100.0676       3.954396  92.66616       6.087582  105.4706       5.201169  626.5956 20.65324 668.9028 16.52984 -42.30725      26.45358 
1 1 1 -16 18 2  o 213.5047 28.74350 10.98584       2.813444  13.15114       3.658914  7.853746       4.400583  232.8754 34.43979 178.4039 50.27873 54.47154       60.94301 
1 1 1 -16 18 3  o 838.3528 12.22294 165.5212       4.820277  166.6926       6.954628  164.4382       6.687045  840.7343 17.58514 835.0997 17.02263 5.634521       24.47462 
1 1 1 -16 18 4  o 333.6841 13.90220 26.23430       2.182169  27.08676       3.023056  25.30688       3.153159  338.2686 19.07617 326.7489 20.62034 11.51962       28.09090 
1 1 1 -16 18 5  o 517.5859 14.26217 63.13232       3.472460  65.22181       4.256980  58.97741       6.002923  525.8477 17.20966 498.5257 25.68529 27.32205       30.91774 
1 1 1 -16 18 6  o 274.9225 16.24790 17.88714       2.091913  19.25243       2.318282  11.90250       4.853695  285.1375 17.36670 218.2253 48.53653 66.91214       51.54995 
1 1 1 -16 18 7  o 410.2969 17.94320 39.73591       3.463120  41.96679       4.410120  36.14745       5.593276  420.6584 22.36737 388.8043 30.83495 31.85413       38.09322 
1 1 1 -16 18 8  o 567.1486 11.61774 75.77752       3.099473  75.88058       3.415905  75.29727       7.373673  567.4356 12.79735 563.1804 27.83345 4.255249       30.63451 
1 1 1 -16 18 9  o 373.7186 12.49647 32.91750       2.196855  33.25585       2.354928  30.64804       6.099013  375.5809 13.32922 355.9597 36.96312 19.62119       39.29301 
1 1 1 -16 18 10 o 659.7901 11.43996 102.5854       3.550582  101.6779       3.832308  108.0856       9.434815  656.7545 12.40475 673.5226 29.77912 -16.76807      32.25948 
1 1 1 -16 18 11 o 358.9877 20.98253 30.63068       3.527869  33.35315       4.224937  24.36088       6.411585  374.0405 24.14110 313.9345 44.67725 60.10599       50.78238 
1 1 1 -16 18 12 o 395.8940 12.72820 36.97224       2.370364  37.54961       2.516560  32.43163       7.057290  398.9086 13.41111 363.3443 42.06868 35.56427       44.15463 
1 1 1 -16 18 13 o 324.8747 15.69833 24.94893       2.399046  28.46439       2.686413  11.10395       5.331236  346.9226 16.46155 207.3631 54.08938 139.5596       56.53887 
1 1 1 -16 18 14 o 715.4339 21.78795 121.7004       7.332551  121.7004       7.332551  0.000000       0.000000  715.4339 21.78795 ?        ?        0.000000       21.78795 
1 1 1 -16 18 15 o 586.0476 16.59406 81.35823       4.574618  81.35823       4.574618  0.000000       0.000000  586.0476 16.59406 ?        ?        0.000000       16.59406 
1 1 1 -16 18 16 o 191.5390 28.82190 9.019988       2.516404  8.849730       2.702863  10.12782       6.894584  188.9169 31.52574 196.3207 64.52940 -7.403793      71.81863 
1 1 1 -16 18 17 o 211.9078 24.54025 10.90711       2.400949  11.41578       2.880809  9.750197       4.344608  215.5009 29.16764 192.7526 48.07711 22.74837       56.23309 
1 1 1 -16 18 18 o 298.2746 19.65296 21.31379       2.742038  21.15705       3.664112  21.51329       4.133907  294.9249 26.70071 296.1175 30.09576 -1.192627      40.23285 
1 1 1 -16 18 19 o 356.3522 17.15238 30.22991       2.875234  23.02878       3.939463  38.43843       4.206002  307.0118 27.57197 399.5294 22.47080 -92.51761      35.56895 
1 1 1 -16 18 20 o 123.3295 35.84014 3.876765       2.203126  1.922942       3.469882  5.196411       2.851680  110.2834 44.12887 141.4447 40.68098 -31.16125      60.01916 
1 1 1 -16 18 21 o 109.5303 37.03602 2.880243       2.268262  2.422117       4.848267  3.008619       2.566465  125.6350 51.46507 112.9844 39.35511 12.65058       64.78794 
1 1 1 -16 18 22 o 172.3680 26.88264 7.412530       2.108589  0.1867833      3.410533  11.88353       2.682768  95.61979 41.34398 219.2008 26.56005 -123.5810      49.14022 
1 1 1 -16 18 23 o 358.7831 16.76492 30.79547       2.829455  26.49025       4.714726  33.21882       3.537255  324.8425 31.23944 370.6349 20.36665 -45.79245      37.29213 
1 1 1 -16 18 24 o 377.3855 17.43905 34.20318       3.095832  28.13400       4.910416  38.20704       3.988343  333.2545 31.70582 396.2334 21.47818 -62.97888      38.29584 
1 1 1 -16 18 25 o 227.6896 23.75933 12.85806       2.507276  13.38198       4.353865  12.59810       3.066858  219.9231 43.62606 221.9744 30.15147 -2.051376      53.03154 
1 1 1 -16 18 26 o 91.18932 35.42723 1.661303       2.178565  0.4971503      4.125124  2.111588       2.565525  101.6436 44.67960 99.55103 38.50911 2.092529       58.98489 
1 1 1 -16 18 27 o 132.9230 37.91573 4.966409       2.486972  8.540429       5.126387  3.866352       2.844070  161.2982 55.65283 118.7332 41.42489 42.56499       69.37766 
1 1 1 -16 18 28 o 180.3065 40.98212 9.523648       3.397144  0.000000       0.000000  9.523648       3.397144  ?        ?        180.3065 40.98212 0.000000       40.98212 
1 1 1 -16 18 29 o 103.5271 41.55561 2.679063       3.087593  2.725327       4.832425  2.647146       4.013702  111.8134 48.77282 107.7161 45.66928 4.097275       66.81670 
1 1 1 -16 20 1  o 528.5228 17.61029 65.93438       4.378241  58.23751       5.473526  79.60762       7.295348  496.0356 23.45768 579.3980 26.76700 -83.36240      35.59122 
1 1 1 -16 20 2  o 476.8892 16.79319 53.66758       3.767212  52.28894       7.182509  54.19077       4.424666  467.4326 32.87464 478.9171 19.64042 -11.48447      38.29475 
1 1 1 -16 20 3  o 755.0780 17.22978 134.5814       6.119852  134.5814       6.119852  0.000000       0.000000  755.0780 17.22978 ?        ?        0.000000       17.22978 
1 1 1 -16 20 4  o 424.3351 14.56866 42.46407       2.908024  44.47087       4.192928  40.60406       4.036654  433.6715 20.55357 414.3719 20.70914 19.29962       29.17734 
1 1 1 -16 20 5  o 244.3886 18.59813 14.19275       2.122011  14.73871       2.398989  12.22949       4.549207  248.7772 20.68736 221.2514 45.23638 27.52580       49.74231 
1 1 1 -16 20 6  o 359.2741 21.22792 30.65631       3.571659  24.42570       4.512068  41.11177       5.844960  318.7880 30.45947 414.3768 30.19361 -95.58887      42.88862 
1 1 1 -16 20 7  o 331.5182 14.86904 25.93537       2.318781  25.72460       2.517659  27.11356       5.952506  330.0651 16.21542 333.7366 38.63050 -3.671478      41.89577 
1 1 1 -16 20 8  o 588.2715 11.81655 81.57814       3.269926  80.32056       3.553573  88.52557       8.352388  583.5883 12.94462 609.3340 29.13976 -25.74573      31.88556 
1 1 1 -16 20 9  o 680.9371 11.75494 109.3208       3.765277  112.0881       4.161189  96.81927       8.844537  689.3421 12.83256 636.7531 29.52805 52.58905       32.19596 
1 1 1 -16 20 10 o 334.6827 13.35987 26.43516       2.103318  26.43516       2.103318  0.000000       0.000000  334.6827 13.35987 ?        ?        0.000000       13.35987 
1 1 1 -16 20 11 f 494.9350 11.89342 57.78533       2.769009  57.86045       2.948325  57.22355       8.062942  495.1598 12.65787 485.6861 35.53812 9.473694       37.72506 
1 1 1 -16 20 12 o 334.7370 13.62081 26.46668       2.144747  26.32999       2.262487  27.67836       6.736226  333.7868 14.40946 333.1854 44.06033 0.6014404      46.35672 
1 1 1 -16 20 13 o 252.2734 16.63441 15.13816       1.962926  16.15448       2.062886  5.407254       6.383199  260.5903 16.92018 161.4456 61.16590 99.14471       63.46306 
1 1 1 -16 20 14 o 240.1715 21.28036 13.84335       2.379301  13.69143       2.549397  14.86920       6.624805  238.4402 23.01545 235.5325 59.71164 2.907761       63.99368 
1 1 1 -16 20 15 o 483.5026 17.22924 55.49170       3.918629  55.49170       3.918629  0.000000       0.000000  483.5026 17.22924 ?        ?        0.000000       17.22924 
1 1 1 -16 20 16 o 464.1806 16.76380 51.16299       3.660401  54.63734       4.101740  37.57432       8.111845  479.2781 18.19329 384.0711 45.80266 95.20697       49.28366 
1 1 1 -16 20 17 o 352.1158 20.34218 29.70328       3.355046  31.37688       3.634029  20.04162       8.731495  361.5623 21.46277 264.3378 69.35298 97.22458       72.59811 
1 1 1 -16 20 18 o 185.1629 31.96986 8.602040       2.683949  10.72089       3.245900  4.021601       4.772419  206.1689 34.70152 138.2984 52.76982 67.87045       63.15734 
1 1 1 -16 20 19 o 381.3447 17.93474 34.68264       3.217231  38.65194       4.147009  28.68235       5.098748  400.5794 22.09324 340.2859 32.23746 60.29349       39.08152 
1 1 1 -16 20 20 o 284.5715 24.02041 19.69773       3.185395  22.34542       5.449029  18.32321       3.926112  294.9165 40.33545 271.2830 31.34295 23.63345       51.08159 
1 1 1 -16 20 21 o 201.5313 29.25777 10.16184       2.692600  4.777051       4.815806  12.61074       3.247663  141.9769 53.27358 223.7976 31.73859 -81.82071      62.01139 
1 1 1 -16 20 22 o 117.1653 36.57888 3.512456       2.236220  1.345546       3.399125  5.165958       2.969266  103.4378 42.80752 139.4302 41.89310 -35.99238      59.89587 
1 1 1 -16 20 23 o 104.6394 36.20541 2.648674       2.170358  -0.8795076     3.256984  5.466707       2.910806  85.85310 38.59272 142.2781 41.15285 -56.42501      56.41768 
1 1 1 -16 20 24 o 100.8918 36.20056 2.400093       2.184401  6.340868       3.803688  0.4608417      2.668278  149.7374 47.83016 86.55136 36.98166 63.18599       60.45963 
1 1 1 -16 20 25 o 205.7796 65.83708 14.68193       7.204593  0.000000       0.000000  14.68193       7.204593  ?        ?        205.7796 65.83708 0.000000       65.83708 
1 1 1 -16 20 26 o 205.1215 56.86455 13.79310       5.677554  13.79310       5.677554  0.000000       0.000000  205.1215 56.86455 ?        ?        0.000000       56.86455 
1 1 1 -16 20 27 f 210.1964 30.42345 11.72837       2.920688  6.123663       5.325610  14.13918       3.492807  138.9148 54.96398 228.4544 33.49659 -89.53967      64.36661 
1 1 1 -16 22 1  o 236.8214 28.60671 13.54246       3.122253  19.54001       4.336490  7.086802       4.499060  284.0417 33.07473 169.4139 51.71798 114.6277       61.38964 
1 1 1 -16 22 2  o 562.8113 13.59262 74.71692       3.598613  73.40273       5.288569  75.85007       4.910814  556.8722 20.18893 566.3784 18.43221 -9.506226      27.33751 
1 1 1 -16 22 3  o 318.9713 15.39116 24.02130       2.309363  23.26945       3.093806  24.96733       3.470405  312.7121 21.15640 323.6496 22.94349 -10.93756      31.20893 
1 1 1 -16 22 4  o 260.4448 17.28633 16.10311       2.105781  15.41334       2.741170  17.09627       3.289237  253.8222 23.21526 266.7664 26.56500 -12.94421      35.27956 
1 1 1 -16 22 5  o 375.2222 14.59021 33.23733       2.575249  31.16251       2.822459  43.54935       6.292300  363.1323 16.52317 425.4805 31.66513 -62.34821      35.71688 
1 1 1 -16 22 6  o 501.6146 18.61460 59.55736       4.392312  55.83496       5.509017  66.05232       7.276981  484.6367 24.16510 524.9371 29.59029 -40.30035      38.20389 
1 1 1 -16 22 7  o 340.8386 14.76570 27.43944       2.367402  28.04462       2.606452  24.58680       5.658886  344.4407 16.08666 316.5618 38.81491 27.87894       42.01641 
1 1 1 -16 22 8  o 553.5817 15.17415 72.42199       3.951439  70.92072       4.507249  77.40785       8.213952  547.3841 17.50451 567.3065 30.89619 -19.92236      35.51032 
1 1 1 -16 22 9  o 281.1753 15.72177 18.75441       2.071117  18.75441       2.071117  0.000000       0.000000  281.1753 15.72177 ?        ?        0.000000       15.72177 
1 1 1 -16 22 10 o 90.85996 32.09530 1.754948       1.710661  1.754948       1.710661  0.000000       0.000000  90.85996 32.09530 ?        ?        0.000000       32.09530 
1 1 1 -16 22 11 o 163.2036 20.88942 6.434468       1.566906  6.484677       1.619269  5.695601       6.211751  163.7119 21.55035 162.4287 60.59096 1.283157       64.30927 
1 1 1 -16 22 12 o 72.80869 28.81094 0.7216094      1.463421  0.3840967      1.512142  5.707491       5.811907  69.50781 28.63856 159.8510 58.80085 -90.34323      65.40418 
1 1 1 -16 22 13 o 420.8698 15.22771 41.94871       3.014753  43.45029       3.297583  34.30440       7.440288  428.1072 16.37472 369.4669 43.65343 58.64029       46.62353 
1 1 1 -16 22 14 o 88.66185 32.26548 1.597700       1.743244  1.631838       1.812619  1.177170       6.361926  89.95318 32.87595 134.2299 57.22236 -44.27668      65.99414 
1 1 1 -16 22 15 o 472.4648 13.59459 52.83131       3.021376  52.68677       3.220268  53.89418       8.732510  471.6124 14.51568 464.5672 40.36069 7.045258       42.89161 
1 1 1 -16 22 16 o 247.7361 23.32513 14.84244       2.686205  14.68583       2.830662  16.26041       8.517467  245.9781 24.80224 237.8737 70.83657 8.104477       75.05312 
1 1 1 -16 22 17 o 355.5432 19.37504 30.25689       3.228218  29.58920       3.571898  33.23425       7.542688  350.7966 21.75312 359.2906 45.65953 -8.494049      50.57658 
1 1 1 -16 22 18 o 266.3522 24.48150 17.24849       3.033017  18.13402       3.566798  14.93610       5.763763  271.6981 28.32400 234.1582 53.49804 37.53993       60.53337 
1 1 1 -16 22 19 o 444.7989 21.71213 47.57732       4.542922  47.57732       4.542922  0.000000       0.000000  444.7989 21.71213 ?        ?        0.000000       21.71213 
1 1 1 -16 22 20 o 224.5431 27.97642 12.51426       2.890933  14.64705       3.732186  9.315107       4.570954  240.3903 33.94962 183.4069 51.08633 56.98343       61.33832 
1 1 1 -16 22 21 o 120.8373 39.49757 3.714865       2.584387  4.589715       3.438241  2.578602       3.918402  133.5968 45.59594 117.8578 46.98346 15.73891       65.47087 
1 1 1 -16 22 22 o 129.4010 43.72217 4.368088       3.161146  6.590370       4.997486  2.885850       4.081417  154.2877 54.81905 120.3917 47.96426 33.89599       72.84022 
1 1 1 -16 22 23 o 196.1729 29.06291 9.808149       2.600793  9.260147       3.810564  10.28605       3.558513  181.5296 44.87860 194.6076 40.20256 -13.07806      60.25226 
1 1 1 -16 22 24 o 404.0681 18.07903 39.52836       3.436363  33.85297       4.835280  45.32012       4.884596  365.5698 28.33931 427.0945 24.41415 -61.52475      37.40545 
1 1 1 -16 22 25 o 238.2095 53.45065 17.65755       5.842138  17.65755       5.842138  0.000000       0.000000  238.2095 53.45065 ?        ?        0.000000       53.45065 
1 1 1 -16 24 1  o 311.6083 22.24837 23.17101       3.239755  21.35883       4.144894  26.01665       5.194014  297.3200 30.04843 327.2231 34.25099 -29.90311      45.56356 
1 1 1 -16 24 2  o 376.0724 15.90655 33.43102       2.813952  34.00549       4.067845  32.90387       3.896726  377.5858 23.01215 371.5330 22.40108 6.052765       32.11491 
1 1 1 -16 24 3  o 428.3307 14.11245 43.32581       2.843485  47.02335       3.914705  39.19624       4.137094  445.5614 18.67764 405.7202 21.75632 39.84119       28.67388 
1 1 1 -16 24 4  o 641.7845 12.54665 97.19470       3.787794  100.6865       5.215441  93.29705       5.510205  652.3195 16.99657 627.5388 18.66629 24.78070       25.24508 
1 1 1 -16 24 5  o 316.9203 36.44808 24.58978       5.334742  0.000000       0.000000  24.58978       5.334742  ?        ?        316.9203 36.44808 0.000000       36.44808 
1 1 1 -16 24 6  o 638.8334 28.51130 97.74079       8.567893  0.000000       0.000000  97.74079       8.567893  ?        ?        638.8334 28.51130 0.000000       28.51130 
1 1 1 -16 24 7  o 203.5314 20.61553 9.937865       1.946537  9.903985       2.091258  10.15755       5.325146  202.8492 22.28336 197.6917 55.16658 5.157501       59.49706 
1 1 1 -16 24 8  o 329.7410 13.71212 25.69121       2.126899  26.60656       2.262937  18.75743       6.228228  335.4916 14.33909 270.2587 50.85730 65.23297       52.84008 
1 1 1 -16 24 9  o 272.0551 15.29488 17.56720       1.949426  17.56720       1.949426  0.000000       0.000000  272.0551 15.29488 ?        ?        0.000000       15.29488 
1 1 1 -16 24 10 o 444.1916 11.66169 46.57656       2.436694  46.24412       2.570423  49.52438       7.654181  442.5056 12.34857 449.5507 36.51062 -7.045044      38.54234 
1 1 1 -16 24 11 o 560.8320 11.74780 74.26717       3.099263  72.95950       3.287925  84.69085       9.282906  555.7145 12.57769 589.8571 33.59455 -34.14252      35.87188 
1 1 1 -16 24 12 o 418.4934 12.51249 41.38527       2.463212  40.94817       2.602116  45.15458       7.641284  416.1528 13.29243 427.3282 38.42409 -11.17538      40.65833 
1 1 1 -16 24 13 o 53.86818 25.29766 -1.660111      1.630431  -2.224822      1.698444  4.970274       5.819794  51.97274 24.81648 153.4557 58.34030 -101.4829      63.39912 
1 1 1 -16 24 14 o 479.9517 13.18035 54.49999       2.975730  56.06397       3.208682  44.88704       7.954967  486.6018 14.01792 423.6363 40.40859 62.96555       42.77098 
1 1 1 -16 24 15 o 102.0313 34.53910 2.414797       1.972747  2.882730       2.091422  -1.360880      5.940832  109.3755 35.52073 117.0987 52.41700 -7.723160      63.31876 
1 1 1 -16 24 16 o 242.1478 21.40500 14.14745       2.413065  13.21688       2.552084  21.99762       7.412438  233.3592 23.57193 283.9618 57.46482 -50.60257      62.11152 
1 1 1 -16 24 17 o 218.8217 24.04899 11.67590       2.434628  12.16966       2.600780  8.177765       6.922535  223.0625 25.22962 176.6635 64.29616 46.39908       69.06902 
1 1 1 -16 24 18 o 275.0845 31.55871 18.86610       4.009808  19.79489       4.927450  17.04519       6.899333  278.0508 38.72406 244.1381 60.40619 33.91266       71.75278 
1 1 1 -16 24 19 o 181.5725 42.91525 8.821773       3.607515  6.299049       4.543666  13.12426       5.933778  153.8539 52.41613 213.5797 57.69823 -59.72578      77.95214 
1 1 1 -16 24 20 o 197.7477 32.36403 9.989241       2.906360  10.50588       3.703908  9.161475       4.688369  198.4880 41.02551 179.6441 52.30539 18.84381       66.47515 
1 1 1 -16 24 21 o 202.8135 29.99104 10.45443       2.774972  10.76296       3.656883  10.03559       4.260778  200.2745 40.21342 188.6282 47.92313 11.64636       62.55993 
1 1 1 -16 24 22 o 79.70947 35.52110 -0.5066445     2.695703  2.036223       3.685515  -3.432221      3.953139  109.4166 44.85208 81.79582 38.71101 27.62075       59.24738 
1 1 1 -16 24 23 o 254.2024 24.77649 16.17152       2.925045  17.87106       4.180530  14.54152       4.094102  259.9191 35.08879 231.1859 39.03698 28.73325       52.48913 
1 1 1 -16 26 1  o 399.5569 16.42033 37.76741       3.086240  37.21247       4.828107  38.15083       4.013207  394.0233 26.19797 400.2195 21.39438 -6.196198      33.82386 
1 1 1 -16 26 2  o 111.2070 37.38505 2.834737       2.311083  -0.8010613     3.350763  6.133666       3.191761  90.91312 40.10363 155.8370 42.40798 -64.92385      58.36727 
1 1 1 -16 26 3  o 231.0908 20.01920 12.76543       2.154701  14.13988       2.846887  10.92223       3.296795  242.1871 25.36538 210.1709 34.54719 32.01620       42.85920 
1 1 1 -16 26 4  o 166.7638 26.05163 6.793487       1.976807  8.315574       2.540996  4.459944       3.146242  183.8000 30.45564 135.7596 43.51491 48.04037       53.11397 
1 1 1 -16 26 5  o 123.2811 44.23952 3.260656       3.262387  -1.786079      4.146045  11.46552       5.286453  96.22102 43.37062 209.9149 53.40737 -113.6938      68.79940 
1 1 1 -16 26 6  o 147.6293 29.82705 5.415831       2.000059  6.188136       2.167417  0.9863259      5.190695  157.9521 30.27262 123.8551 52.19133 34.09696       60.33545 
1 1 1 -16 26 7  o 315.4492 16.05306 23.61686       2.374214  23.39399       2.555722  25.02081       6.414530  313.7093 17.38675 315.7642 44.41251 -2.054871      47.69455 
1 1 1 -16 26 8  o 429.8778 17.03087 43.79694       3.443905  43.79694       3.443905  0.000000       0.000000  429.8778 17.03087 ?        ?        0.000000       17.03087 
1 1 1 -16 26 9  o 534.3792 12.07410 67.43577       3.035103  70.08252       3.279911  51.66469       8.006381  544.6289 12.80242 458.5038 37.44835 86.12515       39.57626 
1 1 1 -16 26 10 o 344.0190 12.76614 27.96860       2.065910  27.32340       2.155429  35.25565       7.243753  339.9352 13.47933 375.7846 41.68056 -35.84943      43.80595 
1 1 1 -16 26 11 o 51.72702 24.05040 -1.237186      1.414233  -1.599775      1.452359  5.398336       6.213040  50.08800 23.63127 158.8177 60.30305 -108.7297      64.76801 
1 1 1 -16 26 12 o 817.9861 15.02412 158.5547       5.781019  161.2001       6.508246  148.6623       12.58550  824.0179 16.79029 779.9100 34.30494 44.10785       38.19349 
1 1 1 -16 26 13 o 402.4839 13.64453 38.35490       2.583308  37.84396       2.715510  43.22235       8.381446  399.6344 14.44506 412.8911 43.82321 -13.25671      46.14254 
1 1 1 -16 26 14 o 182.8319 23.51135 8.153232       1.975227  8.950189       2.075597  0.5056481      6.429657  191.6886 23.51143 129.8934 56.46430 61.79517       61.16375 
1 1 1 -16 26 15 o 180.7040 28.59826 8.118225       2.350033  8.118225       2.350033  0.000000       0.000000  180.7040 28.59826 ?        ?        0.000000       28.59826 
1 1 1 -16 26 16 o 228.7042 22.91986 12.71894       2.432601  13.61511       2.642987  7.752676       6.221786  236.2920 24.11609 171.2019 61.13037 65.09006       65.71536 
1 1 1 -16 26 17 o 107.9302 38.24342 2.681007       2.430624  4.762365       2.664981  -7.615934      5.927544  135.1793 39.45693 92.94561 44.88218 42.23371       59.76002 
1 1 1 -16 26 18 o 105.4455 40.81139 2.146434       2.882665  2.108035       3.353716  2.255054       5.640536  109.4409 43.51727 129.0838 54.40087 -19.64288      69.66496 
1 1 1 -16 26 19 o 168.8297 35.22087 7.459046       2.706669  6.439665       3.034270  11.42985       5.988595  154.4485 41.05775 195.2351 59.68118 -40.78662      72.44019 
1 1 1 -16 26 20 o 108.5273 38.76245 2.828233       2.501801  2.354152       3.361904  3.416584       3.745216  110.0612 43.63140 121.9446 46.69516 -11.88348      63.90725 
1 1 1 -16 28 1  o 168.0673 32.92025 7.036266       2.509541  5.224674       4.032122  8.181726       3.206222  147.6846 49.38199 180.0202 38.99034 -32.33551      62.91922 
1 1 1 -16 28 2  o 277.8276 20.79379 18.44584       2.697847  21.31659       4.078402  16.21234       3.597375  296.5021 29.63810 258.0436 30.20791 38.45853       42.31944 
1 1 1 -16 28 3  o 235.9513 21.05091 13.34080       2.311944  14.19130       3.138208  12.33132       3.418970  241.7252 28.12458 223.5912 33.54126 18.13397       43.77223 
1 1 1 -16 28 4  o 89.96358 33.75040 1.495825       1.932694  1.278835       2.486420  1.827060       3.072011  94.81166 37.54272 107.1940 41.95133 -12.38231      56.29716 
1 1 1 -16 28 5  f 390.1717 16.83833 36.07537       3.090467  39.03802       3.553001  26.86683       6.263980  405.5382 18.62491 328.3248 41.48388 77.21341       45.47306 
1 1 1 -16 28 6  o 228.9366 20.20381 12.55963       2.153474  12.42250       2.313677  13.44828       5.889685  227.3074 21.90945 225.4525 55.82881 1.854965       59.97399 
1 1 1 -16 28 7  o 206.6091 21.52766 10.27958       2.061533  9.328884       2.186045  17.91915       6.196886  196.0995 24.21219 262.1888 52.08069 -66.08923      57.43369 
1 1 1 -16 28 8  o 243.7282 18.54989 14.19640       2.110784  14.19640       2.110784  0.000000       0.000000  243.7282 18.54989 ?        ?        0.000000       18.54989 
1 1 1 -16 28 9  o 292.6150 14.78537 20.33033       2.028562  20.66112       2.157101  17.80024       5.965682  294.8346 15.60889 261.1566 50.38684 33.67798       52.74914 
1 1 1 -16 28 10 o 304.1193 14.53935 21.90992       2.079977  22.91520       2.233287  15.33294       5.712348  310.9034 15.27037 240.6681 51.97803 70.23535       54.17471 
1 1 1 -16 28 11 o 188.9474 20.80980 8.627063       1.818934  9.305829       1.951779  4.143877       5.016072  196.1521 21.50545 141.4938 54.07357 54.65831       58.19309 
1 1 1 -16 28 12 o 206.1541 20.76098 10.26182       1.985906  10.99108       2.135061  5.582640       5.408185  213.2032 21.58611 154.0166 56.71168 59.18658       60.68092 
1 1 1 -16 28 13 o 353.7951 15.71442 29.74943       2.615288  30.17125       2.836517  27.35732       6.754819  355.9954 16.93838 324.7878 45.45799 31.20755       48.51121 
1 1 1 -16 28 14 o 336.4076 18.17962 27.10030       2.866188  27.10030       2.866188  0.000000       0.000000  336.4076 18.17962 ?        ?        0.000000       18.17962 
1 1 1 -16 28 15 o 427.1757 15.86036 43.46787       3.187049  49.14161       3.624856  24.14388       6.689664  453.7810 16.98146 300.0296 49.09789 153.7514       51.95164 
1 1 1 -16 28 16 o 321.1666 28.72088 25.55228       4.293286  33.85851       6.043002  17.08680       6.100655  365.2915 35.62096 246.6414 54.07311 118.6501       64.75148 
1 1 1 -16 28 17 o 271.3283 34.39289 18.80887       4.291142  19.30737       5.907637  18.25208       6.243463  264.6120 49.27394 253.3638 54.03479 11.24818       73.12783 
1 1 1 -16 30 1  o 512.5807 16.77965 62.29483       4.045895  52.28894       6.524935  68.54500       5.156968  464.6545 30.01265 536.6464 20.42852 -71.99185      36.30542 
1 1 1 -16 30 2  o 405.3557 16.49085 38.95321       3.144478  37.41745       4.538791  40.37069       4.360493  394.6745 24.56919 410.6362 22.66175 -15.96167      33.42455 
1 1 1 -16 30 3  o 398.1920 16.01994 37.57869       3.000702  41.04253       4.402671  34.57375       4.100672  413.9648 22.69565 379.7289 23.06608 34.23587       32.35949 
1 1 1 -16 30 4  o 217.3647 28.13848 11.55707       2.809598  13.59964       3.586973  8.314507       4.519427  234.3394 33.49244 178.3513 51.18933 55.98813       61.17263 
1 1 1 -16 30 5  o 317.5867 17.18814 24.01401       2.558239  25.71931       2.923273  18.43639       5.286808  328.2642 19.01253 269.3134 43.19149 58.95078       47.19090 
1 1 1 -16 30 6  o 314.5778 17.01707 23.56571       2.508789  24.24776       2.807458  20.86207       5.589585  318.6780 18.81142 286.6979 42.75347 31.98007       46.70898 
1 1 1 -16 30 7  o 256.0038 21.00759 15.75109       2.507535  15.75109       2.507535  0.000000       0.000000  256.0038 21.00759 ?        ?        0.000000       21.00759 
1 1 1 -16 30 8  o 299.7371 16.42461 21.40198       2.307004  22.31657       2.535540  17.00357       5.560385  305.7841 17.70305 254.9843 48.12197 50.79980       51.27496 
1 1 1 -16 30 9  o 243.1924 20.57664 14.23470       2.331849  15.52026       2.585469  8.629608       5.398638  253.6415 21.88377 179.4846 56.94556 74.15692       61.00571 
1 1 1 -16 30 10 o 86.59441 37.62413 -0.1627746     2.852034  3.219382       3.698419  -5.124852      4.479722  123.9927 46.65444 84.81690 40.44489 39.17583       61.74485 
1 1 1 -16 30 11 o 180.5662 51.81466 8.849585       4.630938  0.000000       0.000000  8.849585       4.630938  ?        ?        180.5662 51.81466 0.000000       51.81466 
1 1 1 -16 30 12 o 335.4657 24.89959 27.38885       3.901218  36.80143       5.816255  19.69085       5.259912  384.8376 32.43121 275.6859 41.87690 109.1516       52.96657 
1 1 1 -16 30 13 o 97.19227 40.65382 0.8718043      3.112663  4.565993       4.536653  -2.414091      4.278611  139.1597 51.80642 92.26726 42.52453 46.89247       67.02418 
1 1 1 -16 32 5  f 284.0076 33.09015 20.01784       4.337891  20.01784       4.337891  0.000000       0.000000  284.0076 33.09015 ?        ?        0.000000       33.09015 
1 1 1 -15 1  1  o 877.1614 18.18023 181.5885       7.501503  0.000000       0.000000  181.5885       7.501503  ?        ?        877.1614 18.18023 0.000000       18.18023 
1 1 1 -15 1  2  o 400.6545 13.91891 37.83341       2.623280  38.61953       3.920915  37.19636       3.529618  403.7672 20.71340 396.9216 18.90399 6.845581       28.04293 
1 1 1 -15 1  3  o 810.4000 19.08317 155.0885       7.274769  155.0885       7.274769  0.000000       0.000000  810.4000 19.08317 ?        ?        0.000000       19.08317 
1 1 1 -15 1  4  o 471.7566 12.05148 52.43120       2.674409  50.26373       3.820255  54.51438       3.745232  461.4733 17.59853 480.6860 16.56334 -19.21277      24.16718 
1 1 1 -15 1  5  o 690.3120 10.91119 112.2325       3.543127  115.8686       5.192080  109.0635       4.847159  700.8914 15.74785 680.0689 15.15183 20.82251       21.85344 
1 1 1 -15 1  6  o 1356.118 14.25316 433.4919       9.092383  418.8835       12.22753  451.5601       13.59862  1331.803 19.51773 1382.357 20.91248 -50.55383      28.60548 
1 1 1 -15 1  7  f 549.0482 13.75853 71.03353       3.553462  82.81808       5.371195  61.86089       4.738728  592.3184 19.27731 511.8792 19.67999 80.43921       27.54844 
1 1 1 -15 1  8  o 428.8398 9.097774 43.28436       1.835268  40.92928       2.480120  46.13488       2.728551  416.8753 12.64729 442.5703 13.10631 -25.69507      18.21344 
1 1 1 -15 1  9  o 394.5742 9.269302 36.64000       1.720462  36.81882       2.383206  36.44537       2.486267  395.4288 12.81221 393.3960 13.43533 2.032806       18.56504 
1 1 1 -15 1  10 o 1252.936 13.31857 369.6304       7.849751  366.5588       10.99747  372.8206       11.20797  1247.057 18.74724 1257.634 18.94538 -10.57764      26.65307 
1 1 1 -15 1  11 o 714.5231 10.22957 120.1515       3.438295  116.8622       4.763078  123.7305       4.968384  704.4713 14.37325 724.8658 14.57096 -20.39453      20.46713 
1 1 1 -15 1  12 o 1014.129 14.12434 242.1649       6.737993  245.8086       12.08557  240.5215       8.116490  1020.488 25.17619 1010.421 17.07642 10.06720       30.42112 
1 1 1 -15 1  13 o 694.8193 13.14629 113.6633       4.296792  112.3859       5.084495  116.8549       8.036737  690.7589 15.64775 703.6536 24.28016 -12.89471      28.88561 
1 1 1 -15 1  14 o 621.7368 11.54446 90.99580       3.376366  89.80079       4.765239  92.20055       4.784626  617.3735 16.40844 625.5779 16.25913 -8.204407      23.09970 
1 1 1 -15 1  15 o 1546.388 16.52756 563.5297       12.02255  566.4881       17.09326  560.6332       16.91308  1548.924 23.45987 1540.931 23.33299 7.992920       33.08767 
1 1 1 -15 1  16 o 1176.011 16.11605 325.9587       8.915366  318.8860       10.92326  340.0714       15.42997  1162.537 19.97452 1198.865 27.36061 -36.32764      33.87601 
1 1 1 -15 1  17 o 653.1548 14.40343 100.5298       4.425387  97.50298       7.191493  102.3745       5.614243  642.1945 23.80582 658.7572 18.11743 -16.56268      29.91585 
1 1 1 -15 1  18 o 962.9335 13.82982 218.5334       6.264436  229.5927       9.248812  209.1592       8.515101  985.9148 19.94239 941.1589 19.23347 44.75586       27.70605 
1 1 1 -15 1  19 o 378.9731 16.85297 33.90208       3.004375  33.91019       4.384405  33.89491       4.125098  377.4249 24.83379 377.6024 23.33804 -0.1775513     34.07904 
1 1 1 -15 1  20 o 503.4167 18.10994 59.91330       4.288584  59.45304       8.307621  60.08052       5.007370  496.5876 35.80426 503.6522 21.13536 -7.064575      41.57701 
1 1 1 -15 1  21 o 267.3211 23.01840 17.10562       2.866301  22.66904       4.120334  11.88876       3.989935  306.6307 28.90703 218.1559 40.36705 88.47478       49.64993 
1 1 1 -15 1  22 o 234.2762 31.37020 13.44091       3.370323  11.58988       3.875465  19.18550       6.827252  214.7041 39.83879 271.3261 55.36614 -56.62196      68.20952 
1 1 1 -15 1  23 o 320.3688 26.33593 24.81489       3.933745  27.97265       5.876038  22.25030       5.295460  335.6217 37.88190 298.6155 38.60196 37.00626       54.08466 
1 1 1 -15 1  24 o 535.2933 17.98403 68.22959       4.528435  73.15696       7.400505  65.28032       5.725469  548.3840 28.78913 521.4152 23.34307 26.96875       37.06363 
1 1 1 -15 1  25 o 425.0584 18.40432 43.16980       3.679914  41.76080       5.219206  44.56271       5.189291  413.5844 26.97462 427.8875 25.90363 -14.30316      37.39824 
1 1 1 -15 1  26 o 224.1048 29.10370 12.55374       2.995665  13.72206       4.319434  11.47102       4.158186  227.8164 41.84841 206.6107 44.12534 21.20567       60.81393 
1 1 1 -15 1  27 f 290.8229 29.53751 21.23344       3.984765  22.93458       4.702224  16.89953       7.505379  299.3883 33.99118 231.2040 65.83871 68.18428       74.09546 
1 1 1 -15 1  28 o 145.9111 45.63509 5.941314       3.478825  7.051130       6.811835  5.549720       4.046288  158.2227 62.30199 141.9595 49.41718 16.26321       79.52104 
1 1 1 -15 1  29 o 257.1151 29.82880 16.91307       3.540689  17.49631       4.691777  16.14150       5.396424  253.2609 40.76551 234.7270 50.38072 18.53389       64.80775 
1 1 1 -15 1  30 o 174.9994 40.03647 8.590414       3.224367  5.347801       5.262807  10.53901       4.079729  138.4567 54.68451 189.4625 46.19325 -51.00583      71.58361 
1 1 1 -15 1  31 f 223.3036 32.31620 13.31429       3.295872  10.70093       4.776164  15.69009       4.553908  181.4242 52.78402 232.5285 43.22411 -51.10437      68.22372 
1 1 1 -15 1  32 o 68.08815 33.07866 -4.226847      3.343612  1.713139       6.336170  -6.519346      3.936304  115.6915 52.72633 68.43128 33.77892 47.26021       62.61854 
1 1 1 -15 1  33 o 89.45943 42.16128 -1.446591      4.600328  -3.552319      6.217805  1.100178       6.838026  94.12645 45.58096 110.7600 51.94877 -16.63352      69.11077 
1 1 1 -15 1  34 o 101.9868 45.18419 2.461653       4.298918  0.2949168      6.028955  4.702735       6.131519  99.95643 47.45107 116.3178 52.55676 -16.36141      70.80830 
1 1 1 -15 1  35 o 104.5602 48.29520 3.611772       5.563406  3.611772       5.563406  0.000000       0.000000  104.5602 48.29520 ?        ?        0.000000       48.29520 
1 1 1 -15 3  1  o 831.3387 12.04823 162.8068       4.711624  173.6326       9.899189  159.6361       5.357366  856.4282 24.57194 822.9989 13.83830 33.42926       28.20068 
1 1 1 -15 3  2  o 342.1709 16.14344 27.61600       2.598414  24.77848       3.160759  33.53151       4.563715  323.1405 20.90566 375.3133 26.01011 -52.17276      33.37023 
1 1 1 -15 3  3  o 406.4859 12.75495 38.93256       2.438898  42.69751       3.334541  34.60167       3.576390  425.4164 16.66298 382.1977 19.96169 43.21875       26.00238 
1 1 1 -15 3  4  o 842.7116 17.88801 167.6231       7.091048  167.6231       7.091048  0.000000       0.000000  842.7116 17.88801 ?        ?        0.000000       17.88801 
1 1 1 -15 3  5  o 1230.757 13.84960 356.9977       8.018236  347.2114       10.71978  369.4268       12.08084  1212.738 18.79098 1250.480 20.53766 -37.74243      27.83696 
1 1 1 -15 3  6  o 243.8641 15.57166 14.07757       1.776968  14.00698       1.891589  14.60761       5.183529  243.1376 16.63887 242.6428 47.11248 0.4947357      49.96436 
1 1 1 -15 3  7  o 1423.109 17.08251 477.5561       11.43561  436.0880       17.48338  508.5626       15.11803  1357.205 27.38487 1467.378 21.90201 -110.1727      35.06607 
1 1 1 -15 3  8  o 675.1164 11.28897 107.3009       3.585109  96.43282       5.478101  115.4429       4.741513  639.5342 18.20945 700.0564 14.39841 -60.52216      23.21419 
1 1 1 -15 3  9  o 259.2695 11.16266 15.82282       1.361408  14.84376       1.749847  17.32433       2.167002  250.6005 14.91127 270.6111 17.11144 -20.01057      22.69686 
1 1 1 -15 3  10 o 741.2722 10.19652 129.3161       3.555488  128.9414       4.939502  129.7191       5.121896  739.9915 14.19016 742.1903 14.67054 -2.198853      20.41042 
1 1 1 -15 3  11 o 819.1833 10.79511 157.9356       4.159849  156.6803       5.803097  159.2625       5.966121  815.6695 15.12434 822.3429 15.42303 -6.673401      21.60128 
1 1 1 -15 3  12 o 997.5827 14.01295 234.3208       6.575788  250.2676       12.18161  227.7631       7.811719  1029.724 25.14865 983.2819 16.88882 46.44165       30.29334 
1 1 1 -15 3  13 o 832.6865 13.73020 163.2620       5.378086  163.8465       6.402329  161.8609       9.912516  833.9844 16.31964 827.9861 25.45022 5.998291       30.23317 
1 1 1 -15 3  14 o 583.9578 11.41717 80.27304       3.136241  78.98753       4.451181  81.54037       4.419617  579.0065 16.34265 588.3116 15.97011 -9.305054      22.85009 
1 1 1 -15 3  15 o 362.2385 13.93561 30.90563       2.374598  29.97437       3.493485  31.70541       3.237484  355.8116 20.96490 366.2001 18.85805 -10.38858      28.19846 
1 1 1 -15 3  16 o 345.1928 23.34301 28.27791       3.768148  26.88764       4.532064  31.39120       6.781979  335.7355 28.98057 360.7053 40.68055 -24.96982      49.94777 
1 1 1 -15 3  17 o 640.4935 14.75508 96.68375       4.445550  107.3127       7.963484  91.87183       5.358161  673.4797 25.13676 624.0147 18.25373 49.46503       31.06534 
1 1 1 -15 3  18 o 663.2881 13.47903 103.6833       4.205622  110.9239       6.363296  98.06751       5.604078  685.2769 19.73998 644.5106 18.48438 40.76630       27.04328 
1 1 1 -15 3  19 o 762.3578 20.26087 137.4355       7.265847  137.4355       7.265847  0.000000       0.000000  762.3578 20.26087 ?        ?        0.000000       20.26087 
1 1 1 -15 3  20 o 465.4956 15.44456 51.16303       3.381898  53.49668       5.035237  49.24511       4.564754  474.9556 22.53708 455.8939 21.28552 19.06168       30.99989 
1 1 1 -15 3  21 o 119.4657 43.26033 2.964208       3.128120  5.308733       3.594914  -4.346017      6.347847  147.3435 46.43917 111.8436 51.63421 35.49992       69.44558 
1 1 1 -15 3  22 o 712.9442 14.91068 120.2359       5.000602  114.7497       6.999052  125.9566       7.147112  694.3834 21.42745 727.7173 20.87846 -33.33392      29.91732 
1 1 1 -15 3  23 o 345.8236 20.06966 28.58238       3.250814  33.68628       4.811654  24.29630       4.409338  372.9829 27.62069 315.5742 30.06674 57.40869       40.82783 
1 1 1 -15 3  24 o 289.0393 22.69151 20.16203       3.060448  21.97764       4.776340  18.89740       3.986266  296.9473 34.85670 276.6794 31.17119 20.26788       46.76144 
1 1 1 -15 3  25 o 645.7376 15.80353 99.24805       4.800423  105.8793       7.278302  94.14233       6.386442  662.3330 23.36062 625.6389 21.70031 36.69409       31.88451 
1 1 1 -15 3  26 o 181.9293 38.79140 8.720721       3.218377  7.925090       6.741627  8.955566       3.662690  169.8467 63.16881 182.2746 43.34999 -12.42796      76.61279 
1 1 1 -15 3  27 o 89.89645 38.22303 0.5495171      2.825177  5.116253       4.288209  -2.952891      3.755402  140.0213 50.65891 82.00782 38.47445 58.01344       63.61296 
1 1 1 -15 3  28 o 64.68414 31.15105 -3.698433      2.808467  0.9409514      4.185333  -7.498522      3.787885  106.5131 45.92736 66.55891 32.90660 39.95421       56.49926 
1 1 1 -15 3  29 o 87.43516 38.09214 0.1978988      2.939573  0.8165396E-01  4.054643  0.3266944      4.267920  99.12002 43.89947 102.5602 45.24998 -3.440132      63.04541 
1 1 1 -15 3  30 o 107.2450 41.16991 2.684758       2.915923  2.935545       4.282061  2.467912       3.981771  117.5752 48.28850 112.3899 46.40705 5.185341       66.97308 
1 1 1 -15 3  31 o 115.0863 42.63342 3.561585       3.064859  2.307126       4.345614  4.803139       4.323204  111.4346 47.39369 129.2307 49.98959 -17.79601      68.88484 
1 1 1 -15 3  32 o 192.1222 43.77085 11.25650       3.867497  10.85315       7.203865  11.41982       4.584142  160.8747 63.83928 184.9939 51.02326 -24.11925      81.72408 
1 1 1 -15 3  33 o 115.4825 46.27444 4.078797       3.821399  13.08859       7.269603  0.6385016      4.492119  164.0678 64.43850 97.29222 44.36206 66.77559       78.23243 
1 1 1 -15 3  34 o 138.9246 58.47385 9.705709       6.503416  9.705709       6.503416  0.000000       0.000000  138.9246 58.47385 ?        ?        0.000000       58.47385 
1 1 1 -15 3  35 o 102.8853 47.67888 3.317479       5.488675  3.317479       5.488675  0.000000       0.000000  102.8853 47.67888 ?        ?        0.000000       47.67888 
1 1 1 -15 5  1  o 554.8651 12.49203 72.52600       3.260543  64.01676       4.827394  79.66447       4.421502  520.6936 19.70885 581.2238 16.17175 -60.53021      25.49440 
1 1 1 -15 5  2  o 195.3141 22.61632 9.137074       2.039455  3.432439       3.118415  13.40071       2.695941  125.5502 43.40090 236.7327 24.56705 -111.1825      49.87162 
1 1 1 -15 5  3  o 903.4046 12.57223 192.2540       5.342737  181.5468       6.245689  221.4626       10.31572  877.5840 15.12943 967.9259 22.65625 -90.34192      27.24344 
1 1 1 -15 5  4  f 950.4282 13.56686 212.8292       6.065520  213.9232       7.848735  211.2069       9.557313  952.3171 17.52059 945.5640 21.48699 6.753113       27.72475 
1 1 1 -15 5  5  f 490.7049 10.94511 56.69380       2.526444  55.47146       3.464500  58.08212       3.692226  485.1513 15.18078 496.3939 15.81221 -11.24265      21.91990 
1 1 1 -15 5  6  o 705.3249 12.95387 117.1612       4.297917  112.4823       4.622644  146.9976       11.67328  691.0053 14.22132 787.5283 31.51066 -96.52295      34.57120 
1 1 1 -15 5  7  o 231.8226 15.06544 12.71279       1.633970  11.81332       2.260204  13.69754       2.364917  222.6928 21.85777 240.0375 21.16088 -17.34465      30.42277 
1 1 1 -15 5  8  o 1255.096 15.73046 371.0516       9.287261  349.5839       14.51486  385.9330       12.08486  1216.813 25.35827 1279.423 20.07974 -62.60974      32.34560 
1 1 1 -15 5  9  o 516.9687 10.91888 62.90031       2.655288  66.07636       3.163077  55.32106       4.886294  529.7986 12.69199 484.3690 21.44539 45.42969       24.91970 
1 1 1 -15 5  10 o 628.3940 11.84992 92.94531       3.502812  96.22474       5.743262  91.00291       4.420069  639.0029 19.10674 621.6479 15.11525 17.35492       24.36264 
1 1 1 -15 5  11 o 302.1926 13.70504 21.50023       1.948199  21.82521       3.373762  21.33765       2.386266  303.2305 23.84459 300.4916 16.95094 2.738861       29.25575 
1 1 1 -15 5  12 o 531.6659 10.44069 66.52454       2.611184  64.99535       3.648743  68.12984       3.738434  525.3595 14.76445 537.8779 14.77531 -12.51843      20.88777 
1 1 1 -15 5  13 o 1059.419 12.75503 264.2443       6.356505  275.9641       9.258107  253.7926       8.742911  1082.104 18.18796 1037.756 17.90983 44.34729       25.52575 
1 1 1 -15 5  14 o 952.6433 14.83900 213.7686       6.649733  220.8203       8.002586  198.0381       11.95242  967.9395 17.57571 915.2285 27.76241 52.71106       32.85814 
1 1 1 -15 5  15 o 355.3389 14.54487 29.74520       2.431208  31.28262       3.395182  28.12723       3.482993  363.6118 19.92566 344.5392 21.59963 19.07257       29.38666 
1 1 1 -15 5  16 o 622.2935 12.44577 91.20211       3.643229  97.85413       5.532225  86.10801       4.841245  644.0974 18.25908 604.3159 17.03036 39.78149       24.96852 
1 1 1 -15 5  17 o 634.8570 12.95970 94.95358       3.870259  98.27477       5.768792  92.23513       5.219138  645.2495 19.00588 625.2504 17.74498 19.99915       26.00207 
1 1 1 -15 5  18 o 600.6061 15.06536 85.06767       4.256361  87.21761       7.771438  84.14640       5.087205  606.3372 27.24695 596.9945 18.11506 9.342651       32.71928 
1 1 1 -15 5  19 o 1352.247 18.77531 432.2265       11.94298  441.7361       22.08245  428.2950       14.19876  1359.026 34.54221 1344.652 22.44768 14.37476       41.19542 
1 1 1 -15 5  20 o 148.2937 32.85498 5.470340       2.231563  5.742013       3.545511  5.292111       2.871738  152.4253 45.77364 145.6961 40.46050 6.729279       61.09238 
1 1 1 -15 5  21 o 785.3567 14.11715 145.7073       5.215350  146.2734       7.587830  145.2004       7.180271  784.9583 20.54952 782.4310 19.50857 2.527283       28.33491 
1 1 1 -15 5  22 o 120.0165 42.01604 3.231123       2.927014  5.699484       4.064046  0.5707492      4.219156  151.9459 49.52370 110.4522 46.82612 41.49366       68.15631 
1 1 1 -15 5  23 o 231.6796 25.59861 13.04913       2.743201  9.324693       3.951132  16.51511       3.811574  189.2462 45.03560 258.7997 31.99027 -69.55350      55.24113 
1 1 1 -15 5  24 o 129.5901 39.67411 4.255165       2.645313  4.168633       4.050025  4.319547       3.493452  134.9281 49.16813 133.4513 45.94777 1.476715       67.29563 
1 1 1 -15 5  25 o 196.9590 35.23392 9.927592       3.144580  10.62723       5.857486  9.644308       3.727223  193.3570 59.00795 190.8303 42.59980 2.526703       72.77831 
1 1 1 -15 5  26 o 96.32943 38.50795 1.481709       2.639414  -0.6576673     4.061843  3.045273       3.472460  97.74458 43.57706 118.5036 45.06149 -20.75905      62.68571 
1 1 1 -15 5  27 o 97.69413 38.81464 1.664670       2.666044  6.347076       4.102321  -1.758920      3.507809  151.0728 49.78157 84.26266 38.71228 66.81013       63.06223 
1 1 1 -15 5  28 o 102.3310 45.02668 0.2306118      4.198645  0.2306118      4.198645  0.000000       0.000000  102.3310 45.02668 ?        ?        0.000000       45.02668 
1 1 1 -15 5  29 f 242.1786 27.79778 14.88435       3.109380  11.62349       4.510525  17.83724       4.292246  199.2516 48.56541 259.1830 36.19284 -59.93135      60.56831 
1 1 1 -15 5  30 o 120.8409 42.06806 3.983021       2.932303  3.636635       4.239285  4.300776       4.060308  122.2107 48.82083 126.8415 48.60798 -4.630753      68.89274 
1 1 1 -15 5  31 o 320.5114 33.02638 27.49643       4.908045  0.000000       0.000000  27.49643       4.908045  ?        ?        320.5114 33.02638 0.000000       33.02638 
1 1 1 -15 5  32 o 148.0923 45.26431 6.972234       3.444911  7.571344       5.645037  6.616722       4.348509  144.1079 56.72475 140.0385 50.96034 4.069427       76.25387 
1 1 1 -15 5  33 o 125.1888 46.02387 5.240868       3.559824  6.608205       6.533840  4.663649       4.245227  130.5929 56.84438 119.6237 48.47632 10.96922       74.70767 
1 1 1 -15 5  34 o 196.4725 63.01264 18.65636       6.596631  18.65636       6.596631  0.000000       0.000000  196.4725 63.01264 ?        ?        0.000000       63.01264 
1 1 1 -15 7  1  o 1253.881 14.49430 370.3607       8.549148  352.1079       12.17713  388.1021       12.00534  1221.517 21.19221 1282.684 19.89692 -61.16699      29.06883 
1 1 1 -15 7  2  o 840.3607 14.25235 166.3453       5.634060  157.4827       7.373935  178.7753       8.732862  817.1799 19.18281 870.3990 21.32892 -53.21912      28.68629 
1 1 1 -15 7  3  o 757.1957 17.84400 135.1488       6.355793  104.4887       11.43059  148.8704       7.646897  662.4219 36.82840 794.4303 20.46257 -132.0084      42.13132 
1 1 1 -15 7  4  o 342.1693 12.40743 27.56482       1.997065  25.02543       2.632953  31.00476       3.064458  325.4203 17.26176 362.6940 17.96156 -37.27362      24.91156 
1 1 1 -15 7  5  o 462.3526 13.18794 50.33137       2.868266  50.33137       2.868266  0.000000       0.000000  462.3526 13.18794 ?        ?        0.000000       13.18794 
1 1 1 -15 7  6  o 1488.795 21.39156 522.6583       14.98120  522.6583       14.98120  0.000000       0.000000  1488.795 21.39156 ?        ?        0.000000       21.39156 
1 1 1 -15 7  7  o 815.7851 11.26539 156.6323       4.323061  155.6533       5.597579  158.0793       6.805322  813.0445 14.63581 819.1456 17.66112 -6.101074      22.93735 
1 1 1 -15 7  8  o 1075.459 14.79124 272.3385       7.482865  310.6421       13.55824  255.5608       8.973263  1147.405 25.11987 1041.498 18.31567 105.9072       31.08813 
1 1 1 -15 7  9  o 705.1144 10.54443 117.0041       3.497454  121.0785       4.610500  111.4814       5.367695  717.1505 13.66685 687.9894 16.58581 29.16113       21.49121 
1 1 1 -15 7  10 f 1070.701 12.46490 269.8494       6.278072  267.9099       8.524603  272.1480       9.280561  1066.483 16.99226 1074.752 18.35678 -8.269653      25.01416 
1 1 1 -15 7  11 o 512.0112 12.43985 61.71092       2.996152  65.45779       4.792616  59.30706       3.838775  527.0139 19.33220 501.7909 16.26300 25.22293       25.26300 
1 1 1 -15 7  12 o 945.4282 12.00067 210.4088       5.337076  213.3075       7.496885  207.4300       7.599695  951.5370 16.74888 938.2923 17.21824 13.24469       24.02067 
1 1 1 -15 7  13 o 823.0287 11.63019 159.4587       4.502679  161.6074       6.402534  157.3560       6.333528  828.1956 16.43424 817.2256 16.47534 10.97003       23.27061 
1 1 1 -15 7  14 o 781.2244 14.36789 143.7582       5.280049  144.0206       6.109962  142.9846       10.49296  781.7421 16.61521 777.4056 28.69335 4.336426       33.15680 
1 1 1 -15 7  15 o 733.6914 12.05172 126.7578       4.159412  129.0378       5.947275  124.5747       5.819403  739.8235 17.08916 726.9235 17.01847 12.90002       24.11778 
1 1 1 -15 7  16 o 288.8738 16.00419 19.73343       2.166265  17.40161       3.447452  21.25486       2.784699  269.6853 27.56248 299.4163 19.88431 -29.73099      33.98641 
1 1 1 -15 7  17 o 478.8434 13.21182 54.03075       2.975948  55.19933       4.721797  53.26067       3.833078  483.3283 20.76805 475.1140 17.15065 8.214355       26.93431 
1 1 1 -15 7  18 o 645.9426 17.39151 98.51782       5.284458  0.000000       0.000000  98.51782       5.284458  ?        ?        645.9426 17.39151 0.000000       17.39151 
1 1 1 -15 7  19 o 428.5582 14.47965 43.34082       2.919020  47.46677       4.627826  40.61474       3.761708  447.5291 21.98297 414.3298 19.30054 33.19931       29.25341 
1 1 1 -15 7  20 o 214.4401 23.27415 11.05515       2.310045  5.485827       3.598251  14.95992       3.012925  149.4256 46.35913 249.2300 26.08562 -99.80446      53.19426 
1 1 1 -15 7  21 o 624.2271 14.27781 92.10485       4.192504  100.2994       6.555105  86.43239       5.453835  649.3812 21.45905 603.4883 19.21161 45.89288       28.80238 
1 1 1 -15 7  22 o 578.7095 19.04248 79.62438       5.183860  79.02781       6.035589  81.30202       10.12130  575.3923 22.29905 574.8070 37.64003 0.5852661      43.74951 
1 1 1 -15 7  23 o 264.9503 22.25717 16.92052       2.748281  18.62653       4.454031  15.87166       3.492373  273.2498 35.48962 254.1331 29.77847 19.11670       46.32785 
1 1 1 -15 7  24 o 451.9007 17.10161 48.65214       3.635377  46.73908       5.514337  50.12277       4.834819  438.0902 26.88841 456.5502 22.51243 -18.45999      35.06845 
1 1 1 -15 7  25 o 348.3173 22.65795 29.42525       3.692292  18.57907       7.245625  33.22976       4.291278  252.6727 61.53318 369.1215 24.85904 -116.4488      66.36493 
1 1 1 -15 7  26 o 205.0050 29.66240 10.60072       2.777340  8.584688       4.197592  12.17055       3.704049  175.2064 49.00991 215.6654 37.89416 -40.45900      61.95110 
1 1 1 -15 7  27 o 135.3978 40.17969 4.931119       2.743920  7.756981       4.263170  2.932514       3.585259  164.7678 50.35269 116.9649 45.44589 47.80290       67.82862 
1 1 1 -15 7  28 o 128.6993 40.27461 4.469697       2.709125  6.722215       4.197257  2.861149       3.546897  152.9218 50.35254 115.0748 45.06585 37.84706       67.57447 
1 1 1 -15 7  29 o 211.9454 41.72252 12.48492       4.011631  10.94336       4.604731  17.33948       8.171459  191.1625 50.46550 218.4845 70.13831 -27.32205      86.40688 
1 1 1 -15 7  30 o 105.7513 41.30853 2.538514       2.974298  1.766259       4.499120  3.138018       3.964085  110.6547 47.66577 116.6526 46.99353 -5.997932      66.93592 
1 1 1 -15 7  31 o 269.0068 30.74034 19.17492       3.820076  18.20452       6.659406  19.65085       4.663691  225.3569 61.22696 264.2378 38.66420 -38.88084      72.41313 
1 1 1 -15 7  32 f 188.2636 43.30924 10.91320       3.755614  -1.805589      6.083128  18.74706       4.774105  100.2930 47.62634 250.1835 42.05842 -149.8905      63.53880 
1 1 1 -15 7  33 o 230.3744 45.49125 17.28118       4.754889  16.32878       6.513173  18.36802       6.957669  190.7013 62.72089 199.6066 64.78598 -8.905380      90.17280 
1 1 1 -15 7  34 o 111.5585 46.02301 4.387417       3.911347  1.841855       5.327778  7.363259       5.760488  100.6832 46.76851 126.2670 54.15434 -25.58378      71.55408 
1 1 1 -15 9  1  o 384.9184 13.25426 34.87763       2.399901  33.81747       4.295968  35.35857       2.893503  377.8685 24.29740 387.4915 15.87423 -9.623016      29.02334 
1 1 1 -15 9  2  o 213.7079 15.34680 10.80946       1.532520  8.501097       2.919230  11.68767       1.800596  186.6555 34.51888 222.0790 17.37461 -35.42346      38.64492 
1 1 1 -15 9  3  o 553.3549 12.26341 72.07081       3.192157  69.85378       4.379442  74.58383       4.662639  544.5923 17.09535 562.7043 17.61498 -18.11194      24.54666 
1 1 1 -15 9  4  o 1179.076 13.77260 327.2744       7.638835  313.1939       8.714987  373.9596       15.86893  1153.247 16.06479 1258.801 26.79916 -105.5540      31.24536 
1 1 1 -15 9  5  o 1507.131 23.05403 535.5687       16.34433  535.5687       16.34433  0.000000       0.000000  1507.131 23.05403 ?        ?        0.000000       23.05403 
1 1 1 -15 9  6  o 1208.796 13.41521 343.9600       7.628161  334.9238       8.635909  376.0405       16.27187  1192.654 15.39303 1262.240 27.40477 -69.58533      31.43194 
1 1 1 -15 9  7  o 315.3213 12.07201 23.40140       1.790614  22.29009       2.136251  26.02666       3.283381  307.6912 14.75937 331.6343 21.15744 -23.94318      25.79683 
1 1 1 -15 9  8  o 1073.672 15.45304 271.4425       7.804676  265.0119       11.77352  276.4836       10.42420  1060.072 23.61030 1083.131 20.45938 -23.05945      31.24152 
1 1 1 -15 9  9  o 1630.176 32.83553 628.4186       25.17954  628.4186       25.17954  0.000000       0.000000  1630.176 32.83553 ?        ?        0.000000       32.83553 
1 1 1 -15 9  10 o 1396.078 21.22005 459.5230       13.93559  469.9763       19.12152  447.6814       20.35177  1410.433 28.82045 1375.991 31.44251 34.44153       42.65266 
1 1 1 -15 9  11 o 891.7187 11.98634 187.1790       5.027866  199.2892       7.061080  174.7239       7.160924  919.7857 16.31981 861.1185 17.67815 58.66724       24.05937 
1 1 1 -15 9  12 o 1339.620 14.69092 422.6653       9.257634  430.9670       13.05565  414.2698       13.12921  1351.831 20.53083 1325.293 21.05995 26.53821       29.41150 
1 1 1 -15 9  13 o 1500.224 15.92173 530.3019       11.23610  532.6084       15.77505  527.9269       16.00801  1502.195 22.32416 1495.477 22.75560 6.718262       31.87767 
1 1 1 -15 9  14 o 404.6364 13.42252 38.56410       2.554867  39.33539       3.568170  37.75268       3.659827  408.3988 18.57341 400.0461 19.44828 8.352692       26.89251 
1 1 1 -15 9  15 o 173.4491 32.64521 7.371868       2.565807  9.177032       2.873435  0.2695601      5.699581  194.0344 32.64009 127.7747 54.30859 66.25967       63.36243 
1 1 1 -15 9  16 o 497.4539 12.50070 58.29694       2.925206  60.44711       4.516033  56.74270       3.839543  506.0133 18.97256 490.4727 16.64161 15.54062       25.23690 
1 1 1 -15 9  17 o 283.9602 16.62240 19.09392       2.210663  17.67879       3.648686  19.91469       2.778764  271.2603 29.04591 289.5171 20.53692 -18.25681      35.57288 
1 1 1 -15 9  18 o 575.8522 13.11593 78.19440       3.552870  79.40374       5.592433  77.37598       4.600580  579.2139 20.52544 572.3195 17.08853 6.894409       26.70790 
1 1 1 -15 9  19 o 811.3367 15.05344 155.4708       5.745214  160.6421       10.56592  153.3000       6.845672  820.8016 27.36528 804.9134 18.07997 15.88824       32.79853 
1 1 1 -15 9  20 o 273.2356 18.49623 17.77439       2.363328  16.72798       3.901117  18.38109       2.970458  261.7644 32.37178 276.9823 23.00650 -15.21783      39.71437 
1 1 1 -15 9  21 o 290.9597 20.57679 20.24035       2.798142  16.10536       4.219209  23.48692       3.738583  254.8659 36.21078 312.1852 25.68596 -57.31926      44.39582 
1 1 1 -15 9  22 o 495.4595 15.23702 58.18367       3.551221  53.61119       5.293968  61.92447       4.788375  472.3837 23.90190 509.7371 19.96975 -37.35339      31.14629 
1 1 1 -15 9  23 o 326.9652 26.56056 26.01025       4.049841  25.54640       4.706417  27.33353       7.949262  321.8786 31.48666 319.1391 54.93298 2.739441       63.31700 
1 1 1 -15 9  24 o 211.0583 29.50033 11.09559       2.848809  3.653389       6.663646  12.76000       3.151309  145.8592 60.11044 226.2188 30.38166 -80.35959      67.35213 
1 1 1 -15 9  25 o 488.3035 16.46487 56.93975       3.781966  59.10098       6.046070  55.55053       4.847404  491.1840 26.26248 479.7791 21.47824 11.40491       33.92687 
1 1 1 -15 9  26 o 110.4034 40.33805 2.804099       2.728559  3.403686       5.995456  2.647471       3.064288  136.5297 56.70588 111.2348 42.32246 25.29485       70.75837 
1 1 1 -15 9  27 o 355.0572 21.93602 30.78388       3.645801  26.64631       5.011847  35.43401       5.313225  322.4472 33.53277 374.8604 30.39305 -52.41324      45.25687 
1 1 1 -15 9  28 o 260.9411 26.36336 17.06138       3.191650  8.511981       4.847114  23.60559       4.240764  168.2921 54.01841 304.6953 29.97554 -136.4032      61.77800 
1 1 1 -15 9  29 o 367.6795 22.00241 33.34390       3.787998  33.46320       5.426374  33.23051       5.290295  358.7616 32.50698 358.3160 31.71420 0.4456482      45.41469 
1 1 1 -15 9  30 o 121.5438 44.13854 4.069714       3.259774  1.937575       6.484686  4.790680       3.770845  122.3687 54.77076 129.3865 47.39836 -7.017792      72.43232 
1 1 1 -15 9  31 o 103.1192 41.60088 2.403987       3.111310  -0.5392390     5.187881  4.057197       3.888141  101.0473 46.66006 120.3105 47.16531 -19.26324      66.34552 
1 1 1 -15 9  32 o 117.9789 47.29617 4.181995       3.993992  0.000000       0.000000  4.181995       3.993992  ?        ?        117.9789 47.29617 0.000000       47.29617 
1 1 1 -15 9  33 o 158.6670 50.84074 9.520344       4.295036  11.87574       5.969141  6.991677       6.184794  160.3811 59.48092 129.1832 55.76601 31.19789       81.53421 
1 1 1 -15 11 1  o 1247.678 14.26229 366.4435       8.370687  388.1362       13.17877  351.7737       10.83757  1283.358 21.83019 1222.068 18.85242 61.29041       28.84391 
1 1 1 -15 11 2  o 475.0025 11.50166 53.09700       2.569956  49.95045       4.324438  54.81507       3.195457  460.4584 19.96503 482.5602 14.07707 -22.10175      24.42880 
1 1 1 -15 11 3  o 312.0956 12.52947 22.92461       1.839456  21.24674       2.975703  23.96227       2.340116  299.5212 21.25801 319.0228 15.59360 -19.50153      26.36406 
1 1 1 -15 11 4  o 812.0980 14.78043 155.2615       5.646309  155.2615       5.646309  0.000000       0.000000  812.0980 14.78043 ?        ?        0.000000       14.78043 
1 1 1 -15 11 5  f 618.1290 11.17409 89.91605       3.249083  89.00733       3.860598  92.12247       6.015705  614.9252 13.34636 625.2618 20.45292 -10.33661      24.42227 
1 1 1 -15 11 6  o 238.3557 14.75827 13.42719       1.646603  11.24352       1.864912  21.15042       3.507228  217.6992 18.38284 298.3820 25.22375 -80.68288      31.21164 
1 1 1 -15 11 7  o 1115.529 14.86987 292.9983       7.802921  289.9803       9.409465  299.6433       13.96224  1109.491 18.02901 1126.822 26.34089 -17.33167      31.92003 
1 1 1 -15 11 8  f 545.7713 14.11326 70.12998       3.623325  78.41856       5.152224  62.01960       5.096541  576.8847 18.98613 512.9191 21.12308 63.96558       28.40172 
1 1 1 -15 11 9  o 455.6912 14.89520 48.89990       3.192908  47.94888       4.096025  50.37274       5.097356  451.0522 19.30485 461.4857 23.55953 -10.43350      30.45864 
1 1 1 -15 11 10 o 422.5679 11.98867 42.03400       2.383071  42.13250       2.744762  41.73238       4.802921  423.0047 13.79400 419.7843 24.42821 3.220428       28.05373 
1 1 1 -15 11 11 o 220.1643 17.51430 11.49518       1.798887  11.09907       2.055316  12.79213       3.719040  215.9791 20.47468 229.6458 35.57803 -13.66670      41.04886 
1 1 1 -15 11 12 f 55.46666 25.88645 -1.603891      1.663178  -1.674611      1.974014  -1.430858      3.087737  61.85519 28.63962 83.93648 37.66552 -22.08128      47.31722 
1 1 1 -15 11 13 o 814.9357 13.23178 156.4182       5.072372  159.9706       6.332685  150.0595       8.472487  823.8386 16.34092 797.1436 22.59462 26.69501       27.88445 
1 1 1 -15 11 14 o 233.7864 17.91222 12.96722       1.954887  12.94410       2.746556  12.99095       2.783060  232.5420 25.52829 232.9166 25.83642 -0.3746185     36.32099 
1 1 1 -15 11 15 o 468.6145 16.77006 51.80095       3.696746  54.71788       4.142686  40.39834       8.190703  481.4948 18.29031 408.3276 43.30341 73.16718       47.00767 
1 1 1 -15 11 16 o 503.1106 12.49327 59.64826       2.956710  69.79491       4.751157  53.23505       3.777251  543.5927 18.58046 474.9175 16.90784 68.67511       25.12188 
1 1 1 -15 11 17 o 584.6355 14.69513 80.64911       4.041364  86.80144       7.799848  78.39130       4.725085  604.1282 27.44654 576.0182 17.43830 28.10999       32.51780 
1 1 1 -15 11 18 o 663.7194 17.49011 104.1822       5.460676  0.000000       0.000000  104.1822       5.460676  ?        ?        663.7194 17.49011 0.000000       17.49011 
1 1 1 -15 11 19 o 327.4441 17.29009 25.45204       2.653759  26.37337       5.748631  25.20253       2.991597  327.7580 37.99009 325.3979 19.63624 2.360107       42.76480 
1 1 1 -15 11 20 o 669.6814 14.71261 106.0797       4.634760  100.2928       6.483198  112.1284       6.628292  649.1808 21.23021 686.6818 20.51997 -37.50098      29.52611 
1 1 1 -15 11 21 o 248.2999 19.16226 14.75225       2.220855  16.02069       3.991148  14.18335       2.672881  254.3251 34.23034 242.3280 23.75343 11.99706       41.66463 
1 1 1 -15 11 22 o 498.0634 14.60426 58.81285       3.421634  62.53309       5.591125  56.58533       4.326382  510.4575 23.28468 487.2443 18.87595 23.21320       29.97462 
1 1 1 -15 11 23 o 156.9039 45.73132 6.501694       3.582260  5.474899       4.118766  9.690845       7.258765  146.9146 49.90586 187.5939 66.12992 -40.67929      82.84782 
1 1 1 -15 11 24 o 237.7078 23.92130 13.81058       2.638506  13.32973       4.515518  14.05987       3.251299  223.8128 44.45702 237.4884 29.75677 -13.67561      53.49666 
1 1 1 -15 11 25 o 365.1959 18.59837 32.09144       3.184418  26.39346       5.110951  35.70695       4.071231  322.5163 34.21077 383.1974 22.68674 -60.68115      41.04955 
1 1 1 -15 11 26 o 313.3333 20.57814 23.83196       3.016205  27.95064       5.033230  21.52413       3.767638  331.9404 32.65696 294.1120 27.55363 37.82837       42.72797 
1 1 1 -15 11 27 o 173.8430 33.87333 7.918553       2.670458  9.679543       4.378588  6.875571       3.369722  183.2894 49.58400 157.2242 43.88772 26.06525       66.21710 
1 1 1 -15 11 28 o 171.9305 33.97232 7.833742       2.650131  6.501861       4.294449  8.652901       3.367897  149.6512 50.95850 176.5249 41.29361 -26.87367      65.58911 
1 1 1 -15 11 29 o 323.8727 25.47568 26.38652       3.849901  27.68728       8.150753  26.01298       4.367849  291.0602 61.45976 318.0822 29.52852 -27.02203      68.18530 
1 1 1 -15 11 30 o 181.4823 51.94764 10.62540       4.660003  12.24733       6.113930  8.376933       7.198602  184.3078 60.77541 153.9569 62.84779 30.35091       87.42709 
1 1 1 -15 11 31 o 229.1810 43.82534 15.85727       4.552498  0.000000       0.000000  15.85727       4.552498  ?        ?        229.1810 43.82534 0.000000       43.82534 
1 1 1 -15 11 32 o 241.0113 40.36348 17.53675       4.414282  14.55410       6.267530  20.47265       6.218236  184.2691 61.56753 235.0907 56.85234 -50.82159      83.80184 
1 1 1 -15 11 33 o 290.9479 34.22184 24.78798       4.594175  24.14388       6.441511  25.45482       6.554246  248.4039 56.41277 256.5553 55.89042 -8.151352      79.41121 
1 1 1 -15 13 1  o 272.5881 16.76348 17.56379       2.139094  19.88700       3.932322  16.58740       2.549273  288.7639 29.35748 264.5179 20.65133 24.24603       35.89345 
1 1 1 -15 13 2  o 431.5716 12.03672 43.83534       2.443600  48.50368       4.321944  41.64180       2.962582  453.7039 20.25057 420.5609 14.97518 33.14297       25.18614 
1 1 1 -15 13 3  o 1318.596 14.40376 409.3296       8.934224  393.1828       12.32992  427.1790       12.96370  1291.727 20.29178 1346.391 20.46862 -54.66418      28.82223 
1 1 1 -15 13 4  o 312.4074 17.94216 23.06562       2.625665  23.06562       2.625665  0.000000       0.000000  312.4074 17.94216 ?        ?        0.000000       17.94216 
1 1 1 -15 13 5  o 405.9886 12.19549 38.79566       2.329069  39.50428       2.829546  37.30678       4.101476  409.6125 14.68501 397.1866 22.03862 12.42593       26.48302 
1 1 1 -15 13 6  o 1683.780 17.27188 667.8427       13.68025  660.3981       15.66716  691.7361       28.06794  1673.950 19.89658 1709.611 34.90148 -35.66089      40.17446 
1 1 1 -15 13 7  o 102.6873 29.42760 2.548625       1.494632  2.518122       1.651835  2.686385       3.510422  103.0057 31.31357 122.0350 45.54398 -19.02924      55.27019 
1 1 1 -15 13 8  o 145.7591 26.49029 5.172088       1.749412  5.176977       1.923114  5.148633       4.212238  145.4486 29.12351 151.0934 50.47314 -5.644730      58.27278 
1 1 1 -15 13 9  o 259.9662 37.60056 16.35826       4.464550  0.000000       0.000000  16.35826       4.464550  ?        ?        259.9662 37.60056 0.000000       37.60056 
1 1 1 -15 13 10 f 299.9241 14.21256 21.18630       2.005179  20.82322       2.207080  22.90285       4.798926  296.8718 15.86188 309.1012 33.54288 -12.22940      37.10424 
1 1 1 -15 13 11 o 459.8452 12.55861 49.79361       2.716579  49.96249       3.140478  49.29165       5.414363  460.5344 14.49654 456.0034 25.34114 4.530945       29.19457 
1 1 1 -15 13 12 o 676.3366 12.28394 107.7234       3.908139  112.6098       4.881190  98.99705       6.523039  691.2922 15.01049 647.5364 21.41492 43.75580       26.15174 
1 1 1 -15 13 13 o 278.6948 16.77358 18.38271       2.188750  21.29699       2.650489  12.13457       3.880924  299.8179 18.88971 222.5396 38.46447 77.27831       42.85249 
1 1 1 -15 13 14 o 274.4852 16.82114 17.84166       2.161443  20.79578       2.938384  14.35851       3.190660  295.8666 21.25431 244.4238 28.27211 51.44287       35.37029 
1 1 1 -15 13 15 o 769.5103 12.77425 139.5670       4.624016  137.3034       6.262641  142.2800       6.856300  762.5491 17.45904 776.0060 18.78259 -13.45685      25.64379 
1 1 1 -15 13 16 o 389.7982 18.78157 35.93114       3.443824  36.72031       3.852016  32.78835       7.687039  393.2596 20.89783 364.9612 45.78334 28.29834       50.32727 
1 1 1 -15 13 17 o 157.6768 25.62225 6.064439       1.835195  4.651233       3.288480  6.703640       2.211624  139.1450 44.47584 165.1214 29.55873 -25.97635      53.40243 
1 1 1 -15 13 18 o 498.8374 13.27133 58.75259       3.114173  60.97084       4.983072  57.33100       3.989131  506.7291 20.90509 492.1182 17.23215 14.61084       27.09188 
1 1 1 -15 13 19 o 61.32745 27.39351 -0.6376342     1.613327  -5.944116      3.359136  0.9534124      1.839356  67.04512 32.70198 82.00695 32.34794 -14.96183      45.99792 
1 1 1 -15 13 20 o 495.4618 15.39073 58.15663       3.587061  55.88586       7.240910  58.89514       4.129364  478.8568 32.33479 498.0391 17.62586 -19.18228      36.82675 
1 1 1 -15 13 21 o 192.0254 23.34052 8.965113       2.064977  10.72260       4.091423  8.364407       2.391986  203.0792 44.09321 183.9087 28.57715 19.17052       52.54393 
1 1 1 -15 13 22 o 507.6149 14.68807 61.16034       3.507265  57.78467       5.659633  63.26489       4.468763  488.7962 24.69450 514.9258 18.44902 -26.12967      30.82506 
1 1 1 -15 13 23 o 191.5564 27.26546 9.101707       2.387512  7.987515       5.894465  9.320377       2.611308  171.6840 59.65146 192.9836 29.71904 -21.29953      66.64471 
1 1 1 -15 13 24 o 162.7491 51.70863 7.267118       4.450134  12.50297       6.022891  0.9720572      6.604063  207.4132 58.94953 129.9191 56.83400 77.49416       81.88498 
1 1 1 -15 13 25 o 168.7819 51.14009 7.998012       4.411115  7.998012       4.411115  0.000000       0.000000  168.7819 51.14009 ?        ?        0.000000       51.14009 
1 1 1 -15 13 26 o 77.32107 34.50629 -0.6221789     2.553712  -4.405470      5.760695  0.3031272      2.848936  99.04903 46.83199 88.24884 37.97242 10.80019       60.29212 
1 1 1 -15 13 27 o 200.7583 32.61753 10.46178       2.974574  5.056481       6.121988  12.13225       3.403311  143.7567 58.22849 215.1560 34.81561 -71.39935      67.84309 
1 1 1 -15 13 28 o 134.0665 39.00737 4.961397       2.608310  2.986583       4.316397  6.097280       3.273595  119.4498 48.70289 146.2170 44.00010 -26.76717      65.63520 
1 1 1 -15 13 29 o 82.50497 36.95124 -0.3900146     2.956443  -4.331154      5.568048  1.157323       3.488868  93.38203 44.68335 98.58780 42.21026 -5.205772      61.46795 
1 1 1 -15 13 30 o 209.6269 34.16721 12.03091       3.253124  4.667063       5.182078  16.82040       4.179227  128.4222 52.97639 245.1917 37.41997 -116.7695      64.85948 
1 1 1 -15 13 31 o 94.24274 41.11551 1.160589       3.435461  -3.103449      5.195349  4.473841       4.579641  89.73489 42.99710 121.8045 49.97168 -32.06959      65.92358 
1 1 1 -15 13 32 o 328.9217 30.29370 29.85354       4.634530  20.46968       6.224431  41.52795       6.942665  229.8145 57.67020 367.2911 40.87680 -137.4766      70.68780 
1 1 1 -15 15 1  o 326.5967 15.63266 25.11866       2.401674  31.39747       4.087213  21.80737       2.968157  364.0533 24.00139 303.4456 20.92177 60.60770       31.84002 
1 1 1 -15 15 2  o 1099.235 15.24028 284.5360       7.880480  288.8549       10.18430  278.0916       12.44065  1107.120 19.55543 1085.712 24.35899 21.40845       31.23740 
1 1 1 -15 15 3  o 756.5028 13.64432 134.7369       4.855474  136.7746       5.908728  130.4994       8.520565  762.0305 16.48361 743.7155 24.35523 18.31506       29.40896 
1 1 1 -15 15 4  o 626.7228 12.14929 92.45715       3.581755  91.60925       4.217970  94.64924       6.782002  623.7418 14.37571 633.4686 22.75954 -9.726746      26.91947 
1 1 1 -15 15 5  o 1318.794 16.65316 409.7138       10.33101  409.0310       12.59516  411.1177       18.06047  1317.185 20.32767 1318.910 29.11015 -1.725464      35.50514 
1 1 1 -15 15 6  f 1048.495 13.28326 258.8408       6.551493  254.7281       7.499908  272.0868       13.45976  1039.948 15.33115 1073.266 26.66004 -33.31714      30.75389 
1 1 1 -15 15 7  o 824.1958 13.78020 159.9662       5.342631  152.3643       6.112471  184.5720       10.99695  804.1904 16.15804 883.8771 26.44911 -79.68671      30.99415 
1 1 1 -15 15 8  o 1083.169 15.42464 276.4039       7.859243  279.9287       9.529228  268.9061       13.89797  1089.650 18.59094 1066.434 27.70436 23.21582       33.36398 
1 1 1 -15 15 9  o 612.7676 13.40647 88.43340       3.864378  87.87535       4.445060  90.16053       7.819916  610.6946 15.47335 617.4624 26.92292 -6.767822      31.05267 
1 1 1 -15 15 10 o 515.5306 11.32678 62.57636       2.746820  62.16856       2.948894  65.24971       7.550231  513.8042 12.20091 523.7681 30.77973 -9.963928      33.10973 
1 1 1 -15 15 11 o 811.5173 12.65780 155.1247       4.831983  153.3105       5.740419  159.5352       8.950245  806.5007 15.13107 821.5402 23.15991 -15.03955      27.66461 
1 1 1 -15 15 12 o 254.2315 18.58413 15.33811       2.207096  16.04490       2.275616  4.129014       9.062343  260.0363 18.72895 176.6488 71.09217 83.38754       73.51782 
1 1 1 -15 15 13 o 265.5722 18.57065 16.73902       2.305350  17.81023       2.632597  13.21592       4.774301  273.7037 20.59825 230.3185 45.67999 43.38519       50.10938 
1 1 1 -15 15 14 o 116.2340 34.21188 3.285253       1.996135  3.179102       2.290203  3.620813       4.071894  116.2174 37.11292 134.4009 49.25123 -18.18353      61.66890 
1 1 1 -15 15 15 o 115.2786 34.20077 3.233704       1.988245  2.303014       2.581191  4.591605       3.117823  107.5674 39.24398 137.9331 43.21266 -30.36568      58.37315 
1 1 1 -15 15 16 o 532.2503 20.83656 67.19245       5.216884  65.07135       6.240145  72.11653       9.507724  522.7259 25.37765 545.2373 37.29381 -22.51141      45.10935 
1 1 1 -15 15 17 o 324.4673 16.49010 24.97721       2.508607  23.33741       3.716301  26.34989       3.400153  311.6983 25.57111 332.2180 21.87982 -20.51968      33.65424 
1 1 1 -15 15 18 o 225.2612 19.50987 12.14190       2.046917  14.95185       3.484212  10.66095       2.529443  247.3619 30.59595 209.4629 26.24769 37.89906       40.31195 
1 1 1 -15 15 19 o 346.7376 16.23084 28.50670       2.647349  22.95572       4.044030  32.66945       3.502025  307.4492 28.27922 369.8460 20.20580 -62.39673      34.75613 
1 1 1 -15 15 20 o 552.5124 24.44672 73.33607       6.353777  72.94888       8.018696  73.98930       10.41534  546.5990 31.31687 543.4542 41.04462 3.144836       51.62758 
1 1 1 -15 15 21 f 122.7948 32.02657 3.830831       1.869208  4.837279       3.812576  3.512362       2.144650  140.0928 48.01295 118.2544 35.62027 21.83841       59.78334 
1 1 1 -15 15 22 o 270.6917 19.67561 17.63365       2.488239  21.71225       6.174656  16.84292       2.718761  286.4372 47.48981 263.7332 22.11905 22.70395       52.38831 
1 1 1 -15 15 23 o 225.6581 21.58638 12.37040       2.263438  13.28418       4.377504  12.03695       2.644362  224.1933 43.07354 221.0402 25.92430 3.153152       50.27324 
1 1 1 -15 15 24 o 194.6915 40.46223 10.03436       3.584696  7.279019       4.109040  18.81094       7.333577  162.6939 49.37197 251.9449 62.24220 -89.25104      79.44610 
1 1 1 -15 15 25 o 282.2093 20.87811 19.35233       2.751938  19.61813       4.684414  19.21225       3.400609  275.0526 37.15612 278.6276 26.25517 -3.574982      45.49628 
1 1 1 -15 15 26 f 90.24475 35.73516 1.400217       2.252805  -0.3093607     4.166197  2.106640       2.678106  99.47572 44.25645 101.9066 39.36598 -2.430870      59.23102 
1 1 1 -15 15 27 o 203.2887 28.07236 10.51812       2.612861  0.4947976      4.241981  16.64577       3.316727  103.5716 45.42270 256.4913 27.94160 -152.9197      53.32874 
1 1 1 -15 15 28 o 97.25727 39.08360 1.776552       2.734583  -7.838882      5.462753  4.991745       3.158861  83.48637 40.92898 132.6997 43.68156 -49.21336      59.86034 
1 1 1 -15 15 29 o 326.9528 23.43795 26.86684       3.580825  15.53508       5.981371  33.19672       4.470437  213.6487 58.01819 360.3696 26.55852 -146.7209      63.80803 
1 1 1 -15 15 30 o 116.3801 41.61265 3.922990       2.883991  0.4782997      4.971518  5.670146       3.540624  102.9125 46.82570 134.0876 46.25180 -31.17509      65.81698 
1 1 1 -15 15 31 o 125.8322 50.99217 5.398336       4.697299  5.398336       4.697299  0.000000       0.000000  125.8322 50.99217 ?        ?        0.000000       50.99217 
1 1 1 -15 17 1  o 1151.604 13.99190 312.3004       7.579648  335.2847       11.94752  296.8186       9.805559  1192.276 21.30256 1122.177 18.57554 70.09814       28.26393 
1 1 1 -15 17 2  o 627.7646 13.49926 92.79709       3.986357  91.93184       5.179203  94.05470       6.244066  624.5770 17.62818 631.4853 21.02011 -6.908264      27.43352 
1 1 1 -15 17 3  o 420.6631 17.97943 41.70859       3.557785  41.70859       3.557785  0.000000       0.000000  420.6631 17.97943 ?        ?        0.000000       17.97943 
1 1 1 -15 17 4  o 105.1151 30.36885 2.669703       1.585966  3.976437       2.023014  0.5858750      2.554678  127.2428 33.38190 90.37523 37.22871 36.86760       50.00328 
1 1 1 -15 17 5  o 897.7740 12.79471 189.7946       5.403399  184.4554       6.141604  208.0856       11.36745  884.8849 14.75454 938.3599 25.75280 -53.47498      29.68001 
1 1 1 -15 17 6  o 241.0954 17.47978 13.77500       1.968947  11.98921       2.144551  23.35910       4.968179  224.4835 20.53626 311.8873 34.43777 -87.40379      40.09611 
1 1 1 -15 17 7  o 851.6746 14.05496 170.8810       5.630834  171.6362       6.710732  169.0844       10.35061  853.2665 16.71922 845.5175 26.02401 7.749023       30.93188 
1 1 1 -15 17 8  o 412.6364 21.17010 40.31296       4.095391  44.50060       5.720391  35.90963       5.865863  432.5201 28.27132 387.5854 32.47252 44.93463       43.05499 
1 1 1 -15 17 9  o 687.4670 13.87843 111.3717       4.488090  111.5206       5.204235  110.9394       8.865513  687.7005 16.08749 684.2103 27.54514 3.490173       31.89893 
1 1 1 -15 17 10 o 647.3303 14.25542 98.78117       4.340856  106.0420       5.186850  81.80738       7.930511  670.4482 16.44633 587.0686 28.71726 83.37964       33.09325 
1 1 1 -15 17 11 o 474.2063 11.56724 52.97881       2.580277  53.64871       2.746733  47.94888       7.526455  477.1473 12.23756 446.4783 36.14629 30.66907       38.16166 
1 1 1 -15 17 12 o 99.97701 31.57899 2.352461       1.661628  3.128718       1.775575  -3.119757      4.714308  113.0290 31.96643 98.25340 45.04342 14.77555       55.23370 
1 1 1 -15 17 13 o 514.6468 15.87700 62.54964       3.843678  62.54964       3.843678  0.000000       0.000000  514.6468 15.87700 ?        ?        0.000000       15.87700 
1 1 1 -15 17 14 o 701.8765 19.82595 116.7051       6.545820  128.2997       8.529179  100.0892       10.21038  734.4667 24.68686 644.7779 33.78127 89.68878       41.84035 
1 1 1 -15 17 15 o 209.8937 31.12170 10.78617       2.979694  10.16944       3.805811  11.76299       4.789685  200.8893 41.64119 214.4558 48.60221 -13.56651      64.00127 
1 1 1 -15 17 16 o 203.5028 25.81262 10.04598       2.415438  8.645080       2.953232  12.87682       4.198092  186.1920 35.00339 226.3740 40.93015 -40.18198      53.85642 
1 1 1 -15 17 17 o 135.4647 41.00158 4.571620       2.836582  3.631328       3.128596  8.914983       6.724053  125.8024 43.47263 187.4435 63.76472 -61.64108      77.17389 
1 1 1 -15 17 18 o 229.2803 22.69183 12.68173       2.415273  14.40285       3.438119  11.00476       3.393737  242.0597 30.89954 209.5458 35.70978 32.51387       47.22255 
1 1 1 -15 17 19 o 277.8808 18.20960 18.45436       2.367119  23.04267       3.797530  15.53878       3.027170  308.0907 26.45990 252.7962 25.81877 55.29449       36.96938 
1 1 1 -15 17 20 o 276.7151 17.97079 18.31910       2.326542  20.03014       4.115547  17.51550       2.820457  284.7455 31.23874 269.2698 22.47237 15.47568       38.48203 
1 1 1 -15 17 21 o 207.4544 23.96537 10.50975       2.295670  16.64982       5.461563  9.192138       2.530025  250.1915 48.15386 192.2380 28.86996 57.95343       56.14507 
1 1 1 -15 17 22 o 273.4078 18.34233 17.94888       2.345369  14.27722       3.989068  19.88867       2.899462  236.2293 37.12217 286.7414 21.65572 -50.51213      42.97704 
1 1 1 -15 17 23 o 228.5581 20.92294 12.67599       2.224552  11.06922       4.066476  13.36219       2.657444  203.4542 43.78692 233.3885 24.57487 -29.93439      50.21173 
1 1 1 -15 17 24 o 165.5407 28.75688 6.934750       2.158064  13.95318       4.190898  4.402163       2.517498  230.0583 40.18842 129.5157 38.49813 100.5426       55.65263 
1 1 1 -15 17 25 o 105.5641 43.96415 1.464388       3.617843  3.285222       4.230413  -3.492866      6.980206  124.2505 49.04271 112.7367 52.75135 11.51375       72.02702 
1 1 1 -15 17 26 o 91.06203 35.13397 1.632610       2.131226  4.241344       4.229361  0.7447218      2.467397  130.3055 49.68715 86.16855 36.12965 44.13699       61.43423 
1 1 1 -15 17 27 o 390.2166 19.94957 37.22972       3.649678  17.43460       6.298561  47.23566       4.478075  234.8899 57.47413 438.5988 21.70474 -203.7089      61.43591 
1 1 1 -15 17 28 o 69.49320 32.97291 -2.638427      2.904010  0.000000       0.000000  -2.638427      2.904010  ?        ?        69.49320 32.97291 0.000000       32.97291 
1 1 1 -15 17 29 o 117.2129 40.66797 3.926453       2.739262  4.182521       5.041670  3.819199       3.262880  124.3728 51.85689 116.7807 43.84466 7.592102       67.90796 
1 1 1 -15 17 30 o 111.7819 42.92289 3.593888       3.170046  1.270214       4.694859  5.541023       4.297669  103.0314 46.32293 129.0797 49.86670 -26.04832      68.06248 
1 1 1 -15 19 1  o 329.5323 16.06958 25.59741       2.490990  26.52087       4.223840  25.10496       3.084476  333.6585 27.14675 325.5142 20.24410 8.144287       33.86399 
1 1 1 -15 19 2  o 603.5898 12.43884 85.80510       3.531760  85.86841       5.033495  85.74371       4.956716  603.3895 17.73384 602.9752 17.47532 0.4142456      24.89731 
1 1 1 -15 19 3  o 995.1101 18.33298 233.6175       8.581705  233.6175       8.581705  0.000000       0.000000  995.1101 18.33298 ?        ?        0.000000       18.33298 
1 1 1 -15 19 4  o 94.25204 32.84946 1.884186       1.788217  1.221238       1.993173  4.619501       4.048640  88.24953 33.99709 144.3162 49.47697 -56.06667      60.03143 
1 1 1 -15 19 5  o 339.6174 15.32083 27.19190       2.447607  29.80362       2.854863  19.94649       4.755034  355.4524 17.07397 287.2036 35.98613 68.24881       39.83117 
1 1 1 -15 19 6  o 479.1757 13.45881 54.10900       3.033687  52.03017       3.447818  61.23663       6.384228  469.7245 15.60385 507.6092 26.83212 -37.88474      31.03938 
1 1 1 -15 19 7  o 489.3912 28.49734 57.04519       6.531995  0.000000       0.000000  57.04519       6.531995  ?        ?        489.3912 28.49734 0.000000       28.49734 
1 1 1 -15 19 8  o 462.5029 14.54485 50.44461       3.164413  48.24884       3.539629  59.18550       7.062227  452.1407 16.64236 497.8982 30.29717 -45.75745      34.56713 
1 1 1 -15 19 9  o 401.3987 15.81770 38.02563       2.986678  39.08002       3.353147  33.97741       6.570286  406.7678 17.52414 374.6451 37.79828 32.12268       41.66300 
1 1 1 -15 19 10 o 638.4482 14.50330 96.17503       4.355739  93.48295       4.887345  106.5696       9.603535  629.1552 16.51376 668.4544 30.54148 -39.29926      34.72011 
1 1 1 -15 19 11 o 146.0461 23.92655 5.192842       1.586825  5.192842       1.586825  0.000000       0.000000  146.0461 23.92655 ?        ?        0.000000       23.92655 
1 1 1 -15 19 12 o 848.5023 12.26545 169.8050       4.895597  169.6344       5.332611  170.7194       12.34805  847.8549 13.37054 844.4630 31.08483 3.391907       33.83841 
1 1 1 -15 19 13 o 676.3477 13.26905 107.9825       4.221622  107.9825       4.221622  0.000000       0.000000  676.3477 13.26905 ?        ?        0.000000       13.26905 
1 1 1 -15 19 14 o 306.2494 17.52396 22.28684       2.514026  24.00781       2.815396  15.51458       5.584946  317.6252 18.92915 245.9532 49.97649 71.67207       53.44120 
1 1 1 -15 19 15 o 461.4020 17.61935 50.47654       3.824183  50.47654       3.824183  0.000000       0.000000  461.4020 17.61935 ?        ?        0.000000       17.61935 
1 1 1 -15 19 16 o 308.4178 19.33419 22.70286       2.790830  26.09050       3.313619  14.43502       5.176661  330.1767 21.45101 236.1841 48.22504 93.99254       52.78068 
1 1 1 -15 19 17 o 549.7043 17.47015 71.78104       4.517467  74.55463       5.149369  62.51487       9.412004  559.5218 19.56445 501.0786 40.27085 58.44321       44.77174 
1 1 1 -15 19 18 o 418.4971 21.74203 42.00496       4.265434  42.00496       4.265434  0.000000       0.000000  418.4971 21.74203 ?        ?        0.000000       21.74203 
1 1 1 -15 19 19 o 374.3524 16.70394 33.32604       2.941500  31.93557       4.272027  34.57955       4.056179  363.1435 25.16358 378.8746 22.86610 -15.73114      34.00095 
1 1 1 -15 19 20 o 230.3543 22.26766 12.85721       2.382809  9.884891       3.441810  15.59317       3.302129  195.8760 38.72635 251.7286 28.38174 -55.85260      48.01305 
1 1 1 -15 19 21 o 231.7795 24.70728 13.13231       2.652302  9.970274       5.280414  14.19927       3.067312  189.4180 55.61278 239.9910 27.67761 -50.57298      62.11949 
1 1 1 -15 19 22 o 354.5724 18.41512 30.17236       3.060914  19.69679       6.251938  33.47504       3.510422  268.4092 51.38786 372.8244 20.09055 -104.4151      55.17556 
1 1 1 -15 19 23 o 83.82787 33.21135 1.100943       1.946763  -1.300169      3.680501  2.033677       2.293928  89.66531 40.59787 98.58573 36.81171 -8.920425      54.80227 
1 1 1 -15 19 24 o 313.7289 18.10918 23.73296       2.661169  29.40396       4.899338  21.35962       3.169480  341.7250 30.80966 295.3553 22.99377 46.36972       38.44410 
1 1 1 -15 19 25 o 209.4589 24.72030 10.93194       2.388753  11.02608       4.211771  10.88730       2.900356  197.7314 46.12646 205.9216 30.89520 -8.190186      55.51724 
1 1 1 -15 19 26 o 156.2982 52.24251 7.337687       4.512766  7.337687       4.512766  0.000000       0.000000  156.2982 52.24251 ?        ?        0.000000       52.24251 
1 1 1 -15 19 27 o 181.8123 33.19394 8.858581       2.734299  11.07016       5.369264  8.084221       3.177132  183.0140 56.60539 168.5482 40.56258 14.46582       69.63831 
1 1 1 -15 19 28 o 87.15514 37.03809 0.9147404      2.650204  -5.627230      4.759852  3.853984       3.190487  80.46599 39.17757 117.6228 43.51322 -37.15681      58.55154 
1 1 1 -15 21 1  f 814.2593 17.59483 156.5222       6.739336  0.000000       0.000000  156.5222       6.739336  ?        ?        814.2593 17.59483 0.000000       17.59483 
1 1 1 -15 21 2  o 358.6461 17.36272 30.36502       2.929228  28.91290       3.430345  34.27468       5.628689  349.0493 20.98966 378.0837 31.94736 -29.03442      38.22564 
1 1 1 -15 21 3  o 446.0178 13.05894 46.88983       2.739866  52.72232       3.774616  40.39456       3.983313  472.5936 16.97914 413.3262 20.48718 59.26746       26.60856 
1 1 1 -15 21 4  o 756.7697 13.86352 135.0396       4.935220  136.9146       5.895378  130.6481       9.022374  761.6136 16.45537 742.0544 25.84733 19.55920       30.64088 
1 1 1 -15 21 5  f 558.9564 19.94701 73.88677       5.244753  69.97623       7.418635  77.79430       7.415768  541.5140 29.23189 572.1332 27.55432 -30.61920      40.17143 
1 1 1 -15 21 6  o 121.4099 34.47919 3.617641       2.061268  3.617641       2.061268  0.000000       0.000000  121.4099 34.47919 ?        ?        0.000000       34.47919 
1 1 1 -15 21 7  o 425.9541 22.03043 43.10705       4.399129  45.80856       6.135902  40.24971       6.310382  437.2942 30.01038 408.9565 33.08616 28.33774       44.66897 
1 1 1 -15 21 8  o 511.2033 14.24146 61.67188       3.424659  61.97276       3.892954  60.64210       7.201980  512.2019 16.15730 502.9924 30.58353 9.209503       34.58917 
1 1 1 -15 21 9  o 244.2835 20.24384 14.23337       2.305287  14.21946       2.520917  14.30440       5.696733  243.8188 22.22383 236.5807 52.55531 7.238174       57.06101 
1 1 1 -15 21 10 o 383.9078 18.55091 34.89730       3.350129  34.89730       3.350129  0.000000       0.000000  383.9078 18.55091 ?        ?        0.000000       18.55091 
1 1 1 -15 21 11 o 522.2709 15.35239 64.47649       3.771735  64.89552       4.219910  62.81213       8.410124  523.6453 17.13155 508.9318 35.34889 14.71356       39.28148 
1 1 1 -15 21 12 o 449.7841 12.24575 47.74874       2.590949  46.88992       2.740207  54.99406       7.959076  445.6126 13.07244 475.2488 35.86605 -29.63620      38.17410 
1 1 1 -15 21 13 o 102.9323 31.99597 2.551661       1.713074  2.964791       1.792782  -1.786861      5.809723  109.8539 32.44758 115.6948 51.80867 -5.840965      61.13088 
1 1 1 -15 21 14 o 399.1440 15.99522 37.73997       3.003233  40.08949       3.308903  26.75684       7.154154  411.1702 17.10776 323.9646 48.43166 87.20557       51.36440 
1 1 1 -15 21 15 o 139.0478 35.05495 4.895916       2.292282  4.086191       2.552422  8.271885       5.211743  128.1450 38.91778 178.3417 55.86936 -50.19673      68.08802 
1 1 1 -15 21 16 o 193.3687 28.39013 9.204051       2.505502  9.996343       2.836738  6.393363       5.342976  200.8599 31.02264 161.7002 56.75791 39.15974       64.68280 
1 1 1 -15 21 17 o 355.3330 20.94058 30.26079       3.484733  33.01667       3.768848  14.02200       9.148606  370.9647 21.69213 222.0411 74.38326 148.9236       77.48173 
1 1 1 -15 21 18 o 221.9525 28.16235 12.11129       2.874182  11.69919       3.173902  13.98930       6.775490  216.7111 32.10590 223.6915 62.15828 -6.980392      69.96027 
1 1 1 -15 21 19 o 321.0195 19.76194 24.72383       2.969716  23.90766       3.722647  26.15232       4.924920  313.6380 25.45165 324.8404 32.67320 -11.20233      41.41647 
1 1 1 -15 21 20 o 212.5565 32.60820 11.36427       3.156313  11.87574       5.251072  11.07494       3.949395  207.5755 53.45467 205.5699 42.25368 2.005524       68.13791 
1 1 1 -15 21 21 o 456.7573 15.72436 49.69652       3.378530  56.18444       5.260324  45.14105       4.407843  482.0935 23.19594 432.3356 21.74321 49.75790       31.79337 
1 1 1 -15 21 22 o 77.86800 34.55455 -0.5500766     2.524095  0.1924792      5.352705  -0.7624097     2.862316  115.4843 50.82635 81.61272 36.46864 33.87163       62.55621 
1 1 1 -15 21 23 o 95.57215 36.57875 1.807542       2.297515  2.141667       3.469780  1.546671       3.065923  109.8430 44.06604 101.0037 41.09874 8.839302       60.25714 
1 1 1 -15 21 24 o 187.3573 27.36464 8.875529       2.340608  7.422730       4.042326  9.608277       2.870821  160.8530 49.00442 192.2518 32.92880 -31.39873      59.04015 
1 1 1 -15 21 25 o 71.39717 31.81373 -0.4561461     2.161787  -4.687487      3.484235  2.192251       2.756512  70.48677 34.13022 102.2284 39.81300 -31.74168      52.43994 
1 1 1 -15 21 26 o 162.2449 47.08339 7.897604       3.804576  1.534483       4.584247  21.97979       6.819742  110.1675 47.78323 262.8023 56.82098 -152.6348      74.24191 
1 1 1 -15 21 27 o 144.5904 38.40968 5.998680       2.656717  3.269917       4.797142  7.205869       3.190710  119.3318 50.22356 155.8313 42.39874 -36.49959      65.72715 
1 1 1 -15 23 1  o 336.1775 17.26468 26.77656       2.721002  29.65202       4.357163  24.93825       3.483849  352.1414 26.49798 323.4605 23.04720 28.68085       35.11860 
1 1 1 -15 23 2  o 266.3230 21.71629 16.91878       2.696908  18.76980       3.235841  12.70809       4.880430  280.0333 24.82176 224.4038 47.70325 55.62949       53.77471 
1 1 1 -15 23 3  o 462.3381 13.35108 50.42505       2.903658  51.40376       3.918057  49.23259       4.324790  466.2584 17.86384 455.9752 20.16297 10.28320       26.93812 
1 1 1 -15 23 4  o 526.0012 27.72023 66.11178       6.834659  0.000000       0.000000  66.11178       6.834659  ?        ?        526.0012 27.72023 0.000000       27.72023 
1 1 1 -15 23 5  o 506.1512 30.14319 61.44472       7.144425  0.000000       0.000000  61.44472       7.144425  ?        ?        506.1512 30.14319 0.000000       30.14319 
1 1 1 -15 23 6  o 306.5446 27.40790 22.58483       3.910511  28.24614       5.611138  17.23841       5.452852  340.8054 35.52263 262.1799 45.88503 78.62546       58.02838 
1 1 1 -15 23 7  o 448.3047 14.75165 47.47466       3.110879  48.04670       3.506953  45.36267       6.738563  450.7478 16.53968 433.2127 33.32276 17.53513       37.20171 
1 1 1 -15 23 8  o 96.51410 33.05676 2.067875       1.807255  2.301083       1.943130  0.5731273      4.919428  101.0914 34.27857 119.0931 50.53033 -18.00175      61.06009 
1 1 1 -15 23 9  o 111.8371 34.21058 3.034203       1.967372  4.354264       2.126136  -4.827587      5.188654  131.9015 34.03806 96.46404 45.24632 35.43748       56.61995 
1 1 1 -15 23 10 o 305.7430 18.43670 22.24359       2.639203  22.30480       2.906559  21.95601       6.299804  305.7881 20.32210 294.7670 47.01323 11.02115       51.21749 
1 1 1 -15 23 11 o 83.80307 34.24038 0.6846788      2.139105  1.359589       2.325223  -3.032105      5.456640  93.53255 36.52730 106.3617 48.65002 -12.82917      60.83640 
1 1 1 -15 23 12 o 247.6861 22.83192 14.75206       2.630247  13.42086       2.872964  21.64685       6.538357  235.2619 26.41684 290.5161 49.62628 -55.25415      56.21937 
1 1 1 -15 23 13 o 352.1893 16.34497 29.39898       2.707881  30.63646       2.934811  22.31273       7.022961  359.3486 17.36181 292.8590 52.92712 66.48959       55.70200 
1 1 1 -15 23 14 o 220.1481 21.47833 11.66496       2.195924  11.66496       2.195924  0.000000       0.000000  220.1481 21.47833 ?        ?        0.000000       21.47833 
1 1 1 -15 23 15 o 103.0167 33.94713 2.500969       1.907644  1.785254       2.001746  9.580857       6.295815  94.09569 34.52444 190.0709 61.62223 -95.97520      70.63452 
1 1 1 -15 23 16 o 295.1158 18.26257 20.80192       2.522809  20.80192       2.522809  0.000000       0.000000  295.1158 18.26257 ?        ?        0.000000       18.26257 
1 1 1 -15 23 17 o 247.5738 24.23956 14.87159       2.786708  16.45333       3.285125  10.81273       5.262439  259.4863 27.32402 199.7357 54.49490 59.75064       60.96143 
1 1 1 -15 23 18 o 240.7110 28.83089 14.28234       3.199591  15.08923       3.642224  11.55470       6.696587  246.1486 32.23002 202.5684 63.30890 43.58022       71.04076 
1 1 1 -15 23 19 f 408.7511 20.56392 40.16762       3.941347  44.97519       4.581411  26.47741       7.731110  431.5963 22.64493 311.5777 54.74588 120.0186       59.24444 
1 1 1 -15 23 20 o 211.8015 29.38900 11.20450       2.849174  14.11238       3.605400  6.368382       4.649571  236.2699 33.36829 155.1362 53.02265 81.13371       62.64857 
1 1 1 -15 23 21 o 95.94081 38.11824 1.514183       2.571247  0.5426081      3.376938  2.854512       3.966346  97.29715 41.58921 120.5332 47.51539 -23.23607      63.14566 
1 1 1 -15 23 22 o 155.9664 39.78546 6.553463       2.928273  8.632414       3.713056  3.133175       4.762564  176.9082 44.62337 126.8652 51.36814 50.04295       68.04359 
1 1 1 -15 23 23 o 145.8779 41.54633 5.855503       2.988449  3.923900       5.911098  6.518734       3.463711  136.4003 56.45006 152.4399 45.12170 -16.03958      72.26740 
1 1 1 -15 23 24 f 194.0884 28.79955 9.667129       2.549633  12.53078       3.913124  7.554590       3.360981  213.5820 40.42890 163.2060 43.12885 50.37601       59.11509 
1 1 1 -15 23 25 o 218.3618 29.40335 12.36574       2.943471  13.95957       5.250500  11.63525       3.554568  211.5755 52.89675 205.4937 38.17753 6.081848       65.23488 
1 1 1 -15 25 1  o 174.0973 28.41946 7.419658       2.247120  7.018849       3.501827  7.700240       2.929919  166.6311 44.01815 175.5578 36.66178 -8.926666      57.28598 
1 1 1 -15 25 2  o 351.2762 15.46167 29.16049       2.554904  29.45080       3.504246  28.83105       3.732947  351.6515 21.28450 347.5638 22.96160 4.087769       31.30919 
1 1 1 -15 25 3  o 515.6891 19.51540 63.03205       4.734070  0.000000       0.000000  63.03205       4.734070  ?        ?        515.6891 19.51540 0.000000       19.51540 
1 1 1 -15 25 4  o 95.81617 32.00585 2.090314       1.693756  4.362351       2.023005  -3.236017      3.097443  132.1626 32.71522 73.66098 34.67928 58.50157       47.67534 
1 1 1 -15 25 5  o 264.8521 18.74488 16.70438       2.320283  18.53278       2.587062  9.185494       5.246249  278.8391 19.85316 189.1893 55.40038 89.64973       58.85023 
1 1 1 -15 25 6  o 435.1890 23.15091 45.19803       4.722267  37.99049       6.197883  55.17241       7.291100  395.6397 33.62084 477.6682 32.64425 -82.02847      46.86158 
1 1 1 -15 25 7  o 310.4026 17.15452 22.88335       2.495081  23.00942       2.723034  22.22355       6.229570  310.9767 18.70165 297.2478 46.04104 13.72891       49.69436 
1 1 1 -15 25 8  o 432.8560 36.04227 45.71939       7.272092  0.000000       0.000000  45.71939       7.272092  ?        ?        432.8560 36.04227 0.000000       36.04227 
1 1 1 -15 25 9  o 309.3409 19.94979 22.82151       2.887509  22.82151       2.887509  0.000000       0.000000  309.3409 19.94979 ?        ?        0.000000       19.94979 
1 1 1 -15 25 10 o 100.3934 37.07677 1.985316       2.314484  3.390502       2.509696  -6.007730      5.985637  119.3299 38.91863 101.2821 47.84195 18.04782       61.67262 
1 1 1 -15 25 11 o 105.0204 36.87363 2.419944       2.255159  2.802671       2.432664  0.8076695E-01  6.014072  111.2897 38.34087 126.3613 54.76847 -15.07156      66.85513 
1 1 1 -15 25 12 o 530.5002 15.78671 66.67384       3.939548  69.93222       4.473224  55.41023       8.316845  542.8557 17.51729 474.4021 37.57600 68.45352       41.45855 
1 1 1 -15 25 13 o 215.8760 26.32569 11.35119       2.617964  10.69700       2.878216  14.48573       6.300274  208.3360 30.25354 232.1018 57.89716 -23.76582      65.32501 
1 1 1 -15 25 14 o 100.3399 33.59997 2.340512       1.866725  2.879572       1.960543  -2.890904      6.107562  108.8339 34.29406 112.8402 51.55838 -4.006294      61.92212 
1 1 1 -15 25 15 o 229.9386 20.79891 12.72877       2.225333  12.00602       2.346907  19.16766       7.004989  222.7648 22.71426 265.8544 57.67265 -43.08952      61.98446 
1 1 1 -15 25 16 o 215.0300 23.10948 11.22444       2.300857  10.24729       2.445704  18.74852       6.786544  204.4958 26.01318 262.2490 56.66748 -57.75323      62.35294 
1 1 1 -15 25 17 o 218.9142 24.48145 11.69803       2.477877  14.92377       2.720779  -3.986326      5.999454  247.8485 23.62251 106.0712 49.39023 141.7773       54.74868 
1 1 1 -15 25 18 o 374.3878 17.67160 33.46693       3.112196  33.59609       3.384094  32.75863       7.924534  374.1051 19.29573 350.8199 49.38688 23.28522       53.02253 
1 1 1 -15 25 19 o 247.9176 37.60112 15.82711       4.247488  13.63555       5.119792  20.66588       7.607533  222.6140 50.10096 266.0677 61.94154 -43.45374      79.66718 
1 1 1 -15 25 20 o 127.7155 40.40474 4.248456       2.719371  8.024384       3.586733  -0.8565850     4.170488  171.5835 44.17448 97.76844 43.83014 73.81501       62.22914 
1 1 1 -15 25 21 o 115.0624 39.95963 3.292202       2.644970  4.695246       3.552811  1.547720       3.961592  133.7124 46.31941 109.3627 45.81374 24.34966       65.14896 
1 1 1 -15 25 22 o 223.7713 38.81814 13.42301       3.937951  13.42301       3.937951  0.000000       0.000000  223.7713 38.81814 ?        ?        0.000000       38.81814 
1 1 1 -15 27 1  o 818.6625 16.13869 158.5048       6.215018  161.4410       7.893583  153.7158       10.08105  824.8765 20.34304 802.3752 26.70907 22.50122       33.57401 
1 1 1 -15 27 2  o 488.6612 14.46633 56.41705       3.325335  60.44455       4.653733  52.21533       4.753316  504.8571 19.59583 468.8297 21.55322 36.02734       29.12968 
1 1 1 -15 27 3  o 269.8165 18.23101 17.32495       2.300347  18.67818       3.018736  15.45099       3.552386  279.2286 23.19232 251.9928 30.59589 27.23589       38.39261 
1 1 1 -15 27 4  o 301.7363 15.80547 21.59249       2.235585  21.45504       2.866395  21.80593       3.571974  299.9397 20.43755 301.2677 25.44297 -1.328003      32.63492 
1 1 1 -15 27 5  o 417.7661 14.84211 41.25932       2.916743  40.87619       3.234818  42.92509       6.745135  415.5650 16.54785 420.1701 34.42918 -4.605133      38.19947 
1 1 1 -15 27 6  o 215.4072 22.41026 11.15968       2.237543  11.32738       2.448926  10.31213       5.505408  216.5849 24.46577 198.8830 56.30284 17.70190       61.38879 
1 1 1 -15 27 7  o 69.15361 30.32129 -0.4009935     1.889290  1.197480       2.030835  -10.68371      5.150813  87.73996 34.17225 78.55653 38.75169 9.183426       51.66658 
1 1 1 -15 27 8  o 587.0521 33.29923 83.65042       9.157739  0.000000       0.000000  83.65042       9.157739  ?        ?        587.0521 33.29923 0.000000       33.29923 
1 1 1 -15 27 9  o 96.02328 34.39967 1.936594       1.971738  1.171449       2.101283  7.574317       5.703806  88.30537 34.65649 174.1623 58.73080 -85.85696      68.19370 
1 1 1 -15 27 10 o 643.1001 13.47568 97.78833       4.076604  99.84480       4.509116  88.58502       9.538998  649.4863 14.75884 602.9243 33.76921 46.56195       36.85353 
1 1 1 -15 27 11 f 126.3680 27.25491 3.983134       1.572505  4.033082       1.632542  3.341261       5.852332  127.0280 28.06872 142.8604 57.25834 -15.83235      63.76810 
1 1 1 -15 27 12 o 160.8695 46.46701 6.697367       3.713368  8.035078       4.583064  4.140904       6.335698  175.0265 51.92494 150.6863 59.84605 24.34018       79.23225 
1 1 1 -15 27 13 f 112.2562 38.18797 2.943522       2.411700  0.8244172      2.613019  15.12783       6.265659  91.52486 37.67086 236.0428 57.06017 -144.5179      68.37366 
1 1 1 -15 27 14 o 347.9086 20.13439 29.00953       3.281046  29.18014       3.660123  28.31154       7.403341  348.1428 22.46951 329.1223 49.33963 19.02045       54.21511 
1 1 1 -15 27 15 o 86.37410 35.03554 0.9057100      2.219745  0.9057100      2.219745  0.000000       0.000000  86.37410 35.03554 ?        ?        0.000000       35.03554 
1 1 1 -15 27 16 o 330.1368 18.16393 26.10612       2.809953  29.75426       3.092188  8.813912       6.732169  352.3171 18.72513 179.8154 63.65393 172.5017       66.35098 
1 1 1 -15 27 17 o 294.9087 20.75320 21.00923       2.860650  25.85695       3.264671  4.979192       5.936601  327.0712 21.33600 149.0120 58.31785 178.0592       62.09828 
1 1 1 -15 27 18 o 172.5433 36.99257 7.794580       2.912316  7.618279       3.437290  8.243164       5.482926  168.0093 43.23909 170.9732 57.58276 -2.963882      72.00968 
1 1 1 -15 27 19 o 307.8199 33.26466 24.09750       4.740106  35.99881       7.659122  16.70928       6.034642  365.7479 45.50072 240.8962 54.52472 124.8517       71.01592 
1 1 1 -15 29 1  o 156.8790 39.48052 6.233966       2.911246  7.129548       3.888829  5.092153       4.391006  167.1750 47.31778 148.1254 51.48394 19.04959       69.92545 
1 1 1 -15 29 2  o 138.8981 35.50200 4.854041       2.328423  4.260272       3.309197  5.436247       3.276816  134.0697 44.73675 147.2933 43.95367 -13.22362      62.71605 
1 1 1 -15 29 3  o 517.4242 19.36284 63.56636       4.712867  63.56636       4.712867  0.000000       0.000000  517.4242 19.36284 ?        ?        0.000000       19.36284 
1 1 1 -15 29 4  o 379.7870 14.97740 34.12268       2.675752  37.53630       3.594692  29.88117       4.006959  397.5867 19.22032 352.9433 24.28238 44.64337       30.96860 
1 1 1 -15 29 5  o 224.9860 29.68159 12.38096       3.064629  11.06971       3.696906  15.26159       5.479489  209.7333 38.90401 243.0522 49.60506 -33.31889      63.04112 
1 1 1 -15 29 6  o 71.20601 30.93569 -0.2405650     1.927857  -0.9061024     2.085072  3.680143       5.060776  68.82037 30.91218 140.0427 54.11002 -71.22237      62.31739 
1 1 1 -15 29 7  o 200.8320 23.84853 9.771852       2.208978  9.571669       2.459680  10.60642       5.022212  197.8976 27.13680 200.7356 52.56507 -2.837982      59.15651 
1 1 1 -15 29 8  o 350.3729 20.70916 29.35132       3.398041  29.35132       3.398041  0.000000       0.000000  350.3729 20.70916 ?        ?        0.000000       20.70916 
1 1 1 -15 29 9  o 56.21178 25.82294 -1.100434      1.560377  -1.794007      1.633447  6.135553       5.276038  53.06573 25.04377 159.4986 56.36288 -106.4328      61.67629 
1 1 1 -15 29 10 o 656.4628 13.69430 102.0153       4.228820  108.4439       4.811036  80.17242       8.868195  676.3533 15.12153 572.2659 33.08451 104.0874       36.37644 
1 1 1 -15 29 11 f 541.2986 14.27353 69.43465       3.634442  75.32944       4.097991  47.71106       7.866877  563.4424 15.46152 437.0356 38.66528 126.4068       41.64207 
1 1 1 -15 29 12 o 85.98778 33.35071 1.231965       1.928183  0.1806563      2.061788  8.564210       5.444993  76.98294 32.69080 178.6555 57.24342 -101.6726      65.92039 
1 1 1 -15 29 13 o 190.2253 38.18961 9.316878       3.298559  11.04637       4.344111  6.961951       5.069088  203.9872 46.32794 163.2782 55.36518 40.70903       72.19128 
1 1 1 -15 29 14 o 95.64786 43.17599 -1.422414      4.126599  -1.422414      4.126599  0.000000       0.000000  95.64786 43.17599 ?        ?        0.000000       43.17599 
1 1 1 -15 29 15 o 226.9848 35.61314 13.15315       3.677423  17.32462       5.202109  8.986326       5.199214  255.7740 44.87333 179.3440 55.74002 76.42998       71.55814 
1 1 1 -15 29 16 o 172.8295 44.97493 8.109173       3.691617  8.293698       5.143922  7.913200       5.301095  171.7690 55.70166 168.4218 56.62041 3.347153       79.42635 
1 1 1 -15 31 1  o 130.7937 40.45082 4.237659       2.741972  1.482559       3.336431  9.970274       4.812712  106.7925 43.08073 194.8264 51.66916 -88.03397      67.27296 
1 1 1 -15 31 2  f 259.0577 21.18458 16.09934       2.558995  15.44489       3.757699  16.66534       3.494542  250.3639 32.68671 261.4584 28.89604 -11.09451      43.62800 
1 1 1 -15 31 3  o 125.0525 35.48997 3.924833       2.184647  6.973372       3.122909  1.003134       3.057251  164.9396 40.53783 99.31327 40.79681 65.62635       57.51256 
1 1 1 -15 31 4  o 179.0093 26.71055 7.863306       2.180366  9.574034       2.481416  2.068371       4.567026  197.6731 27.42481 123.6199 50.21520 74.05325       57.21614 
1 1 1 -15 31 5  o 113.9973 39.68118 2.951849       2.608959  5.383721       3.138446  -2.487515      4.693733  145.3880 42.92814 98.86411 45.18262 46.52386       62.32411 
1 1 1 -15 31 6  f 293.1301 23.72979 20.72423       3.244004  27.77349       4.216989  10.50535       5.077295  338.5661 26.69483 198.3748 53.28022 140.1913       59.59359 
1 1 1 -15 31 7  o 107.5647 39.91711 2.348300       2.689093  3.941736       3.281213  -0.9111178     4.692853  129.1021 44.52559 106.2219 47.12753 22.88025       64.83466 
1 1 1 -15 31 8  o 79.81445 35.13567 -0.4996975     2.559253  -4.765161      3.131121  8.085613       4.442166  67.12292 32.46449 174.6047 50.93515 -107.4818      60.40143 
1 1 1 -15 31 9  o 406.3295 21.82554 39.67662       4.156419  64.71463       6.292813  20.30024       5.535810  517.7007 25.84026 280.9637 43.27439 236.7371       50.40230 
1 1 1 -15 31 10 o 69.00285 32.76203 -3.251678      2.876224  -3.142093      3.805174  -3.397741      4.393063  83.54499 39.04591 90.24315 42.10153 -6.698158      57.42057 
1 1 1 -15 31 11 o 293.4758 39.25571 21.96790       5.283523  0.000000       0.000000  21.96790       5.283523  ?        ?        293.4758 39.25571 0.000000       39.25571 
1 1 1 -14 0  2  o 51.55508 34.83243 -1.179507      2.471139  -1.179507      2.471139  -1.179507      2.471139  51.55508 34.83243 51.55508 34.83243 0.000000       0.000000 
1 1 1 -14 0  3  o 603.4876 18.29050 86.00354       5.181547  86.00354       5.181547  86.00354       5.181547  603.4876 18.29050 603.4876 18.29050 0.000000       0.000000 
1 1 1 -14 0  4  o 544.8711 15.29853 70.06005       3.914153  70.06005       3.914153  70.06005       3.914153  544.8711 15.29853 544.8711 15.29853 0.000000       0.000000 
1 1 1 -14 0  5  o 985.7534 16.73571 229.0320       7.755314  229.0320       7.755314  229.0320       7.755314  985.7534 16.73571 985.7534 16.73571 0.000000       0.000000 
1 1 1 -14 0  6  o 53.28058 30.71362 0.8340432      1.238940  0.8340432      1.238940  0.8340432      1.238940  53.28058 30.71362 53.28058 30.71362 0.000000       0.000000 
1 1 1 -14 0  7  o 82.64530 33.31835 2.239090       1.263292  2.239090       1.263292  2.239090       1.263292  82.64530 33.31835 82.64530 33.31835 0.000000       0.000000 
1 1 1 -14 0  8  o 204.8343 22.51699 10.24079       2.102787  10.24079       2.102787  10.24079       2.102787  204.8343 22.51699 204.8343 22.51699 0.000000       0.000000 
1 1 1 -14 0  9  o 1112.486 17.22157 291.5989       9.007452  291.5989       9.007452  291.5989       9.007452  1112.486 17.22157 1112.486 17.22157 0.000000       0.000000 
1 1 1 -14 0  10 o 826.0199 14.76371 160.7293       5.732476  160.7293       5.732476  160.7293       5.732476  826.0199 14.76371 826.0199 14.76371 0.000000       0.000000 
1 1 1 -14 0  11 o 1330.843 19.92307 417.2391       12.46617  417.2391       12.46617  417.2391       12.46617  1330.843 19.92307 1330.843 19.92307 0.000000       0.000000 
1 1 1 -14 0  12 o 433.1173 14.98569 44.30058       3.044887  44.30058       3.044887  44.30058       3.044887  433.1173 14.98569 433.1173 14.98569 0.000000       0.000000 
1 1 1 -14 0  13 o 94.86650 54.88278 2.620393       3.978207  2.620393       3.978207  2.620393       3.978207  94.86650 54.88278 94.86650 54.88278 0.000000       0.000000 
1 1 1 -14 0  14 o 161.0354 40.34126 7.149630       2.643433  7.149630       2.643433  7.149630       2.643433  161.0354 40.34126 161.0354 40.34126 0.000000       0.000000 
1 1 1 -14 0  15 o 438.9995 18.37918 45.60161       3.780291  45.60161       3.780291  45.60161       3.780291  438.9995 18.37918 438.9995 18.37918 0.000000       0.000000 
1 1 1 -14 0  16 o 655.9368 17.55922 101.4937       5.409190  101.4937       5.409190  101.4937       5.409190  655.9368 17.55922 655.9368 17.55922 0.000000       0.000000 
1 1 1 -14 0  17 o 1410.198 30.75308 469.6790       20.37848  469.6790       20.37848  469.6790       20.37848  1410.198 30.75308 1410.198 30.75308 0.000000       0.000000 
1 1 1 -14 0  18 o 907.6642 19.63849 194.2889       8.376129  194.2889       8.376129  194.2889       8.376129  907.6642 19.63849 907.6642 19.63849 0.000000       0.000000 
1 1 1 -14 0  19 o 164.7749 52.62546 8.122698       3.594640  8.122698       3.594640  8.122698       3.594640  164.7749 52.62546 164.7749 52.62546 0.000000       0.000000 
1 1 1 -14 0  20 o 216.4146 41.55958 12.22858       3.779726  12.22858       3.779726  12.22858       3.779726  216.4146 41.55958 216.4146 41.55958 0.000000       0.000000 
1 1 1 -14 0  21 o 214.1426 74.25313 14.34305       6.749150  14.34305       6.749150  14.34305       6.749150  214.1426 74.25313 214.1426 74.25313 0.000000       0.000000 
1 1 1 -14 0  22 o 542.2371 22.43853 69.75172       5.701106  69.75172       5.701106  69.75172       5.701106  542.2371 22.43853 542.2371 22.43853 0.000000       0.000000 
1 1 1 -14 0  23 f 79.22572 49.79255 0.8314336      3.884635  0.8314336      3.884635  0.8314336      3.884635  79.22572 49.79255 79.22572 49.79255 0.000000       0.000000 
1 1 1 -14 0  24 o 143.7076 67.37036 7.398930       5.102203  7.398930       5.102203  7.398930       5.102203  143.7076 67.37036 143.7076 67.37036 0.000000       0.000000 
1 1 1 -14 0  25 o 133.6809 73.03997 6.444709       6.544969  6.444709       6.544969  6.444709       6.544969  133.6809 73.03997 133.6809 73.03997 0.000000       0.000000 
1 1 1 -14 0  26 o 155.2093 62.80717 8.207200       4.484158  8.207200       4.484158  8.207200       4.484158  155.2093 62.80717 155.2093 62.80717 0.000000       0.000000 
1 1 1 -14 0  27 o 440.1895 42.74535 48.27587       8.659477  48.27587       8.659477  48.27587       8.659477  440.1895 42.74535 440.1895 42.74535 0.000000       0.000000 
1 1 1 -14 0  28 o 146.8018 63.53068 7.682227       4.523058  7.682227       4.523058  7.682227       4.523058  146.8018 63.53068 146.8018 63.53068 0.000000       0.000000 
1 1 1 -14 0  29 o 385.5162 30.67081 36.33081       5.481097  36.33081       5.481097  36.33081       5.481097  385.5162 30.67081 385.5162 30.67081 0.000000       0.000000 
1 1 1 -14 0  30 o 62.10103 43.51651 -4.470869      4.792046  -4.470869      4.792046  -4.470869      4.792046  62.10103 43.51651 62.10103 43.51651 0.000000       0.000000 
1 1 1 -14 0  31 o 380.6342 32.13617 35.76754       5.659654  35.76754       5.659654  35.76754       5.659654  380.6342 32.13617 380.6342 32.13617 0.000000       0.000000 
1 1 1 -14 0  32 o 68.90186 46.42382 -1.308079      4.332732  -1.308079      4.332732  -1.308079      4.332732  68.90186 46.42382 68.90186 46.42382 0.000000       0.000000 
1 1 1 -14 0  33 o 139.0208 75.26213 8.365043       6.889051  8.365043       6.889051  8.365043       6.889051  139.0208 75.26213 139.0208 75.26213 0.000000       0.000000 
1 1 1 -14 0  34 o 84.94370 56.21868 0.1912901      5.876606  0.1912901      5.876606  0.1912901      5.876606  84.94370 56.21868 84.94370 56.21868 0.000000       0.000000 
1 1 1 -14 0  35 o 72.41759 49.74202 -2.137931      5.499383  -2.137931      5.499383  -2.137931      5.499383  72.41759 49.74202 72.41759 49.74202 0.000000       0.000000 
1 1 1 -14 2  1  o 754.1508 11.79077 133.9247       4.182824  132.4019       8.261321  134.4497       4.850500  748.5643 23.46124 755.4781 13.64883 -6.913757      27.14260 
1 1 1 -14 2  2  o 1054.395 13.59213 261.9065       6.741556  255.7681       7.775160  280.4994       13.53189  1041.661 15.86769 1088.744 26.42184 -47.08325      30.82040 
1 1 1 -14 2  3  o 703.6880 13.29156 116.6596       4.399725  116.5496       5.918143  116.7955       6.578402  702.8823 17.89919 703.3764 19.88215 -0.4940796     26.75221 
1 1 1 -14 2  4  o 487.8175 11.40930 56.04424       2.618097  55.09135       3.785274  56.91816       3.625021  483.2903 16.65022 491.3159 15.68485 -8.025635      22.87453 
1 1 1 -14 2  5  o 598.3616 10.07915 84.30449       2.836985  90.30334       4.110576  78.84792       3.920383  618.9531 14.11808 578.3372 14.41047 40.61591       20.17379 
1 1 1 -14 2  6  o 638.8084 9.670728 96.08179       2.906023  96.22385       3.961768  95.91633       4.275630  638.9901 13.18031 637.8623 14.24964 1.127808       19.41064 
1 1 1 -14 2  7  o 915.3185 10.76578 197.3021       4.635397  203.7611       6.635374  191.1452       6.478330  929.6021 15.17396 900.3458 15.29623 29.25629       21.54585 
1 1 1 -14 2  8  f 859.2953 12.02764 173.9158       4.861744  176.4282       5.969301  168.9655       8.379100  865.1816 14.66719 845.7423 21.06153 19.43933       25.66544 
1 1 1 -14 2  9  o 167.2379 15.20099 6.644769       1.182788  6.284186       1.942654  6.857178       1.491003  160.9014 26.59566 169.4391 19.03606 -8.537720      32.70628 
1 1 1 -14 2  10 o 757.9298 10.18693 135.2061       3.631965  139.5284       5.267999  131.2903       5.014147  769.6741 14.55022 746.6261 14.27659 23.04803       20.38455 
1 1 1 -14 2  11 o 173.5683 15.59492 7.152831       1.259687  6.549448       1.769469  7.772859       1.793711  164.9722 23.46260 180.2681 21.58169 -15.29590      31.87888 
1 1 1 -14 2  12 o 920.9100 11.63657 199.6165       5.040941  216.1598       7.601315  186.6292       6.734981  957.9193 16.86905 890.1475 16.08441 67.77179       23.30821 
1 1 1 -14 2  13 o 454.2683 13.22838 48.58298       2.826757  53.41855       5.406822  46.76410       3.316048  475.1815 24.26969 445.5909 15.82032 29.59052       28.97068 
1 1 1 -14 2  14 o 159.1996 31.83929 6.207737       2.301076  10.28462       2.663055  -5.805589      4.571387  206.7570 28.10980 86.35673 41.08979 120.4003       49.78485 
1 1 1 -14 2  15 o 674.1169 12.09508 106.9855       3.835424  108.6605       5.575918  105.4812       5.284059  679.0225 17.45673 669.0648 16.78921 9.957764       24.22013 
1 1 1 -14 2  16 o 1271.246 14.85522 380.7152       8.883373  387.0955       12.72107  374.6424       12.41066  1280.799 21.11414 1260.063 20.93791 20.73633       29.73555 
1 1 1 -14 2  17 o 896.6514 13.33010 189.3785       5.622458  192.0053       8.164783  187.0095       7.753837  902.1245 19.24017 890.4129 18.51211 11.71155       26.69986 
1 1 1 -14 2  18 o 338.6152 18.28414 27.13372       2.901600  29.30156       4.338724  25.37963       3.902774  350.7915 26.48852 326.4681 25.61914 24.32339       36.85081 
1 1 1 -14 2  19 f 748.2645 17.52235 132.1534       6.167609  130.5368       7.367591  135.9394       11.27516  743.0906 21.07727 755.8920 31.70980 -12.80133      38.07575 
1 1 1 -14 2  20 o 241.8275 29.57457 14.12255       3.294181  9.857313       6.495352  15.59950       3.822211  199.2514 62.36319 253.6164 32.80716 -54.36502      70.46614 
1 1 1 -14 2  21 o 397.7402 17.89992 37.41851       3.349036  42.39174       4.774665  32.60216       4.698751  421.7031 24.17029 368.9281 27.26840 52.77502       36.43856 
1 1 1 -14 2  22 o 157.3186 37.14850 6.230772       2.705133  0.7536958      3.938617  11.12157       3.721851  109.0276 45.67740 210.8579 38.95827 -101.8303      60.03476 
1 1 1 -14 2  23 o 276.9368 24.36485 18.47295       3.141742  15.02004       4.469886  21.84430       4.416779  244.4193 40.28034 298.9652 31.89875 -54.54596      51.38128 
1 1 1 -14 2  24 o 472.5559 17.45629 53.07851       3.880381  63.19727       5.843507  45.09694       5.189839  513.1610 24.20754 432.2633 25.63776 80.89767       35.26045 
1 1 1 -14 2  25 o 105.0250 40.60096 2.005461       2.850427  -2.508039      4.117454  6.159273       3.949985  90.59486 41.73972 153.7178 48.70325 -63.12289      64.14211 
1 1 1 -14 2  26 o 340.0472 21.45869 27.94986       3.414904  31.47474       5.160001  25.20289       4.555163  355.7958 31.14408 318.3187 30.80626 37.47714       43.80615 
1 1 1 -14 2  27 o 241.6861 29.01877 14.62716       3.233176  5.209398       4.793271  22.48914       4.379496  143.5746 53.29069 298.7078 31.65009 -155.1332      61.98085 
1 1 1 -14 2  28 o 110.8494 44.82665 2.180676       3.621886  4.968727       4.328642  -4.328181      6.613840  138.1810 50.75845 106.6736 50.35861 31.50740       71.50112 
1 1 1 -14 2  29 o 130.0682 42.51745 4.583345       2.994669  0.4289675      4.447276  8.029772       4.050658  105.5149 46.38614 166.3804 48.66829 -60.86556      67.23300 
1 1 1 -14 2  30 o 191.4481 36.00822 9.860666       3.123788  8.651963       4.423267  11.06331       4.412162  168.9032 51.21800 193.5394 48.54712 -24.63625      70.56987 
1 1 1 -14 2  31 o 82.26970 38.47036 -2.157258      3.702055  -9.134959      7.102314  0.4458185      4.337976  93.87151 46.15072 101.6403 45.19232 -7.768768      64.59283 
1 1 1 -14 2  32 o 267.8136 34.60114 19.60791       4.257121  15.87693       7.951485  21.10707       5.040358  192.5331 69.06896 271.0204 40.80070 -78.48730      80.21982 
1 1 1 -14 2  33 o 274.1300 35.31284 21.19829       4.447760  20.94828       7.932878  21.31292       5.371455  215.8350 69.08780 261.9467 45.22719 -46.11163      82.57495 
1 1 1 -14 2  34 o 227.9318 46.80828 17.35589       4.850755  18.24911       6.809710  16.43579       6.911428  198.8274 64.04900 183.5919 64.54710 15.23549       90.93186 
1 1 1 -14 2  35 o 141.8758 57.08670 10.40725       5.842180  10.40725       5.842180  0.000000       0.000000  141.8758 57.08670 ?        ?        0.000000       57.08670 
1 1 1 -14 4  1  o 680.2334 13.18734 109.0175       4.219729  108.7396       7.487067  109.1468       5.108345  678.1143 23.47143 680.3672 15.96127 -2.252930      28.38433 
1 1 1 -14 4  2  o 390.3411 13.45338 35.90244       2.470273  31.89319       3.170877  42.09275       3.940070  367.6127 18.33664 422.2010 19.83880 -54.58838      27.01500 
1 1 1 -14 4  3  f 413.3427 11.85477 40.24398       2.305010  38.90142       3.028422  42.09275       3.553800  406.1537 15.85100 422.3329 17.88829 -16.17923      23.90073 
1 1 1 -14 4  4  o 250.9684 13.72278 14.88855       1.613920  13.65403       2.666887  15.60194       2.027293  239.0082 24.04687 256.6065 16.88938 -17.59836      29.38542 
1 1 1 -14 4  5  o 507.9132 10.17315 60.74508       2.430604  52.29771       3.034272  75.87271       4.060499  471.0592 13.69335 567.2470 15.21731 -96.18784      20.47131 
1 1 1 -14 4  6  o 379.2204 9.874382 33.85835       1.761452  32.22059       2.269372  36.34034       2.793716  369.7945 13.04595 392.6044 15.12717 -22.80991      19.97569 
1 1 1 -14 4  7  o 1194.093 14.94955 336.0806       8.397220  332.8634       9.867153  344.5304       15.99102  1187.863 17.65860 1205.725 28.19411 -17.86255      33.26762 
1 1 1 -14 4  8  o 521.1971 9.204303 63.93593       2.256640  64.72723       3.041789  62.96729       3.365439  524.2676 12.33408 517.0078 13.83806 7.259888       18.53703 
1 1 1 -14 4  9  o 363.2344 11.63372 31.06063       1.987810  35.31511       3.213253  28.42302       2.530039  387.0830 17.64703 347.3472 15.48439 39.73578       23.47730 
1 1 1 -14 4  10 o 1605.237 16.08137 606.9858       12.14315  592.2729       16.64186  623.7393       17.75850  1584.546 22.32686 1625.900 23.21898 -41.35352      32.21195 
1 1 1 -14 4  11 o 862.3609 11.09212 175.0282       4.499589  186.1619       6.624869  165.4939       6.130597  889.0567 15.84085 838.2737 15.54704 50.78302       22.19556 
1 1 1 -14 4  12 o 659.3911 12.65677 102.3523       3.925864  101.6647       6.612453  102.7266       4.878784  656.6495 21.40719 660.4432 15.70388 -3.793701      26.54957 
1 1 1 -14 4  13 o 690.4542 12.77526 112.2281       4.149291  106.7777       6.871730  115.3557       5.205349  672.9054 21.70915 699.8405 15.81181 -26.93512      26.85703 
1 1 1 -14 4  14 o 875.4485 14.43209 180.4876       5.943322  182.7734       7.090789  175.0892       10.89715  880.7494 17.11484 860.9160 26.90808 19.83337       31.88986 
1 1 1 -14 4  15 o 1174.948 14.02018 325.1247       7.748924  344.0197       11.57496  309.7791       10.43132  1207.722 20.37433 1146.200 19.34681 61.52112       28.09648 
1 1 1 -14 4  16 f 846.7952 14.28935 168.9145       5.691939  170.0873       7.370781  167.1819       8.958847  849.2926 18.44960 841.4619 22.63333 7.830688       29.20026 
1 1 1 -14 4  17 o 775.4016 13.10329 141.6243       4.779433  142.8025       6.936049  140.5591       6.595109  777.9898 18.95261 771.9526 18.16193 6.037231       26.24990 
1 1 1 -14 4  18 o 168.2423 32.32272 6.948575       2.465110  3.920928       4.442143  8.295857       2.963255  140.6658 51.45763 183.6058 35.59433 -42.94000      62.56872 
1 1 1 -14 4  19 o 409.2698 15.71856 39.51383       3.026159  41.20979       4.609608  38.22930       4.011690  416.5276 23.62340 401.5065 21.31691 15.02115       31.81942 
1 1 1 -14 4  20 o 503.0685 15.37257 59.73257       3.637835  60.23822       5.450284  59.32631       4.885311  504.1081 22.98403 500.6383 20.74430 3.469788       30.96113 
1 1 1 -14 4  21 o 613.9300 14.66744 89.00674       4.235869  89.39518       6.108469  88.64693       5.878966  613.9401 21.15130 611.5341 20.43671 2.406006       29.41150 
1 1 1 -14 4  22 o 118.4415 44.59535 2.667523       3.380256  -0.7314157E-01 3.851431  11.85791       7.052790  102.2797 44.07973 212.2893 64.74129 -110.0096      78.32277 
1 1 1 -14 4  23 o 212.8156 33.12535 11.22727       3.208271  13.17540       4.381078  8.974436       4.711252  227.5671 42.48890 185.1727 51.96602 42.39442       67.12506 
1 1 1 -14 4  24 o 313.1363 22.35025 23.59093       3.270567  27.98737       5.076002  20.47020       4.276613  337.2451 32.39544 288.1206 32.09982 49.12442       45.60552 
1 1 1 -14 4  25 o 127.4639 43.82113 3.934443       3.176983  2.843044       5.655818  4.437558       3.840053  135.3885 55.53786 135.8654 48.07693 -0.4768372     73.45642 
1 1 1 -14 4  26 o 273.0934 27.92532 18.43722       3.536927  39.35791       7.653563  12.75606       3.988356  389.0354 42.51408 221.0845 39.81440 167.9509       58.24632 
1 1 1 -14 4  27 o 293.3316 24.22633 21.11496       3.312927  23.54578       5.005116  19.21954       4.419682  302.7386 35.84190 273.6549 35.14580 29.08374       50.19829 
1 1 1 -14 4  28 o 183.4080 37.34464 8.948359       3.112435  1.148496       4.503497  16.08047       4.306409  111.2206 47.79689 246.6600 38.36139 -135.4395      61.28734 
1 1 1 -14 4  29 o 134.8416 43.57935 4.997282       3.150623  4.469452       4.285226  5.618311       4.648180  132.1787 50.10685 142.7438 52.57378 -10.56503      72.62712 
1 1 1 -14 4  30 o 130.7261 42.99474 4.760003       3.060549  -0.7929720     4.422592  9.863286       4.239736  97.55300 44.30128 182.1887 48.58107 -84.63569      65.74742 
1 1 1 -14 4  31 o 141.6620 46.69335 6.000489       3.609038  6.349585       6.092889  5.811801       4.479432  144.1342 58.19191 139.0660 51.53650 5.068146       77.73228 
1 1 1 -14 4  32 o 73.23262 35.14477 -3.455245      3.501267  1.874554       6.387157  -5.744818      4.186291  118.0154 53.45345 73.77940 36.09806 44.23597       64.50070 
1 1 1 -14 4  33 o 75.26454 36.01096 -2.908225      3.614662  -0.9066588     6.160324  -3.959191      4.463882  102.6702 48.50904 80.37102 38.84465 22.29917       62.14527 
1 1 1 -14 4  34 o 86.98926 42.34929 -3.778240      5.557662  -3.778240      5.557662  0.000000       0.000000  86.98926 42.34929 ?        ?        0.000000       42.34929 
1 1 1 -14 4  35 o 175.7726 58.44779 14.80975       5.650256  14.80975       5.650256  0.000000       0.000000  175.7726 58.44779 ?        ?        0.000000       58.44779 
1 1 1 -14 6  1  o 378.8686 12.99623 33.81889       2.316196  33.30858       3.966686  34.08289       2.853102  374.6787 22.61202 380.1798 15.95361 -5.501129      27.67347 
1 1 1 -14 6  2  o 491.9896 11.28100 57.00485       2.610795  50.91267       4.086750  61.20562       3.393567  464.4334 18.70619 509.6062 14.15638 -45.17282      23.45900 
1 1 1 -14 6  3  o 549.4749 12.85890 71.12922       3.323694  62.17811       4.719821  79.93461       4.681244  513.1873 19.55151 582.1274 17.09519 -68.94019      25.97127 
1 1 1 -14 6  4  o 653.2575 10.48164 100.4766       3.220943  98.70367       3.925102  104.1320       5.635933  647.2939 12.89081 664.3498 18.03432 -17.05591      22.16776 
1 1 1 -14 6  5  o 705.9477 14.92897 117.4507       4.957603  117.4507       4.957603  0.000000       0.000000  705.9477 14.92897 ?        ?        0.000000       14.92897 
1 1 1 -14 6  6  o 511.3819 10.62984 61.56447       2.557062  59.41505       3.084246  66.29014       4.573188  502.2581 13.05428 530.1638 18.33748 -27.90567      22.50949 
1 1 1 -14 6  7  o 688.6020 15.37748 111.7105       4.981072  118.4305       6.275463  100.2675       8.189052  708.7190 18.82359 651.2941 26.72927 57.42487       32.69222 
1 1 1 -14 6  8  o 386.8810 9.805247 35.22466       1.784454  33.37115       2.177563  39.01411       3.113589  376.5020 12.29516 406.9524 16.26478 -30.45044      20.38907 
1 1 1 -14 6  9  o 1057.449 14.06680 263.2865       6.997196  274.0488       12.14410  257.9380       8.561121  1077.736 23.95432 1046.353 17.39335 31.38293       29.60301 
1 1 1 -14 6  10 o 798.5505 12.53244 150.1054       4.707685  153.5375       7.989962  148.2804       5.826434  807.0329 21.04671 793.5038 15.60934 13.52905       26.20334 
1 1 1 -14 6  11 o 1214.302 13.33887 347.1278       7.619302  351.9349       10.85194  342.4542       10.70030  1222.122 18.87658 1205.549 18.86869 16.57263       26.68994 
1 1 1 -14 6  12 o 705.1645 12.51287 117.0525       4.150656  111.8312       6.801099  120.1514       5.239559  688.7395 20.99205 714.2741 15.59411 -25.53461      26.15038 
1 1 1 -14 6  13 o 435.2373 11.19214 44.58655       2.291440  42.03954       3.287868  46.99215       3.195285  422.4430 16.54539 446.6885 15.20672 -24.24548      22.47207 
1 1 1 -14 6  14 o 448.3230 11.74861 47.31522       2.477689  50.75085       3.708303  44.54465       3.330092  464.0936 16.98636 434.8245 16.28070 29.26913       23.52865 
1 1 1 -14 6  15 o 630.4544 17.24979 93.68272       5.115719  93.68272       5.115719  0.000000       0.000000  630.4544 17.24979 ?        ?        0.000000       17.24979 
1 1 1 -14 6  16 o 157.9265 27.26024 6.066846       1.951943  6.296728       3.310141  5.944295       2.416869  159.7513 43.06822 155.2865 34.02656 4.464874       54.88787 
1 1 1 -14 6  17 o 679.5651 12.85437 108.7834       4.109143  113.7648       6.186837  104.8514       5.496615  694.3320 18.94228 666.7353 17.52559 27.59674       25.80612 
1 1 1 -14 6  18 o 321.4322 17.38638 24.45090       2.619087  29.16892       4.191744  21.42937       3.354499  349.9968 25.63859 299.9719 23.97293 50.02493       35.10041 
1 1 1 -14 6  19 o 705.0375 16.15047 117.3130       5.356321  132.2236       11.72847  113.3836       6.020883  744.3267 33.49719 692.7648 18.47588 51.56189       38.25467 
1 1 1 -14 6  20 o 309.8518 18.59708 22.78868       2.698076  27.59134       4.365612  19.82055       3.431990  339.3267 27.58891 287.6546 25.63184 51.67209       37.65819 
1 1 1 -14 6  21 o 634.3934 14.66623 95.07475       4.376697  89.75915       6.238391  100.2272       6.141906  614.8383 21.56962 650.1103 20.08384 -35.27203      29.47218 
1 1 1 -14 6  22 o 335.8771 31.56741 27.42866       4.929048  0.000000       0.000000  27.42866       4.929048  ?        ?        335.8771 31.56741 0.000000       31.56741 
1 1 1 -14 6  23 o 604.0145 15.60138 86.46584       4.432816  87.67615       6.613450  85.47851       5.973221  605.4396 23.22138 598.6304 21.21195 6.809204       31.45122 
1 1 1 -14 6  24 o 217.3655 29.46420 11.66851       2.935044  15.54655       4.519344  8.839782       3.859804  246.9076 40.30149 183.4420 45.05673 63.46558       60.45097 
1 1 1 -14 6  25 o 100.6219 38.95428 1.831302       2.626797  -0.6293512     4.076353  3.578691       3.435116  99.36466 44.01189 124.9269 45.31881 -25.56227      63.17310 
1 1 1 -14 6  26 o 294.3318 23.47513 21.12300       3.223198  20.75842       4.856091  21.41010       4.309317  284.4636 37.17989 292.0962 31.88037 -7.632568      48.97655 
1 1 1 -14 6  27 o 268.2335 25.11291 17.74957       3.131806  19.06408       4.624004  16.63553       4.256828  270.8938 37.27424 253.0861 36.83677 17.80769       52.40531 
1 1 1 -14 6  28 o 370.2452 22.85058 33.58778       3.960302  32.65899       5.254032  34.80975       6.026528  358.7679 31.44962 367.0282 35.34277 -8.260254      47.30951 
1 1 1 -14 6  29 o 194.2078 40.77360 10.35220       3.606268  12.45982       4.099989  3.148038       7.580153  212.2811 42.54039 138.8559 60.81263 73.42519       74.21497 
1 1 1 -14 6  30 o 149.9786 42.43161 6.418233       3.127872  6.417361       4.423291  6.419105       4.423668  146.8579 51.63725 146.8736 51.63963 -0.1567078E-01 73.02778 
1 1 1 -14 6  31 o 154.2796 45.86373 7.186396       3.572831  8.986326       6.410829  6.375474       4.303043  160.1586 61.14890 143.5429 50.88213 16.61569       79.54985 
1 1 1 -14 6  32 o 260.5728 32.85053 18.43177       3.937134  30.79667       8.006123  14.48773       4.521658  298.2700 59.15067 217.7679 45.60207 80.50211       74.68836 
1 1 1 -14 6  33 f 167.9054 45.41950 9.178069       3.674102  0.5338883      5.891765  14.67862       4.699880  105.4955 49.06299 210.7659 48.42214 -105.2704      68.93389 
1 1 1 -14 6  34 o 158.0538 49.68297 9.358289       4.117523  7.223544       5.458819  12.17598       6.271516  130.9149 54.21920 157.8055 60.42580 -26.89066      81.18497 
1 1 1 -14 8  1  o 923.2531 12.36738 200.7082       5.371155  194.1978       7.968432  206.1293       7.271270  907.5098 18.66604 935.2291 16.52810 -27.71924      24.93189 
1 1 1 -14 8  2  o 689.6696 10.93456 111.9678       3.547411  113.7167       5.597295  110.7937       4.586065  694.6033 17.13058 685.8419 14.21500 8.761475       22.26035 
1 1 1 -14 8  3  o 356.4359 11.79884 29.90987       1.978291  28.82188       2.708835  31.15339       2.895985  349.7360 16.46542 363.5874 16.93239 -13.85138      23.61813 
1 1 1 -14 8  4  o 646.0266 10.80033 98.23430       3.282138  99.08281       4.076525  96.67064       5.533904  648.6829 13.35944 640.4138 18.36968 8.269043       22.71387 
1 1 1 -14 8  5  o 785.3010 10.79329 145.1468       3.987119  142.4104       4.655649  152.6754       7.722406  777.7599 12.72522 804.7050 20.40077 -26.94507      24.04418 
1 1 1 -14 8  6  o 446.0268 18.49171 46.87749       3.879782  47.91915       4.410188  43.31154       8.159880  450.8448 20.79509 425.2139 41.31668 25.63092       46.25478 
1 1 1 -14 8  7  o 919.1436 13.66089 198.8927       5.906518  190.3937       6.363898  251.7242       15.86669  899.2000 15.04519 1031.724 32.69291 -132.5239      35.98866 
1 1 1 -14 8  8  o 944.1288 11.72562 209.7941       5.207584  210.8013       6.870694  208.4343       7.983144  946.1597 15.43714 940.6326 18.04200 5.527100       23.74487 
1 1 1 -14 8  9  o 689.2855 10.54440 111.8071       3.418931  117.9090       4.550246  103.8958       5.181157  707.7161 13.66805 664.1907 16.58306 43.52539       21.48985 
1 1 1 -14 8  10 o 1131.247 15.08365 301.3266       8.026632  319.5601       14.25264  292.8578       9.713446  1163.691 26.03684 1114.923 18.52078 48.76868       31.95210 
1 1 1 -14 8  11 o 954.2142 13.87317 214.3687       6.227171  211.1772       10.00391  216.3876       7.956615  946.3240 22.47298 958.4037 17.64861 -12.07977      28.57461 
1 1 1 -14 8  12 o 131.6068 23.56084 4.209675       1.405047  4.476800       2.081841  3.986214       1.904107  134.8914 33.06510 127.3487 31.86354 7.542732       45.91934 
1 1 1 -14 8  13 o 507.0437 11.25769 60.51557       2.685123  66.58356       4.050881  55.76006       3.586126  531.6370 16.19814 486.5367 15.66897 45.10025       22.53656 
1 1 1 -14 8  14 f 1361.132 15.04999 436.4232       9.636198  443.7563       13.79850  429.4425       13.46298  1371.445 21.38869 1349.179 21.21301 22.26575       30.12420 
1 1 1 -14 8  15 o 637.6280 17.64324 95.85311       5.291942  95.85311       5.291942  0.000000       0.000000  637.6280 17.64324 ?        ?        0.000000       17.64324 
1 1 1 -14 8  16 o 709.1041 12.45052 118.4259       4.153047  119.3204       6.158834  117.6801       5.624112  711.2070 18.40912 706.4629 16.92370 4.744141       25.00615 
1 1 1 -14 8  17 o 407.3427 14.04024 39.10472       2.690319  37.85579       4.249952  39.93985       3.475268  399.5038 22.70862 411.4076 17.95753 -11.90381      28.95090 
1 1 1 -14 8  18 o 333.4611 16.10936 26.23604       2.526928  26.63408       4.114465  25.99499       3.201952  334.0826 26.39625 330.9548 20.67076 3.127808       33.52674 
1 1 1 -14 8  19 o 241.7377 23.24875 13.97995       2.611103  10.76397       5.036110  15.16229       3.053592  205.9106 51.98546 251.2918 26.21839 -45.38121      58.22278 
1 1 1 -14 8  20 o 808.6489 14.00273 154.3622       5.326500  155.2465       7.913027  153.6296       7.202610  809.1929 20.78841 805.4948 19.00894 3.698120       28.16909 
1 1 1 -14 8  21 o 359.9900 17.38103 30.69260       2.943305  34.72139       4.886308  28.39840       3.687306  379.9726 27.52404 344.6751 22.87198 35.29749       35.78687 
1 1 1 -14 8  22 o 253.0170 22.77052 15.39495       2.681110  18.15403       4.463642  13.83766       3.353450  270.8378 35.92201 237.6018 30.72312 33.23599       47.26839 
1 1 1 -14 8  23 o 374.1187 24.62308 33.74207       4.309107  35.00225       5.077856  30.49941       8.145409  379.4551 28.65932 341.5282 52.37198 37.92688       59.70076 
1 1 1 -14 8  24 o 172.9560 35.27073 7.634352       2.772323  3.699857       4.676037  9.766975       3.442631  134.8653 52.03963 194.7717 38.93579 -59.90640      64.99323 
1 1 1 -14 8  25 o 438.5823 20.00136 46.14700       4.126482  47.20571       7.959312  45.75783       4.825675  429.8865 39.81171 434.4218 23.70399 -4.535370      46.33413 
1 1 1 -14 8  26 o 142.3801 41.97042 5.398391       3.002167  16.93817       6.359050  2.088613       3.405594  242.7255 56.71545 109.6296 43.77047 133.0959       71.64145 
1 1 1 -14 8  27 o 510.5780 17.58206 62.57987       4.222807  64.64061       6.227450  60.82574       5.745521  512.3061 25.92551 498.6508 24.49422 13.65530       35.66649 
1 1 1 -14 8  28 o 322.3268 22.71338 25.48828       3.421848  25.83281       4.922672  25.16617       4.759881  317.0457 33.51536 313.4774 32.76312 3.568237       46.86898 
1 1 1 -14 8  29 o 155.4361 39.63825 6.666625       2.907259  5.260263       4.313589  7.837174       3.935364  138.3834 50.69471 164.0301 47.96777 -25.64668      69.79155 
1 1 1 -14 8  30 o 151.7864 42.01483 6.592365       3.101921  7.830857       4.649633  5.599076       4.163993  158.6710 53.02885 138.8445 49.96370 19.82646       72.85898 
1 1 1 -14 8  31 o 96.74854 40.92681 1.372123       3.211775  2.628122       5.724356  0.7950777      3.880047  120.6404 52.84060 98.74035 43.36942 21.90002       68.35960 
1 1 1 -14 8  32 o 106.3736 45.65438 2.170204       4.099239  0.000000       0.000000  2.170204       4.099239  ?        ?        106.3736 45.65438 0.000000       45.65438 
1 1 1 -14 8  33 o 167.0347 50.98605 10.02869       4.372790  14.53329       6.297762  5.835316       6.076301  183.3553 61.71358 127.7354 55.20758 55.61993       82.80364 
1 1 1 -14 8  34 f 107.3624 44.21609 3.628347       3.602604  5.603449       4.624974  0.5808562      5.744944  120.9866 49.99058 99.28959 46.89146 21.69705       68.54099 
1 1 1 -14 10 1  o 549.8052 11.03985 71.13745       2.855231  74.51016       4.789991  69.27860       3.556046  562.4237 18.10513 542.4849 13.93511 19.93878       22.84695 
1 1 1 -14 10 2  o 856.9524 11.52435 172.8286       4.645607  177.9861       7.160809  169.0803       6.104625  869.3004 17.51148 847.4123 15.31422 21.88812       23.26322 
1 1 1 -14 10 3  o 553.5975 10.31633 72.11661       2.686510  64.77876       3.756094  79.80206       3.844028  524.5301 15.22288 582.2306 14.03532 -57.70050      20.70570 
1 1 1 -14 10 4  o 470.3347 11.08532 52.05856       2.452587  50.68209       3.043574  54.60762       4.141804  464.0008 13.94427 481.4843 18.28682 -17.48358      22.99675 
1 1 1 -14 10 5  o 287.6699 12.14737 19.47649       1.643788  19.42365       1.967347  19.59869       2.991773  286.8647 14.62781 287.4901 22.29704 -0.6253662     26.66703 
1 1 1 -14 10 6  o 270.3177 14.49576 17.25176       1.836532  17.25176       1.836532  0.000000       0.000000  270.3177 14.49576 ?        ?        0.000000       14.49576 
1 1 1 -14 10 7  o 1224.771 13.99421 353.1243       8.062551  360.9513       10.85541  343.4945       12.04085  1237.852 18.64267 1207.274 21.20226 30.57813       28.23269 
1 1 1 -14 10 8  o 193.3471 15.62894 8.859763       1.409312  9.428092       1.557670  6.295362       3.308788  199.3822 16.76367 160.2065 43.00415 39.17575       46.15601 
1 1 1 -14 10 9  o 924.1266 12.01690 201.0036       5.223879  205.2486       6.820053  194.9777       8.125624  933.6169 15.52922 909.6967 18.98851 23.92029       24.52999 
1 1 1 -14 10 10 o 518.6031 14.38816 63.32460       3.510021  62.06897       5.121180  64.43703       4.820309  513.1150 21.21710 522.9004 19.59686 -9.785400      28.88256 
1 1 1 -14 10 11 o 884.3688 11.79111 184.0952       4.905208  184.5089       6.654848  183.6030       7.258406  885.0751 15.98412 882.7768 17.47918 2.298340       23.68573 
1 1 1 -14 10 12 o 913.0142 12.13600 196.2381       5.212218  196.2040       7.110105  196.2778       7.663322  912.5823 16.56283 912.6312 17.85059 -0.4882813E-01 24.35099 
1 1 1 -14 10 13 o 208.4443 20.24954 10.34343       1.960464  9.577885       3.390250  10.72802       2.402974  197.6206 37.84774 211.7329 24.58390 -14.11229      45.13113 
1 1 1 -14 10 14 o 1016.710 14.37035 243.5057       6.872800  246.6521       8.898026  238.8526       10.82090  1022.736 18.49527 1005.752 22.87195 16.98425       29.41430 
1 1 1 -14 10 15 o 225.0234 17.86935 12.01684       1.875928  15.54404       3.185589  10.14434       2.321059  254.8823 26.97947 205.7228 24.46437 49.15950       36.41974 
1 1 1 -14 10 16 o 705.3466 16.00369 117.3137       5.309969  120.2192       6.214328  109.4530       10.22136  713.7220 18.50955 678.7238 32.01445 34.99817       36.98011 
1 1 1 -14 10 17 o 302.9005 15.66615 21.69941       2.224555  20.79245       3.709746  22.20864       2.779785  294.8469 27.04875 305.9965 19.41244 -11.14960      33.29381 
1 1 1 -14 10 18 o 353.5630 16.83031 29.52150       2.799163  26.96493       5.804727  30.29613       3.195211  333.2153 37.69587 357.4656 19.07076 -24.25024      42.24538 
1 1 1 -14 10 19 o 74.03249 31.01457 0.2400793      1.815671  -1.170897      3.429893  0.7894160      2.140129  90.10466 40.11679 85.28165 34.46819 4.823013       52.89058 
1 1 1 -14 10 20 o 228.7084 23.79076 12.58292       2.522066  15.73722       5.698258  11.81446       2.812553  247.9307 50.57222 220.6516 27.70824 27.27917       57.66538 
1 1 1 -14 10 21 o 489.9686 16.15785 56.85259       3.724098  57.35089       5.466178  56.42094       5.087525  490.1870 23.70569 486.6260 22.22501 3.561005       32.49478 
1 1 1 -14 10 22 f 280.4140 20.28690 18.83025       2.657923  17.21361       4.302642  19.82787       3.379945  263.1554 35.67778 286.3798 25.35183 -23.22437      43.76779 
1 1 1 -14 10 23 o 311.0030 19.70605 23.17570       2.868027  28.04052       5.098431  20.92363       3.468928  337.1346 32.55366 293.6558 25.36121 43.47876       41.26659 
1 1 1 -14 10 24 o 455.7500 18.49457 49.61755       3.964972  54.28062       8.664274  48.38234       4.459302  462.2127 40.25113 448.9938 21.11336 13.21893       45.45248 
1 1 1 -14 10 25 o 240.6116 24.72692 14.19433       2.758883  11.70716       4.604764  15.58709       3.445817  207.1350 48.16966 250.0010 29.89379 -42.86606      56.69175 
1 1 1 -14 10 26 o 295.1341 22.21227 21.21229       3.061156  19.22504       4.862818  22.51668       3.939719  271.4278 39.22368 301.0826 28.14342 -29.65472      48.27576 
1 1 1 -14 10 27 o 91.35577 38.37767 0.7827273      2.792635  -0.4872177     4.260956  1.739001       3.697479  100.0380 44.61355 108.4847 44.75006 -8.446648      63.18969 
1 1 1 -14 10 28 o 330.0445 21.82935 26.66293       3.369946  24.27309       5.009121  28.63896       4.554848  305.2816 35.54679 337.1881 28.99868 -31.90652      45.87481 
1 1 1 -14 10 29 o 200.6841 33.60672 10.61547       3.060374  3.072024       4.426689  17.52194       4.235671  120.9809 49.32349 256.8983 36.04210 -135.9174      61.08878 
1 1 1 -14 10 30 o 182.9504 53.75722 10.68785       4.932162  8.703924       6.609525  13.18074       7.408998  160.3723 61.87334 187.8634 66.74769 -27.49118      91.01409 
1 1 1 -14 10 31 o 208.2826 37.93436 12.21148       3.579747  15.13377       6.414685  10.88980       4.313967  202.9519 61.70966 186.0411 48.71820 16.91077       78.62281 
1 1 1 -14 10 32 o 95.99936 41.01321 1.554387       3.280977  4.982164       5.710668  -0.1346091     4.008621  127.0590 54.19112 91.84225 41.88856 35.21674       68.49328 
1 1 1 -14 12 1  o 256.6263 14.54233 15.55221       1.748298  12.51583       3.322644  16.71472       2.055914  228.0486 31.84186 265.9277 16.51675 -37.87907      35.87070 
1 1 1 -14 12 2  o 524.1782 11.05593 64.65587       2.726110  65.35290       4.312121  64.19183       3.518435  526.8073 17.40083 522.2078 14.32309 4.599426       22.53752 
1 1 1 -14 12 3  o 429.0557 10.97180 43.31894       2.214424  44.43951       3.345473  42.44514       2.954230  434.4401 16.37036 424.6220 14.79015 9.818146       22.06212 
1 1 1 -14 12 4  o 503.6131 11.11485 59.68363       2.633114  63.55648       3.323203  53.15101       4.316038  519.6300 13.59544 475.0082 19.31590 44.62183       23.62075 
1 1 1 -14 12 5  f 433.5318 13.36814 44.23977       2.726223  44.23977       2.726223  0.000000       0.000000  433.5318 13.36814 ?        ?        0.000000       13.36814 
1 1 1 -14 12 6  o 759.2239 11.29078 135.6519       4.032396  138.3613       4.752352  128.6861       7.619988  766.6898 13.17709 738.8926 21.92319 27.79718       25.57854 
1 1 1 -14 12 7  o 1073.325 12.56459 271.1586       6.343794  267.2434       7.170814  285.2557       13.60686  1065.432 14.30782 1099.497 26.30842 -34.06519      29.94740 
1 1 1 -14 12 8  o 355.3063 12.31390 29.71477       2.058107  30.25624       2.341365  27.87430       4.316641  358.4923 13.88417 342.5830 27.00516 15.90933       30.36525 
1 1 1 -14 12 9  o 1289.820 14.70533 391.7385       8.922227  391.4074       11.60015  392.2180       13.96124  1288.762 19.13470 1289.537 23.01551 -0.7749023     29.93076 
1 1 1 -14 12 10 o 1255.962 22.05703 372.0508       13.03146  0.000000       0.000000  372.0508       13.03146  ?        ?        1255.962 22.05703 0.000000       22.05703 
1 1 1 -14 12 11 o 1154.819 16.57616 314.2045       9.004653  301.7242       13.86369  323.3115       11.84278  1130.223 26.07625 1170.750 21.50405 -40.52637      33.79933 
1 1 1 -14 12 12 o 458.2276 12.44420 49.43850       2.682363  53.09971       3.496263  44.20011       4.182059  474.7443 15.65579 432.8739 20.53806 41.87039       25.82471 
1 1 1 -14 12 13 f 359.0385 13.34780 30.36115       2.254344  29.94792       2.991196  30.90446       3.429886  355.9432 17.92209 361.3505 20.25987 -5.407257      27.04928 
1 1 1 -14 12 14 f 1120.680 13.87394 295.8927       7.313930  292.4011       10.01945  299.8754       10.70108  1113.204 19.13375 1127.139 20.18276 -13.93530      27.81086 
1 1 1 -14 12 15 o 258.5601 16.20839 15.82741       1.961415  17.53138       3.153719  14.75253       2.504785  271.0249 25.01928 248.9322 21.60472 22.09273       33.05644 
1 1 1 -14 12 16 o 365.9236 20.31744 31.74590       3.483510  34.40767       3.936419  22.13437       7.480197  380.7369 22.07368 296.9559 55.59228 83.78101       59.81429 
1 1 1 -14 12 17 o 618.0716 14.25156 90.11571       4.143529  106.3318       8.386498  84.87893       4.765848  668.9219 26.65238 599.4849 16.90023 69.43701       31.55894 
1 1 1 -14 12 18 o 125.9666 30.55996 3.942451       1.792341  2.358472       3.452218  4.526980       2.097135  116.9584 44.82056 134.8067 33.27275 -17.84837      55.82077 
1 1 1 -14 12 19 o 198.6655 22.52485 9.499220       2.067803  2.367112       3.800081  12.49933       2.464635  120.0638 46.74937 228.0687 23.30020 -108.0049      52.23412 
1 1 1 -14 12 20 o 294.7438 21.76974 20.78775       2.996974  0.000000       0.000000  20.78775       2.996974  ?        ?        294.7438 21.76974 0.000000       21.76974 
1 1 1 -14 12 21 o 243.3969 21.66556 14.23923       2.454649  9.311196       4.052180  17.09572       3.085096  189.4353 45.94548 265.9946 24.94770 -76.55927      52.28169 
1 1 1 -14 12 22 o 237.8002 22.09254 13.64521       2.443062  8.311687       4.322411  16.14888       2.961472  177.2914 49.78278 258.0925 24.69431 -80.80115      55.57098 
1 1 1 -14 12 23 o 409.3390 16.67500 39.88001       3.210836  38.61367       5.418435  40.56533       3.986070  397.0209 29.21821 411.0510 20.68092 -14.03003      35.79670 
1 1 1 -14 12 24 o 185.6444 43.33305 9.165329       3.715271  8.919486       4.353200  9.824615       7.128809  180.6928 49.67395 186.3772 65.55276 -5.684326      82.24758 
1 1 1 -14 12 25 o 104.2112 37.27939 2.475859       2.314889  5.705958       4.075081  0.9369338      2.812788  146.9767 49.64189 93.70914 38.87407 53.26757       63.05165 
1 1 1 -14 12 26 o 328.6416 19.67721 26.10644       3.027981  21.80635       4.699963  29.15776       3.959130  291.9268 34.91859 344.8421 24.56737 -52.91525      42.69501 
1 1 1 -14 12 27 o 271.3849 25.57092 18.25816       3.225897  20.02081       6.455477  17.67150       3.724237  263.1721 53.95745 264.1406 30.53607 -0.9685059     61.99886 
1 1 1 -14 12 28 o 102.6433 45.92115 -0.2907510     4.552962  2.294293       5.953376  -3.932818      7.066484  126.7956 54.72408 110.1491 52.01576 16.64652       75.50075 
1 1 1 -14 12 29 o 291.8752 27.11195 21.56895       3.679906  21.17123       7.588060  21.69125       4.207837  251.0428 64.04823 289.2746 31.42849 -38.23172      71.34371 
1 1 1 -14 12 30 o 147.0244 43.41333 6.375831       3.209726  7.372177       5.744202  5.923513       3.870318  150.2088 57.75520 140.0255 48.35403 10.18330       75.32446 
1 1 1 -14 12 31 o 259.1131 30.44639 17.88982       3.640290  18.20155       6.570602  17.75176       4.372726  223.0654 60.90619 249.9579 38.41887 -26.89253      72.01092 
1 1 1 -14 12 32 f 386.4909 28.48433 39.84914       5.142128  36.29608       7.213671  43.51962       7.331906  338.0797 46.59777 379.7060 41.73757 -41.62628      62.55698 
1 1 1 -14 12 33 o 140.1050 47.84060 7.192623       3.785116  9.812724       5.197199  4.233056       5.523628  151.1044 55.60122 115.0447 51.08135 36.05970       75.50364 
1 1 1 -14 14 1  o 560.3565 11.58466 73.89546       3.053633  71.07773       4.955214  75.62070       3.877367  549.2945 19.17732 566.7663 14.54332 -17.47180      24.06819 
1 1 1 -14 14 2  o 345.2338 13.01569 28.05348       2.113730  22.16198       3.137792  32.94804       2.860014  305.8571 21.95510 374.0632 16.25376 -68.20605      27.31686 
1 1 1 -14 14 3  o 224.7568 15.65259 11.95194       1.644557  10.06414       2.349259  13.76603       2.302943  205.0831 24.85980 240.8300 20.52425 -35.74683      32.23747 
1 1 1 -14 14 4  o 475.0287 11.54723 53.10638       2.580281  53.17597       3.080988  52.94293       4.721809  475.2778 13.78076 473.9521 21.17896 1.325653       25.26772 
1 1 1 -14 14 5  o 184.9724 21.62497 8.174870       1.846103  8.174870       1.846103  0.000000       0.000000  184.9724 21.62497 ?        ?        0.000000       21.62497 
1 1 1 -14 14 6  o 818.0284 11.86457 157.5014       4.565515  154.6548       5.193579  167.1819       9.577449  810.5108 13.62193 841.8505 24.18497 -31.33966      27.75734 
1 1 1 -14 14 7  o 1216.161 16.02313 348.3504       9.166587  354.8510       11.18015  335.0179       16.01126  1227.069 19.36910 1190.883 28.58162 36.18530       34.52639 
1 1 1 -14 14 8  o 1087.016 12.89027 278.1773       6.591240  276.5809       7.400243  284.3044       14.49794  1083.755 14.51595 1096.980 28.09560 -13.22461      31.62397 
1 1 1 -14 14 9  o 1225.335 15.99718 353.6960       9.220774  358.6478       11.06604  342.4495       16.67719  1233.475 19.07185 1203.442 29.45970 30.03271       35.09429 
1 1 1 -14 14 10 o 367.6497 13.09269 31.82770       2.264292  31.70543       2.524156  32.33150       5.123636  366.8908 14.62548 368.4822 29.81470 -1.591400      33.20874 
1 1 1 -14 14 11 o 688.5427 15.55226 111.7059       5.037251  108.4423       6.998600  115.2137       7.255860  677.8111 21.94993 698.6382 22.07838 -20.82709      31.13285 
1 1 1 -14 14 12 o 352.2068 14.70203 29.22873       2.435816  31.26529       2.848756  23.69155       4.697335  364.1798 16.62915 314.4306 32.21304 49.74921       36.25201 
1 1 1 -14 14 13 o 403.5201 14.86709 38.37723       2.822021  41.81630       3.234491  27.41380       5.775094  421.1221 16.32784 337.2878 37.00694 83.83435       40.44888 
1 1 1 -14 14 14 f 534.6159 12.51436 67.33913       3.147167  65.92193       4.219177  69.11668       4.725220  528.5809 16.96864 541.0700 18.56519 -12.48907      25.15156 
1 1 1 -14 14 15 o 414.1393 13.70467 40.43801       2.669834  39.12174       3.675004  41.90916       3.885187  406.8671 19.20154 421.0687 19.61506 -14.20157      27.44904 
1 1 1 -14 14 16 o 1006.812 13.59205 239.0929       6.437282  246.1910       9.346285  232.6868       8.879057  1020.128 19.47669 991.8851 19.02989 28.24249       27.23010 
1 1 1 -14 14 17 o 469.3285 18.59155 52.13459       4.104515  52.15060       4.676191  52.08086       8.566715  468.9595 21.19764 462.3743 39.77399 6.585205       45.07006 
1 1 1 -14 14 18 f 322.5386 15.80433 24.60011       2.397878  27.19539       4.206349  23.35071       2.918540  336.4231 26.80206 313.1321 19.91736 23.29102       33.39239 
1 1 1 -14 14 19 o 403.4116 14.42400 38.47970       2.737180  41.79958       4.852448  36.93038       3.314907  417.6012 24.81342 394.6532 17.85609 22.94803       30.57034 
1 1 1 -14 14 20 o 464.7002 14.34075 51.10413       3.134830  55.25131       5.338659  48.92170       3.872809  480.6737 23.61090 453.8350 18.14090 26.83868       29.77527 
1 1 1 -14 14 21 o 98.24359 34.65867 2.119139       1.994205  -1.161118      5.816195  2.556142       2.122889  117.0205 52.15995 105.1991 35.82830 11.82143       63.27975 
1 1 1 -14 14 22 o 357.7650 17.01150 30.46350       2.862924  27.48016       4.886263  32.02304       3.532842  333.7676 31.49401 365.2429 20.64694 -31.47525      37.65858 
1 1 1 -14 14 23 o 102.0514 37.84706 2.163357       2.416658  0.000000       0.000000  2.163357       2.416658  ?        ?        102.0514 37.84706 0.000000       37.84706 
1 1 1 -14 14 24 o 371.5714 17.21919 32.98165       3.009708  32.64107       5.118088  33.16168       3.721100  362.7801 30.26765 370.4423 21.44585 -7.662201      37.09521 
1 1 1 -14 14 25 o 102.7881 37.17265 2.373922       2.308584  4.241277       4.032312  1.463383       2.815725  132.7925 48.95833 98.23915 39.59538 34.55339       62.96596 
1 1 1 -14 14 26 o 229.9121 25.20407 13.08329       2.681165  7.531979       4.223234  16.83140       3.470195  163.5882 50.13704 259.1389 28.96306 -95.55069      57.90148 
1 1 1 -14 14 27 o 79.59563 34.41891 0.1065967      2.364171  -3.171674      4.204759  1.622081       2.858870  86.22901 40.53683 98.85194 39.87817 -12.62293      56.86390 
1 1 1 -14 14 28 o 60.21336 29.62290 -5.437400      2.942460  0.000000       0.000000  -5.437400      2.942460  ?        ?        60.21336 29.62290 0.000000       29.62290 
1 1 1 -14 14 29 o 130.7885 42.02637 4.843389       2.933278  -0.3237218     5.412064  6.992560       3.490395  107.2232 48.81384 154.0385 45.21141 -46.81534      66.53467 
1 1 1 -14 14 30 o 112.5639 42.33997 3.359964       3.045514  2.427765       5.494786  3.773316       3.658949  117.7488 51.66718 118.4717 45.94410 -0.7228928     69.14013 
1 1 1 -14 14 31 o 119.9904 51.83982 3.718787       5.353354  3.718787       5.353354  0.000000       0.000000  119.9904 51.83982 ?        ?        0.000000       51.83982 
1 1 1 -14 14 32 f 115.0630 45.75275 4.139735       3.707126  -1.696195      5.072124  10.83234       5.431659  91.23480 43.37288 161.7245 57.18393 -70.48970      71.77193 
1 1 1 -14 16 1  o 859.7110 12.35757 173.9715       4.997524  182.5096       7.835410  168.1162       6.488678  880.0998 18.92607 844.8777 16.32650 35.22211       24.99502 
1 1 1 -14 16 2  f 294.4829 15.11265 20.47416       2.086434  22.01684       3.030471  19.08392       2.876846  304.8644 21.26486 283.6790 21.72367 21.18536       30.39921 
1 1 1 -14 16 3  o 774.3270 11.57831 141.1222       4.217341  140.6894       5.956389  141.5573       5.972083  772.8647 16.38363 775.2457 16.37635 -2.380920      23.16481 
1 1 1 -14 16 4  o 597.2766 13.05063 83.98364       3.666707  85.67206       4.328980  79.69679       6.897873  603.1476 15.25783 581.0930 25.23483 22.05457       29.48894 
1 1 1 -14 16 5  o 839.3552 12.41851 165.8495       4.903256  160.2460       5.540615  186.0880       10.52979  824.9368 14.27802 887.8731 25.21156 -62.93628      28.97386 
1 1 1 -14 16 6  o 717.7400 12.01833 121.2699       4.057707  122.6824       4.643428  116.7063       8.346150  721.8151 13.67551 703.0601 25.23623 18.75507       28.70343 
1 1 1 -14 16 7  o 575.6331 11.61260 78.00244       3.144448  77.90388       3.497079  78.41856       7.185473  575.2096 12.92439 576.1130 26.51419 -0.9034424     29.49647 
1 1 1 -14 16 8  o 722.4120 11.49198 122.8592       3.905252  119.5076       4.232827  142.0333       10.12426  712.4223 12.63059 775.0232 27.77022 -62.60089      30.50765 
1 1 1 -14 16 9  o 352.2287 14.23078 29.22518       2.357885  28.47969       2.551269  33.59097       6.173984  347.6533 15.60057 374.4974 35.46946 -26.84406      38.74868 
1 1 1 -14 16 10 o 434.9653 11.61434 44.54939       2.376394  45.34220       2.548549  39.26873       6.577343  438.7863 12.34726 405.0862 34.85651 33.70004       36.97879 
1 1 1 -14 16 11 o 1181.891 27.27408 330.8561       15.16341  330.8561       15.16341  0.000000       0.000000  1181.891 27.27408 ?        ?        0.000000       27.27408 
1 1 1 -14 16 12 o 863.8867 20.89236 176.3603       8.490115  182.1047       10.16861  163.1391       15.42674  877.0353 24.64763 825.8148 39.71205 51.22058       46.73920 
1 1 1 -14 16 13 o 790.3659 13.14323 147.2421       4.886519  148.2564       6.061566  145.3595       8.258245  792.6312 16.25715 783.6908 22.40133 8.940430       27.67877 
1 1 1 -14 16 14 o 157.9102 30.01215 6.131901       2.147845  6.190114       2.503598  5.969614       4.180222  157.8842 34.65997 157.4476 50.12571 0.4366150      60.94178 
1 1 1 -14 16 15 o 155.9192 30.69097 6.002836       2.170878  6.213736       2.743009  5.649306       3.551423  157.6142 37.53458 151.5260 45.88134 6.088211       59.27851 
1 1 1 -14 16 16 o 517.5526 15.42191 63.29262       3.754584  70.15459       6.611739  60.02664       4.561401  542.6156 25.90324 503.3735 19.26365 39.24207       32.28105 
1 1 1 -14 16 17 o 687.2906 22.00143 112.3158       7.113128  111.2069       8.858701  114.3282       11.93395  681.7691 27.62253 685.6927 37.13706 -3.923645      46.28353 
1 1 1 -14 16 18 o 497.6300 13.47577 58.52137       3.154493  57.56187       4.842390  59.22872       4.157727  491.8918 20.92767 499.7742 17.68532 -7.882446      27.39960 
1 1 1 -14 16 19 o 862.7874 15.00033 176.2824       6.087988  179.4387       8.476198  172.9192       8.749747  867.7792 20.76455 851.2778 21.85017 16.50134       30.14294 
1 1 1 -14 16 20 o 500.5968 13.95667 59.34449       3.286541  54.86828       5.270641  62.19218       4.203929  478.4009 23.42082 511.4807 17.47257 -33.07986      29.22029 
1 1 1 -14 16 21 o 431.2825 14.81458 44.13416       3.005527  37.04390       4.849498  48.55598       3.829716  390.5418 26.55505 451.4225 18.03492 -60.88062      32.10030 
1 1 1 -14 16 22 o 386.3527 16.72376 35.55085       3.039394  43.51962       6.963786  33.67562       3.378137  416.9672 35.85242 374.8102 19.22474 42.15701       40.68153 
1 1 1 -14 16 23 o 295.4560 18.10876 20.94001       2.504670  16.27590       4.409133  23.16220       3.043400  251.7461 38.45221 309.7707 21.00995 -58.02458      43.81770 
1 1 1 -14 16 24 o 119.7577 34.42887 3.689838       2.042899  6.435429       4.020648  2.734337       2.371886  154.4937 49.15696 107.9171 37.82007 46.57656       62.02229 
1 1 1 -14 16 25 o 214.1438 45.28665 12.47951       4.419332  12.47951       4.419332  0.000000       0.000000  214.1438 45.28665 ?        ?        0.000000       45.28665 
1 1 1 -14 16 26 o 144.8999 34.88190 5.550983       2.349008  7.066397       4.319000  4.914423       2.799222  157.8571 51.02461 135.1834 40.68909 22.67369       65.26188 
1 1 1 -14 16 27 o 120.9278 37.98220 3.894625       2.407013  1.317558       4.288185  5.080096       2.908413  109.2760 46.79168 135.9515 41.59677 -26.67548      62.60793 
1 1 1 -14 16 28 o 85.23688 36.84433 0.3645126      2.707042  2.348692       4.926505  -0.4937037     3.240013  118.3159 50.39448 86.08757 38.61028 32.22836       63.48510 
1 1 1 -14 16 29 o 89.35752 37.99434 0.9098542      2.791536  -5.978003      4.701113  4.661294       3.469426  79.64257 38.81131 127.4346 45.63316 -47.79200      59.90578 
1 1 1 -14 16 30 o 129.2227 41.94044 5.006084       2.915874  2.073425       4.922408  6.591458       3.619201  111.0365 48.80762 144.1040 46.72183 -33.06748      67.56562 
1 1 1 -14 16 31 o 94.19115 40.90809 1.347100       3.368890  -3.427468      4.654129  6.602260       4.882748  83.43688 40.16241 135.2156 52.89706 -51.77869      66.41624 
1 1 1 -14 18 1  o 351.1150 17.04044 29.04998       2.814489  30.62205       4.104335  27.65458       3.866849  359.3172 24.42767 341.4045 24.23538 17.91266       34.41024 
1 1 1 -14 18 2  o 461.2841 12.32646 50.09661       2.674707  48.80150       3.707656  51.50201       3.862297  455.0621 17.32046 467.4704 17.56395 -12.40826      24.66761 
1 1 1 -14 18 3  o 410.3939 12.49145 39.65511       2.411477  40.58899       3.321687  38.61441       3.506499  415.0111 17.01491 404.7226 18.41819 10.28851       25.07463 
1 1 1 -14 18 4  o 550.4716 12.86680 71.35373       3.331768  72.24927       3.965296  69.20334       6.144598  553.7859 15.22174 541.3179 24.13080 12.46796       28.53063 
1 1 1 -14 18 5  f 543.4734 12.37639 69.54913       3.164037  69.71777       3.637615  69.02498       6.412907  544.0329 14.21420 540.4501 25.22493 3.582764       28.95411 
1 1 1 -14 18 6  o 420.1937 13.01091 41.58363       2.571736  40.64368       2.862973  45.51130       5.852376  415.3426 14.65350 437.5501 28.59101 -22.20752      32.12742 
1 1 1 -14 18 7  o 259.4449 16.31275 15.93031       1.980728  15.60582       2.158196  17.66350       4.987839  256.6048 17.99337 269.2568 40.64548 -12.65201      44.45016 
1 1 1 -14 18 8  f 907.4440 14.75576 194.0739       6.298699  199.8050       7.612099  181.6290       11.21711  920.3506 17.58255 875.7186 27.22996 44.63208       32.41322 
1 1 1 -14 18 9  o 481.7406 11.25177 54.65590       2.549783  54.66851       2.748216  54.57789       6.834263  481.7450 12.12731 478.4570 30.52462 3.287964       32.84546 
1 1 1 -14 18 10 f 331.3065 12.53264 25.86352       1.953178  25.56509       2.054989  28.65339       6.283216  329.3537 13.26409 343.7924 39.57445 -14.43872      41.73815 
1 1 1 -14 18 11 o 294.9048 19.60990 20.64631       2.704854  21.81026       3.015988  15.86207       6.114630  302.8930 21.30318 250.6777 53.48476 52.21530       57.57122 
1 1 1 -14 18 12 o 111.0099 37.74623 2.749743       2.356218  2.972458       2.700558  2.039645       4.822128  116.5564 40.38307 128.6689 51.83188 -12.11253      65.70644 
1 1 1 -14 18 13 o 359.2902 15.76497 30.48640       2.664452  33.24388       3.022045  20.85934       5.646662  375.0491 17.12945 290.7141 42.55076 84.33496       45.86922 
1 1 1 -14 18 14 o 164.7474 29.35823 6.672106       2.191773  5.006126       2.420794  14.24817       5.162318  141.5048 36.21618 237.2523 47.90590 -95.74748      60.05486 
1 1 1 -14 18 15 o 384.5263 20.09097 35.16785       3.621480  41.70631       4.776278  26.32528       5.554451  417.7767 24.41010 328.0647 36.61724 89.71198       44.00767 
1 1 1 -14 18 16 o 79.10200 34.05850 -0.1110257     2.294894  -1.693741      2.734316  3.660756       4.221051  75.52198 34.50344 134.3216 49.97852 -58.79966      60.73171 
1 1 1 -14 18 17 o 359.3542 16.35160 30.59660       2.764090  32.04003       3.922636  29.17304       3.895533  365.7615 22.91440 348.6722 23.89504 17.08929       33.10654 
1 1 1 -14 18 18 f 289.3591 27.63414 20.33347       3.715696  20.33347       3.715696  0.000000       0.000000  289.3591 27.63414 ?        ?        0.000000       27.63414 
1 1 1 -14 18 19 o 173.8085 27.00507 7.445810       2.136266  4.270095       3.530419  9.280289       2.683254  133.9203 46.18561 193.3636 30.51155 -59.44325      55.35400 
1 1 1 -14 18 20 o 298.5023 17.20801 21.26926       2.406040  21.21534       4.133612  21.29689       2.958947  293.6629 30.36182 297.5517 21.28048 -3.888794      37.07693 
1 1 1 -14 18 21 o 597.6365 21.72576 85.71603       6.107752  85.71603       6.107752  0.000000       0.000000  597.6365 21.72576 ?        ?        0.000000       21.72576 
1 1 1 -14 18 22 o 258.9477 21.41255 16.21466       2.584852  16.78062       6.360754  16.10271       2.828974  245.5274 56.27664 257.2851 23.63904 -11.75763      61.03986 
1 1 1 -14 18 23 o 86.90523 32.94772 1.434507       1.852927  6.895283       3.786429  -0.2849706     2.124717  159.8640 47.13765 73.51105 32.19535 86.35297       57.08326 
1 1 1 -14 18 24 o 257.8363 19.77836 16.08394       2.380569  13.42415       4.229154  17.31757       2.880202  225.1351 41.46152 266.2214 23.23186 -41.08629      47.52660 
1 1 1 -14 18 25 o 207.8196 23.94302 10.67142       2.297839  12.41682       4.324232  9.984634       2.712500  213.0336 44.58245 198.2893 30.01960 14.74429       53.74729 
1 1 1 -14 18 26 o 176.5901 44.57285 8.755426       3.702904  7.119701       4.239115  14.02200       7.606486  157.0728 50.52751 204.0097 67.81399 -46.93687      84.56812 
1 1 1 -14 18 27 o 127.4012 37.34896 4.428176       2.383216  3.460166       5.091415  4.699780       2.696911  126.8188 52.42973 130.4806 40.07794 -3.661736      65.99331 
1 1 1 -14 18 28 o 225.8747 27.93318 13.14500       2.904691  9.797860       5.411029  14.49999       3.442786  171.1352 57.20611 234.2600 32.08549 -63.12476      65.58977 
1 1 1 -14 18 29 o 274.3193 30.18651 19.89689       3.830825  0.000000       0.000000  19.89689       3.830825  ?        ?        274.3193 30.18651 0.000000       30.18651 
1 1 1 -14 20 1  o 546.3170 18.15722 70.40961       4.666200  72.41380       7.939314  69.35197       5.767471  551.6674 30.71580 541.7490 22.63174 9.918335       38.15306 
1 1 1 -14 20 2  o 1355.373 17.80625 433.3506       11.35274  437.4975       13.75638  424.4947       20.10271  1360.928 21.48818 1337.081 31.96153 23.84705       38.51339 
1 1 1 -14 20 3  o 1155.205 19.15844 314.9844       10.41090  314.9844       10.41090  0.000000       0.000000  1155.205 19.15844 ?        ?        0.000000       19.15844 
1 1 1 -14 20 4  o 422.6429 13.72949 42.09285       2.729589  46.58146       3.869795  37.64838       3.850721  444.2628 18.51734 398.7104 20.60162 45.55237       27.70052 
1 1 1 -14 20 5  o 340.8723 14.68587 27.39132       2.354837  28.29969       2.657125  24.06659       5.083444  346.3865 16.30729 316.0325 34.76960 30.35400       38.40382 
1 1 1 -14 20 6  o 123.0485 29.36026 3.738768       1.675744  3.970676       1.807533  2.320155       4.470541  126.7602 30.65028 127.7757 50.42136 -1.015526      59.00638 
1 1 1 -14 20 7  o 785.7676 12.32028 145.4870       4.553907  148.4034       5.150876  135.0476       9.745334  793.4189 13.80096 754.3133 27.46475 39.10565       30.73726 
1 1 1 -14 20 8  o 173.6988 25.62710 7.306993       2.031045  7.088150       2.206720  8.519620       5.194502  170.4638 28.52792 185.2124 55.35642 -14.74863      62.27500 
1 1 1 -14 20 9  o 1043.466 13.02379 256.7088       6.392712  256.4606       7.054887  257.8478       15.11354  1042.687 14.38358 1040.016 30.89277 2.670532       34.07713 
1 1 1 -14 20 10 o 373.0358 12.07307 32.80368       2.118544  33.02875       2.230936  30.73722       6.759881  374.2704 12.67163 354.6385 41.29457 19.63190       43.19504 
1 1 1 -14 20 11 o 619.6035 12.37625 90.53223       3.607215  90.53223       3.607215  0.000000       0.000000  619.6035 12.37625 ?        ?        0.000000       12.37625 
1 1 1 -14 20 12 o 134.5181 36.82853 4.505023       2.398629  4.709023       2.617000  3.433413       5.998004  137.6204 38.76902 147.4740 58.33697 -9.853592      70.04456 
1 1 1 -14 20 13 o 508.9669 16.09498 61.25993       3.853446  63.41844       4.327881  53.00238       8.464948  517.5480 17.77687 465.8535 38.98675 51.69452       42.84838 
1 1 1 -14 20 14 o 87.51418 34.15056 1.170527       2.031276  0.9212980      2.226814  2.405595       4.957121  87.66947 35.25536 130.9234 52.61840 -43.25388      63.33748 
1 1 1 -14 20 15 o 337.0903 17.91349 27.02453       2.830311  30.99733       3.276739  15.35156       5.616737  360.7542 19.38006 243.5396 50.67762 117.2146       54.25687 
1 1 1 -14 20 16 o 592.6777 18.05766 83.40330       5.034418  83.40330       5.034418  0.000000       0.000000  592.6777 18.05766 ?        ?        0.000000       18.05766 
1 1 1 -14 20 17 o 425.1884 16.90357 42.91182       3.380876  46.80396       4.333739  36.85976       5.404053  443.0174 20.79566 389.3365 29.73179 53.68088       36.28276 
1 1 1 -14 20 18 o 289.3880 21.14045 20.10818       2.857908  21.67715       3.763432  17.97090       4.392476  298.6214 27.08601 268.4464 35.66721 30.17505       44.78617 
1 1 1 -14 20 19 o 310.2313 19.06414 23.03261       2.768622  18.99671       3.802917  27.58413       4.038544  278.2171 29.50830 337.3595 25.64041 -59.14240      39.09183 
1 1 1 -14 20 20 f 66.70372 30.29537 -1.093359      2.068989  2.479765       3.291978  -3.426271      2.660003  113.8840 43.73810 64.58234 30.89779 49.30164       53.55086 
1 1 1 -14 20 21 o 61.57293 29.00912 -2.218201      2.174563  -3.249108      4.574395  -1.917215      2.471706  92.82516 43.19065 68.74482 31.90632 24.08034       53.69772 
1 1 1 -14 20 22 o 471.3249 14.81867 52.83440       3.285481  55.34101       5.424436  51.38206       4.129008  477.4121 24.23362 463.1747 18.95098 14.23749       30.76374 
1 1 1 -14 20 23 o 195.5825 26.56038 9.509754       2.380409  8.216410       6.089020  9.743073       2.586225  171.1470 60.54224 197.1377 28.73345 -25.99074      67.01473 
1 1 1 -14 20 24 o 73.25637 31.30053 0.1639200      1.911398  0.2951702      3.613353  0.1129234      2.252325  97.74847 42.40962 78.36518 33.74120 19.38329       54.19450 
1 1 1 -14 20 25 o 104.8337 35.21282 2.749802       2.050300  0.5116279      3.697864  3.743277       2.463671  99.14864 42.95985 119.4865 38.52829 -20.33782      57.70596 
1 1 1 -14 20 26 o 143.0229 34.11539 5.487048       2.263077  6.312835       3.975735  5.091232       2.752519  147.5022 49.02690 135.6267 40.24146 11.87550       63.42722 
1 1 1 -14 20 27 o 71.21422 32.43406 -0.9315935     2.392496  0.6575506      4.621401  -1.513449      2.796401  105.5491 46.80116 73.83576 34.15167 31.71329       57.93690 
1 1 1 -14 20 28 f 144.4906 39.19208 6.039430       2.731282  1.180440       4.637223  8.620442       3.379715  106.2049 46.99678 170.8369 42.28363 -64.63204      63.21869 
1 1 1 -14 22 1  o 643.0825 12.76811 97.46874       3.862447  101.5851       5.861096  94.30885       5.135240  655.7040 19.00211 632.0339 17.27234 23.67004       25.67905 
1 1 1 -14 22 2  o 728.8210 13.97157 125.2483       4.789999  119.4720       5.657933  139.8633       8.999842  711.4023 16.90726 768.0745 24.90934 -56.67218      30.10533 
1 1 1 -14 22 3  o 466.3588 13.95589 51.28600       3.061590  50.28677       3.563572  54.10226       5.982603  461.5659 16.41279 476.6160 26.79276 -15.05011      31.42025 
1 1 1 -14 22 4  o 687.4133 11.92730 111.3586       3.856821  115.7731       5.303859  106.4048       5.618465  700.3448 16.09944 671.1469 17.79634 29.19794       23.99795 
1 1 1 -14 22 5  o 488.8712 14.00176 56.37040       3.219929  58.78838       3.692275  48.69204       6.579637  499.0623 15.72787 450.8157 31.21871 48.24661       34.95674 
1 1 1 -14 22 6  o 389.6870 13.87743 35.82088       2.543866  35.22734       2.793475  38.70392       6.156676  386.3175 15.37202 401.0945 32.92134 -14.77704      36.33337 
1 1 1 -14 22 7  o 353.0390 20.14771 29.60013       3.332065  32.95898       4.031577  22.36029       5.918950  372.0399 23.15124 301.1328 43.00637 70.90707       48.84186 
1 1 1 -14 22 8  o 473.9846 12.10877 52.97364       2.699812  53.37613       2.909189  50.47563       7.247657  475.6905 13.00104 457.5772 33.91301 18.11331       36.31969 
1 1 1 -14 22 9  o 309.1971 15.35574 22.58393       2.233446  23.47641       2.392366  16.52794       6.231896  314.7578 16.21285 254.0880 53.81439 60.66980       56.20360 
1 1 1 -14 22 10 o 498.7645 12.15105 58.68269       2.850878  58.68269       2.850878  0.000000       0.000000  498.7645 12.15105 ?        ?        0.000000       12.15105 
1 1 1 -14 22 11 o 179.1417 18.92596 7.689372       1.570719  8.220701       1.631112  0.9102260      5.826252  185.2845 18.98234 130.1180 55.08714 55.16656       58.26596 
1 1 1 -14 22 12 o 470.9642 12.40546 52.35882       2.748338  53.02246       2.930132  47.50298       7.925970  473.8341 13.14594 440.1936 38.66914 33.64053       40.84260 
1 1 1 -14 22 13 o 279.5995 21.98141 18.72515       2.867778  18.83317       3.152841  18.20749       6.901709  279.8838 24.18480 263.0225 57.39510 16.86136       62.28244 
1 1 1 -14 22 14 f 176.4610 42.82652 7.984154       3.518956  6.141499       4.144164  12.74673       6.662478  156.5936 49.91491 217.9090 62.02425 -61.31538      79.61473 
1 1 1 -14 22 15 o 290.4459 17.36055 20.08980       2.361049  20.46343       2.514550  17.30678       6.862702  292.9355 18.34058 254.1727 58.59775 38.76279       61.40092 
1 1 1 -14 22 16 o 158.3541 34.49494 6.341271       2.496810  4.843003       2.886161  10.79782       4.977655  138.4734 41.23435 201.9332 52.06712 -63.45981      66.41730 
1 1 1 -14 22 17 o 98.86779 38.82990 1.553754       2.639626  1.766083       2.777110  -0.4328181     8.494536  102.5644 39.95660 143.2585 63.48988 -40.69405      75.01663 
1 1 1 -14 22 18 o 248.3886 24.76255 14.97921       2.854753  17.28925       3.499309  10.38255       4.936223  265.7687 28.43143 196.6749 52.40833 69.09381       59.62365 
1 1 1 -14 22 19 o 63.84566 30.91112 -4.416444      2.856097  -4.832608      3.175700  -2.655470      6.532563  67.44791 32.63999 116.6982 53.32151 -49.25027      62.51842 
1 1 1 -14 22 20 o 419.7149 19.73842 42.16600       3.897050  42.18193       6.393963  42.15659       4.915587  412.1266 33.26494 416.7045 25.19561 -4.577942      41.72979 
1 1 1 -14 22 21 o 382.6421 17.27290 34.95911       3.109047  35.61104       4.580511  34.40218       4.233658  382.0070 25.63885 376.2613 24.04543 5.745636       35.15015 
1 1 1 -14 22 22 o 66.29658 30.70105 -1.649671      2.269775  -6.178275      3.504908  1.621384       2.978780  67.21799 32.91787 101.5072 40.79140 -34.28922      52.41684 
1 1 1 -14 22 23 o 157.2616 37.25637 6.565845       2.713758  6.649532       4.110590  6.501190       3.613040  154.7688 49.75242 153.6423 46.22293 1.126465       67.91070 
1 1 1 -14 22 24 o 134.4632 35.36110 4.819200       2.266467  3.464265       3.667794  5.656171       2.882712  121.5767 46.29201 143.8436 40.74840 -22.26685      61.67157 
1 1 1 -14 22 25 o 276.4293 20.08724 18.69416       2.594152  20.54348       4.193028  17.54734       3.301955  281.6826 32.22435 263.7423 26.99515 17.94034       42.03745 
1 1 1 -14 22 26 o 197.8867 29.63225 10.19054       2.673491  -0.9821641     4.676663  15.61431       3.258422  98.17961 44.95570 246.3043 28.65911 -148.1247      53.31379 
1 1 1 -14 24 1  o 507.9951 13.63768 60.88231       3.258887  64.83208       4.849849  57.63071       4.400389  523.3439 19.70025 493.5397 18.95395 29.80426       27.33774 
1 1 1 -14 24 2  f 437.0536 13.24918 45.05990       2.723911  44.07072       3.573519  46.43166       4.208217  431.7444 17.59544 442.7928 20.20358 -11.04843      26.79149 
1 1 1 -14 24 3  o 587.3345 14.00197 81.41010       3.868513  84.07088       4.533792  74.28657       7.418302  596.5219 16.15720 557.4408 28.38413 39.08105       32.66059 
1 1 1 -14 24 4  o 215.3781 17.93637 11.04762       1.800689  9.102960       2.135643  15.83000       3.349106  194.3333 23.86357 256.1232 28.26887 -61.78989      36.99458 
1 1 1 -14 24 5  o 453.0081 14.37778 48.45188       3.063847  49.92583       3.448282  42.92509       6.677239  459.6451 15.94817 421.4469 33.96943 38.19812       37.52688 
1 1 1 -14 24 6  o 428.3313 13.67828 43.30793       2.756008  43.30159       3.006299  43.34126       6.899102  428.1526 14.92671 422.9487 34.99077 5.203888       38.04157 
1 1 1 -14 24 7  f 614.2723 16.22002 89.22218       4.686856  87.73003       5.545073  92.95483       8.770244  608.4254 19.37451 623.0273 29.92507 -14.60199      35.64943 
1 1 1 -14 24 8  o 182.4641 20.78156 8.001993       1.751890  7.957332       1.848101  8.397741       5.501355  181.6986 22.07594 182.4414 57.44094 -0.7427368     61.53705 
1 1 1 -14 24 9  o 117.0498 26.92235 3.402716       1.451463  3.998171       1.514760  -3.278835      5.074089  127.1461 26.19785 101.1799 46.51225 25.96622       53.38274 
1 1 1 -14 24 10 f 519.6754 12.21550 63.74456       2.986158  63.74456       2.986158  0.000000       0.000000  519.6754 12.21550 ?        ?        0.000000       12.21550 
1 1 1 -14 24 11 o 239.6886 14.82970 13.63824       1.663836  14.02551       1.729132  8.799049       6.112353  243.0247 15.20188 185.9787 60.74066 57.04596       62.61409 
1 1 1 -14 24 12 o 161.7705 22.37256 6.349785       1.656920  6.401066       1.725206  5.740191       5.948160  162.2332 23.27301 161.1147 59.45095 1.118423       63.84394 
1 1 1 -14 24 13 o 379.0955 13.74549 33.98037       2.451196  33.57745       2.607642  37.03924       7.184875  376.6963 14.71591 386.4370 40.10918 -9.740723      42.72358 
1 1 1 -14 24 14 o 281.1348 23.12039 19.00672       3.030491  22.71395       3.430394  5.829370       6.467459  307.2673 23.92185 163.4594 61.65511 143.8079       66.13326 
1 1 1 -14 24 15 o 96.16406 38.08412 1.362736       2.559017  -0.6468022     2.793476  11.84899       6.381268  82.83170 36.57393 209.1303 61.06020 -126.2986      71.17584 
1 1 1 -14 24 16 f 269.0348 21.22264 17.39133       2.664013  17.39133       2.664013  0.000000       0.000000  269.0348 21.22264 ?        ?        0.000000       21.22264 
1 1 1 -14 24 17 o 114.4328 38.60792 3.101872       2.464834  2.539048       2.937723  4.440285       4.530223  111.6706 41.66603 140.6191 51.88423 -28.94852      66.54346 
1 1 1 -14 24 18 o 354.8111 27.51304 30.70847       4.556126  40.90369       5.911438  15.79073       7.150662  407.8677 31.04400 235.7864 63.18847 172.0813       70.40250 
1 1 1 -14 24 19 o 67.06548 32.14098 -3.773143      2.906117  -5.019391      3.203205  2.025862       6.909700  66.98938 32.50604 139.2995 59.51543 -72.31012      67.81393 
1 1 1 -14 24 20 o 105.9592 40.90168 2.143146       2.889501  2.245774       3.276325  1.783888       6.129957  110.5112 43.30342 131.1933 56.05458 -20.68208      70.83292 
1 1 1 -14 24 21 o 151.9915 37.33884 6.090024       2.650370  7.227017       3.492340  4.545787       4.070004  163.1617 44.34270 135.6529 49.31103 27.50885       66.31631 
1 1 1 -14 24 22 o 247.2148 27.14898 15.23483       3.105179  13.67452       3.823421  18.25803       5.322071  228.8848 36.75515 258.9879 45.33668 -30.10316      58.36399 
1 1 1 -14 24 23 o 232.5526 24.25943 13.41652       2.614752  17.64237       3.932118  10.06659       3.500958  261.8747 32.62774 192.7707 39.92172 69.10397       51.55883 
1 1 1 -14 24 24 o 144.9024 41.77544 5.890080       3.003942  9.295483       7.086662  5.144174       3.316651  168.7821 64.32718 135.6330 44.76466 33.14905       78.37003 
1 1 1 -14 26 1  o 674.5002 13.33671 107.3748       4.231556  111.4643       6.252189  103.9182       5.748180  685.9131 19.37732 662.5136 18.44447 23.39954       26.75218 
1 1 1 -14 26 2  o 690.3929 14.36118 112.5632       4.663970  114.6637       5.635419  107.9964       8.309335  696.1901 17.20795 673.0582 26.24486 23.13190       31.38322 
1 1 1 -14 26 3  f 400.5420 15.84659 37.92476       2.985748  39.74258       3.406308  31.89655       6.203009  409.7785 17.67118 361.5907 36.98904 48.18784       40.99341 
1 1 1 -14 26 4  o 492.9236 14.14086 57.38266       3.278873  57.50860       3.703777  56.92628       7.050405  493.1870 15.96482 486.2632 30.98426 6.923767       34.85541 
1 1 1 -14 26 5  o 241.5008 18.08311 13.88794       2.039375  14.02805       2.218582  13.12426       5.179567  242.4612 19.62017 226.3120 49.98783 16.14923       53.70042 
1 1 1 -14 26 6  o 84.36554 37.45193 -0.9179426     2.967825  -1.103051      3.655624  -0.5600476     5.083077  93.45032 41.52146 114.3727 49.95182 -20.92243      64.95550 
1 1 1 -14 26 7  o 102.2552 32.72927 2.471427       1.780353  2.889101       1.903247  -0.4530321     5.036162  109.3443 33.68188 114.3073 49.82743 -4.962952      60.14351 
1 1 1 -14 26 8  o 538.4311 11.94193 68.41397       3.024642  67.62818       3.249323  73.51368       8.277754  535.1805 12.90694 551.6245 32.03868 -16.44397      34.54079 
1 1 1 -14 26 9  o 129.5017 26.36589 4.151379       1.551561  4.151379       1.551561  0.000000       0.000000  129.5017 26.36589 ?        ?        0.000000       26.36589 
1 1 1 -14 26 10 o 392.0392 12.16853 36.28639       2.244073  36.26868       2.366235  36.44471       7.075575  391.8599 12.83683 384.1464 39.72985 7.713470       41.75219 
1 1 1 -14 26 11 o 346.9013 12.71494 28.42821       2.074864  28.30853       2.175603  29.63139       6.898458  346.0914 13.36348 343.8824 43.62679 2.209015       45.62761 
1 1 1 -14 26 12 o 186.0352 20.48660 8.334310       1.763094  8.822603       1.838874  2.773484       6.205561  191.4113 20.75532 142.5390 58.28831 48.87238       61.87334 
1 1 1 -14 26 13 o 276.8426 18.91390 18.30740       2.448365  18.16080       2.618757  19.32521       6.900271  275.3911 20.35943 269.7782 56.19837 5.612885       59.77259 
1 1 1 -14 26 14 o 135.9643 34.14197 4.687346       2.180559  5.240583       2.355369  1.369798       5.767817  143.5897 35.15383 129.8240 54.87796 13.76570       65.17194 
1 1 1 -14 26 15 o 498.2791 17.35049 59.03411       4.066808  59.73034       4.611743  56.59929       8.624283  500.4664 19.58939 476.3763 38.82376 24.09018       43.48595 
1 1 1 -14 26 16 o 122.2284 39.89664 3.665207       2.637216  5.744809       2.914389  -5.734245      6.195961  148.9409 40.52014 102.6954 48.56003 46.24545       63.24522 
1 1 1 -14 26 17 o 186.7252 28.56149 8.665599       2.428975  9.534128       2.639673  3.867420       6.204349  195.6714 29.60341 145.4102 58.71661 50.26126       65.75714 
1 1 1 -14 26 18 o 301.5472 20.31216 21.90998       2.864467  23.41761       3.121972  13.88526       7.202709  311.3715 21.44555 217.2976 65.23849 94.07387       68.67294 
1 1 1 -14 26 19 o 260.9297 33.51328 17.21682       4.018405  0.000000       0.000000  17.21682       4.018405  ?        ?        260.9297 33.51328 0.000000       33.51328 
1 1 1 -14 26 20 o 307.6935 28.24428 23.52618       4.042434  23.52618       4.042434  0.000000       0.000000  307.6935 28.24428 ?        ?        0.000000       28.24428 
1 1 1 -14 26 21 o 112.9104 41.47285 2.981747       2.889695  6.221056       3.493696  -4.033888      5.141531  150.0588 45.52255 93.93784 44.36295 56.12099       63.56393 
1 1 1 -14 28 1  o 162.2711 31.43370 6.526456       2.312747  8.385327       3.555592  5.163213       3.044907  181.9439 42.33897 143.9885 42.21806 37.95538       59.79091 
1 1 1 -14 28 2  o 363.4455 17.56409 31.27449       3.002854  31.35836       3.551581  31.06421       5.623542  362.8522 20.89597 357.5685 33.83578 5.283630       39.76810 
1 1 1 -14 28 3  o 409.3869 13.93594 39.58720       2.683735  44.24347       3.686681  34.33826       3.914286  432.1583 18.13524 379.4593 22.02369 52.69901       28.52946 
1 1 1 -14 28 4  o 410.6409 15.42782 39.87359       2.980135  40.24268       3.334030  38.40666       6.646768  412.2715 17.19163 396.8612 35.99594 15.41028       39.89060 
1 1 1 -14 28 5  o 465.8018 13.72046 51.25493       3.006346  51.85350       3.321640  48.54340       7.069710  468.3022 15.07846 447.2140 33.85698 21.08826       37.06285 
1 1 1 -14 28 6  o 389.4815 37.50631 37.18787       6.786690  0.000000       0.000000  37.18787       6.786690  ?        ?        389.4815 37.50631 0.000000       37.50631 
1 1 1 -14 28 7  o 142.1376 28.61780 5.014410       1.847237  4.802430       1.958783  6.718193       5.553232  138.6411 30.83213 167.2796 57.91166 -28.63857      65.60778 
1 1 1 -14 28 8  f 366.7931 13.65891 31.79834       2.356711  32.60756       2.519894  26.15042       6.657211  371.3264 14.42638 322.3199 45.14585 49.00641       47.39481 
1 1 1 -14 28 9  o 435.4555 12.72190 44.79892       2.605943  44.79892       2.605943  0.000000       0.000000  435.4555 12.72190 ?        ?        0.000000       12.72190 
1 1 1 -14 28 10 o 55.73982 25.20316 -0.7422179     1.412895  -0.5104399     1.468622  -3.623663      5.178202  59.13172 26.29330 100.2230 46.39766 -41.09126      53.32992 
1 1 1 -14 28 11 o 338.0750 13.73633 27.04092       2.184505  27.96561       2.322007  19.91974       6.443795  343.7129 14.36145 276.3029 51.47163 67.40997       53.43763 
1 1 1 -14 28 12 o 310.4080 18.16743 22.98913       2.641181  24.50353       2.948534  16.84007       5.941427  320.1158 19.67608 252.7631 51.71276 67.35271       55.32954 
1 1 1 -14 28 13 o 370.3154 14.86451 32.51260       2.589355  32.92735       2.773129  29.69085       7.233307  372.4718 15.82732 339.8525 46.46275 32.61929       49.08453 
1 1 1 -14 28 14 o 230.5374 20.99186 12.81686       2.251525  14.70263       2.418457  0.5541023      6.167198  247.0309 21.01174 127.7564 55.41724 119.2745       59.26689 
1 1 1 -14 28 15 o 238.0684 23.80452 13.78189       2.630084  13.78189       2.630084  0.000000       0.000000  238.0684 23.80452 ?        ?        0.000000       23.80452 
1 1 1 -14 28 16 o 92.47832 40.48725 -0.2656497     3.357313  1.195898       4.578890  -1.964923      4.937253  115.5691 48.87647 102.4120 46.62350 13.15704       67.54746 
1 1 1 -14 28 17 o 381.8515 26.76795 35.74355       4.777761  46.40310       7.299140  27.75268       6.319742  428.0714 36.60004 326.6479 42.10974 101.4234       55.79241 
1 1 1 -14 28 18 o 231.2800 52.64723 15.04459       5.599166  0.000000       0.000000  15.04459       5.599166  ?        ?        231.2800 52.64723 0.000000       52.64723 
1 1 1 -14 30 1  o 194.1914 26.85058 9.189093       2.387127  9.968120       3.566163  8.556652       3.213178  198.8698 39.51345 184.2490 38.32194 14.62085       55.04438 
1 1 1 -14 30 2  o 545.9911 15.81628 70.55838       4.062181  68.75902       4.921306  74.40548       7.195961  538.1209 19.44156 557.1641 27.45595 -19.04315      33.64229 
1 1 1 -14 30 3  o 203.1158 23.60218 9.969336       2.213054  15.80400       3.153012  4.303873       3.106957  255.5823 26.61606 133.4297 43.29222 122.1526       50.81959 
1 1 1 -14 30 4  o 98.45572 35.60821 2.000853       2.118407  3.949223       2.365473  -5.891796      4.760951  126.1100 37.27790 86.93858 41.52254 39.17140       55.80110 
1 1 1 -14 30 5  o 198.4877 24.61824 9.556717       2.249242  9.553434       2.479932  9.571939       5.340346  197.7518 27.39523 191.1400 55.87313 6.611725       62.22785 
1 1 1 -14 30 6  o 134.2773 30.38074 4.517502       1.874145  4.032815       1.999923  8.011297       5.369470  126.6599 33.17247 176.7829 56.86629 -50.12293      65.83454 
1 1 1 -14 30 7  o 220.9061 20.60571 11.72020       2.116520  13.49275       2.290641  1.372771       5.534451  237.1213 20.74480 128.4223 53.99189 108.6990       57.84005 
1 1 1 -14 30 8  o 349.2742 15.44793 28.90836       2.538084  28.90836       2.538084  0.000000       0.000000  349.2742 15.44793 ?        ?        0.000000       15.44793 
1 1 1 -14 30 9  o 195.3126 21.19962 9.208266       1.916452  9.511594       2.065681  7.333532       5.135430  198.2116 22.55638 169.0943 55.69729 29.11734       60.09142 
1 1 1 -14 30 10 o 172.3115 40.62198 7.661725       3.238931  13.58799       4.455417  1.019620       4.716835  229.9517 42.76305 117.5625 49.65721 112.3892       65.53256 
1 1 1 -14 30 11 o 208.7337 34.07258 10.93597       3.230103  13.19263       4.371523  8.222355       4.793727  226.0948 42.66722 175.7905 53.32266 50.30437       68.29201 
1 1 1 -14 30 12 o 376.7522 23.40870 34.25442       4.128087  41.05232       5.994104  28.12129       5.693484  408.5518 31.43065 334.9987 36.73228 73.55304       48.34404 
1 1 1 -14 30 13 o 116.3017 43.23824 2.877692       3.158018  0.3231272E-01  4.506102  5.624257       4.427168  108.2635 47.16433 149.3736 51.70808 -41.11005      69.98714 
1 1 1 -14 30 14 o 133.2828 45.84669 4.399765       3.477704  3.766350       4.778692  5.112961       5.070722  134.8712 52.44952 146.8132 54.74822 -11.94196      75.81768 
1 1 1 -14 32 1  f 134.2771 53.03045 3.079668       4.948962  3.079668       4.948962  0.000000       0.000000  134.2771 53.03045 ?        ?        0.000000       53.03045 
1 1 1 -14 32 4  o 182.0145 42.93959 8.564210       3.617016  8.564210       3.617016  0.000000       0.000000  182.0145 42.93959 ?        ?        0.000000       42.93959 
1 1 1 -14 32 5  o 319.5117 36.35310 25.36267       5.366559  0.000000       0.000000  25.36267       5.366559  ?        ?        319.5117 36.35310 0.000000       36.35310 
1 1 1 -14 32 6  o 185.2805 33.73790 8.628807       2.832138  6.703330       3.726900  11.26041       4.357008  160.5915 46.59932 207.6995 45.82397 -47.10794      65.35544 
1 1 1 -14 32 7  o 315.1570 23.63198 23.96841       3.477946  31.33175       4.856879  16.21879       4.982648  358.3600 29.06199 250.9229 43.80733 107.4372       52.57073 
1 1 1 -14 32 8  o 302.8247 31.38314 22.60404       4.405609  22.60404       4.405609  0.000000       0.000000  302.8247 31.38314 ?        ?        0.000000       31.38314 
1 1 1 -13 1  1  o 406.9359 13.15134 38.98909       2.517476  36.55312       3.533036  41.50159       3.588099  393.7927 19.07266 419.6443 18.17665 -25.85159      26.34686 
1 1 1 -13 1  2  o 333.4622 18.83647 26.29509       2.942624  26.07288       3.977973  26.56362       4.373019  331.2716 25.72936 334.0743 28.08783 -2.802734      38.09103 
1 1 1 -13 1  3  o 996.3090 16.86882 233.9142       7.905841  233.1748       11.52194  234.5720       10.86781  993.6577 24.65015 996.8654 23.17587 -3.207642      33.83416 
1 1 1 -13 1  4  o 420.3367 12.67203 41.60598       2.505606  36.86088       3.467719  46.78954       3.624396  395.3654 18.64558 445.5219 17.29408 -50.15643      25.43114 
1 1 1 -13 1  5  o 765.9088 10.13054 138.0945       3.649885  131.1972       4.865547  146.9706       5.519517  746.2498 13.86048 789.7393 14.85758 -43.48956      20.31897 
1 1 1 -13 1  6  o 411.7076 8.667809 39.89743       1.678678  40.47781       2.365576  39.30871       2.382534  414.5412 12.13109 408.4974 12.39882 6.043762       17.34630 
1 1 1 -13 1  7  o 652.0337 9.118065 100.0878       2.796675  95.86871       3.782738  105.1741       4.153386  637.8742 12.60671 668.0563 13.21660 -30.18207      18.26494 
1 1 1 -13 1  8  o 257.8107 9.878022 15.65022       1.197954  16.04767       1.653107  15.21068       1.738439  260.5886 13.53236 253.5776 14.63623 7.010925       19.93349 
1 1 1 -13 1  9  o 854.4427 11.96835 171.9647       4.810459  174.3294       6.024889  167.8062       7.989649  859.9532 14.89378 842.9211 20.14984 17.03210       25.05675 
1 1 1 -13 1  10 o 355.9857 18.06885 29.96433       3.015824  29.96433       3.015824  0.000000       0.000000  355.9857 18.06885 ?        ?        0.000000       18.06885 
1 1 1 -13 1  11 o 552.5735 9.945767 71.86279       2.585221  72.68890       3.702314  71.07671       3.611487  555.5533 14.16701 549.3676 13.97506 6.185730       19.89991 
1 1 1 -13 1  12 o 1050.187 12.46583 259.6331       6.158246  271.6484       9.017460  249.1316       8.430307  1073.709 17.85371 1028.291 17.42843 45.41797       24.95005 
1 1 1 -13 1  13 o 692.3806 11.30175 112.8315       3.680950  108.5949       5.086289  117.4905       5.333827  679.0255 15.92376 706.2814 16.05432 -27.25598      22.61211 
1 1 1 -13 1  14 f 818.7168 18.46493 157.9509       7.111326  160.2259       10.12643  155.7372       9.988851  823.8176 26.13099 812.1945 26.14485 11.62317       36.96460 
1 1 1 -13 1  15 o 391.7830 13.89790 36.14369       2.561321  40.01420       3.772543  32.83387       3.488607  411.9982 19.46568 372.6536 19.97382 39.34460       27.89025 
1 1 1 -13 1  16 o 1104.270 13.96667 287.1809       7.254999  286.3590       10.27543  287.9978       10.24487  1101.961 19.82277 1105.127 19.70722 -3.165649      27.95205 
1 1 1 -13 1  17 o 1269.883 17.30696 380.1459       10.33841  384.8338       13.02887  372.1760       16.98805  1276.864 21.69165 1253.994 28.79910 22.87085       36.05434 
1 1 1 -13 1  18 o 904.7654 15.71554 192.9503       6.688590  188.8228       11.05254  195.3353       8.401680  893.3093 26.30213 909.7924 19.63155 -16.48309      32.82072 
1 1 1 -13 1  19 o 884.0264 14.22915 184.1917       5.917165  185.6352       8.419245  182.7828       8.317945  886.5542 20.18824 879.7326 20.10000 6.821594       28.48816 
1 1 1 -13 1  20 o 776.6252 14.52530 142.2311       5.306471  133.3569       7.326109  152.0255       7.696554  750.9926 20.73808 801.9049 20.40347 -50.91235      29.09243 
1 1 1 -13 1  21 o 355.8088 24.04307 30.17407       4.000554  38.55529       7.974378  27.35526       4.624620  397.0186 43.40606 337.5694 29.41754 59.44922       52.43546 
1 1 1 -13 1  22 o 180.1053 47.03890 8.248665       4.028648  7.164091       5.389157  9.622474       6.065331  171.8608 57.07824 194.5566 60.16065 -22.69576      82.92906 
1 1 1 -13 1  23 o 283.7451 24.09643 19.34117       3.185833  17.29710       4.527013  21.34675       4.484190  264.2818 37.46345 295.6753 32.79265 -31.39349      49.78823 
1 1 1 -13 1  24 o 69.14841 33.24364 -4.440771      3.164304  -6.791733      4.038091  -0.7003568     5.093462  74.08158 36.07262 112.3966 49.51946 -38.31506      61.26509 
1 1 1 -13 1  25 o 139.3436 41.99021 4.957596       2.979830  4.343355       4.316076  5.517038       4.119055  138.4826 50.71261 148.4185 49.91010 -9.935913      71.15326 
1 1 1 -13 1  26 o 204.2343 34.76242 10.60427       3.220061  10.77942       4.702313  10.44961       4.418622  198.9623 50.23413 196.7860 48.13155 2.176300       69.57092 
1 1 1 -13 1  27 o 124.8010 43.78539 3.822414       3.179542  4.257433       4.676953  3.448590       4.335534  136.4674 52.19915 128.1210 49.92122 8.346344       72.22797 
1 1 1 -13 1  28 o 517.3420 29.35357 66.73959       7.114024  67.36029       9.918880  66.08205       10.20888  504.9465 42.14392 497.6037 44.06981 7.342834       60.97752 
1 1 1 -13 1  29 o 137.1026 44.32763 5.127892       3.259503  7.906031       4.628166  2.393810       4.591322  164.4818 52.78311 119.3892 49.60809 45.09252       72.43631 
1 1 1 -13 1  30 o 213.0672 37.22582 12.16601       3.595240  11.06821       4.591360  13.90606       5.780451  193.6438 50.04333 211.4182 56.87812 -17.77437      75.75919 
1 1 1 -13 1  31 o 74.61683 34.92183 -2.133379      3.061895  -10.48696      4.211867  7.229448       4.459044  64.17935 32.18998 153.5893 51.92768 -89.40993      61.09566 
1 1 1 -13 1  32 o 119.7491 42.76702 4.008672       3.045370  5.507531       4.401827  2.632597       4.217680  135.1026 50.88571 112.8620 47.27507 22.24061       69.45708 
1 1 1 -13 1  33 o 119.9378 45.77965 4.220506       3.592569  -1.063020      6.385850  6.667077       4.345459  105.6145 49.74438 141.0196 50.99966 -35.40508      71.24232 
1 1 1 -13 1  34 o 284.3927 39.52997 24.20634       5.145273  31.15339       7.624723  18.39774       6.972034  290.6541 57.80195 203.6852 64.72346 86.96883       86.77668 
1 1 1 -13 1  35 o 128.2909 47.94633 6.255517       3.893216  6.126636       5.407917  6.394174       5.609281  122.4544 52.49373 123.5586 53.22348 -1.104263      74.75513 
1 1 1 -13 3  1  o 982.7324 17.25949 227.6051       7.978706  0.000000       0.000000  227.6051       7.978706  ?        ?        982.7324 17.25949 0.000000       17.25949 
1 1 1 -13 3  2  o 545.6411 14.30065 70.12667       3.670558  68.62966       5.201869  71.61118       5.180106  539.3735 20.50220 551.0060 19.98541 -11.63245      28.63140 
1 1 1 -13 3  3  o 206.8307 20.39004 10.19098       1.958012  3.403686       3.986866  12.34840       2.247760  132.7551 48.72124 227.7586 21.22445 -95.00356      53.14354 
1 1 1 -13 3  4  o 508.1231 11.13806 60.79080       2.662243  58.43162       3.549963  63.82283       4.024486  497.9412 15.15572 520.3155 16.44275 -22.37430      22.36201 
1 1 1 -13 3  5  o 1091.483 16.97196 280.9883       8.714013  280.9883       8.714013  0.000000       0.000000  1091.483 16.97196 ?        ?        0.000000       16.97196 
1 1 1 -13 3  6  o 678.4326 9.535547 108.3617       3.043138  111.1443       4.145599  105.1102       4.481269  686.8172 12.83148 667.7741 14.26600 19.04309       19.18764 
1 1 1 -13 3  7  o 363.0263 8.909494 31.02419       1.521460  29.62891       1.989123  32.99148       2.361924  354.6448 11.92336 374.1492 13.41998 -19.50436      17.95167 
1 1 1 -13 3  8  o 253.6998 10.40769 15.15562       1.242064  16.47771       1.678636  13.55604       1.846413  264.0839 13.55851 239.1674 16.51300 24.91649       21.36615 
1 1 1 -13 3  9  o 932.8062 12.49255 204.9477       5.481658  205.8902       6.808184  203.2105       9.242984  934.5904 15.48605 927.6025 21.18268 6.987854       26.23974 
1 1 1 -13 3  10 o 446.9011 10.92313 47.01572       2.296296  50.47563       3.999634  45.31450       2.804579  462.6817 18.37675 438.6357 13.59235 24.04602       22.85731 
1 1 1 -13 3  11 o 1077.083 12.33283 273.1099       6.248582  278.3388       9.007393  268.2591       8.675603  1086.826 17.61854 1067.002 17.28482 19.82312       24.68154 
1 1 1 -13 3  12 o 1420.338 14.98385 475.0701       10.01116  476.3813       14.17320  473.7646       14.14269  1421.421 21.19708 1417.510 21.20980 3.911133       29.98620 
1 1 1 -13 3  13 o 557.2335 12.82284 73.09625       3.361172  80.85613       6.378635  70.11331       3.954780  585.4847 23.16023 545.6390 15.40805 39.84576       27.81734 
1 1 1 -13 3  14 o 1816.067 18.42382 777.1758       15.73913  795.5948       22.81144  760.4403       21.74391  1835.643 26.41772 1794.801 25.75444 40.84192       36.89427 
1 1 1 -13 3  15 o 861.4100 15.03598 174.7659       6.092716  170.1084       7.153608  187.0690       11.62660  849.6105 17.89930 889.7398 27.77925 -40.12927      33.04650 
1 1 1 -13 3  16 o 375.0714 16.71931 33.15079       2.949861  31.71819       5.036680  33.89877       3.639352  364.9604 29.59272 378.5462 20.51447 -13.58578      36.00796 
1 1 1 -13 3  17 o 707.0369 14.87940 117.7788       4.948765  117.5442       6.380260  118.1332       7.840506  705.9294 19.21356 707.1875 23.56895 -1.258118      30.40816 
1 1 1 -13 3  18 o 304.8122 19.20547 22.01068       2.739681  15.78819       4.030151  27.35679       3.735584  255.5166 34.40445 339.4032 23.54326 -83.88666      41.68875 
1 1 1 -13 3  19 o 638.0255 14.34107 95.95241       4.304165  95.19987       6.228558  96.64022       5.954690  634.7530 20.85996 639.6829 19.78906 -4.929871      28.75317 
1 1 1 -13 3  20 o 362.2956 18.55051 31.08790       3.150860  31.84196       4.700327  30.47251       4.246179  365.1662 27.56645 357.5929 25.40833 7.573364       37.48990 
1 1 1 -13 3  21 o 242.2703 25.77531 14.10390       2.892356  10.59494       4.329332  16.93265       3.887126  204.9736 46.02726 264.3519 31.90419 -59.37827      56.00344 
1 1 1 -13 3  22 o 342.3238 25.18677 28.06263       4.027336  30.56810       4.891241  22.78835       7.096694  356.2233 29.45377 299.3795 52.29562 56.84375       60.01963 
1 1 1 -13 3  23 o 929.0623 15.65212 204.2926       6.840491  217.1771       10.14055  193.5339       9.266287  954.6911 22.58028 901.5989 21.84857 53.09222       31.42021 
1 1 1 -13 3  24 o 111.3800 41.26179 2.516177       2.870870  1.192685       4.351288  3.536404       3.820371  115.4476 48.15903 129.0728 47.64178 -13.62518      67.74239 
1 1 1 -13 3  25 o 340.1768 24.28807 27.97904       3.861025  27.64269       6.867916  28.13447       4.668640  327.1874 45.88476 338.9264 29.57943 -11.73901      54.59262 
1 1 1 -13 3  26 o 144.0802 41.59575 5.434855       2.976310  8.369444       4.607855  3.333996       3.898735  175.0313 52.09690 125.5568 47.74639 49.47448       70.66685 
1 1 1 -13 3  27 o 289.3848 29.51727 20.86559       3.961851  23.12723       7.719509  20.05686       4.616177  282.3510 59.97250 280.0458 35.86567 2.305176       69.87880 
1 1 1 -13 3  28 o 216.5668 32.93916 12.03913       3.249863  20.12389       4.803805  5.216225       4.413023  277.7036 37.75199 141.4045 51.35534 136.2990       63.73840 
1 1 1 -13 3  29 o 146.9162 41.35039 5.925859       2.978496  5.104631       4.232046  6.731884       4.192689  138.4260 50.28858 153.6751 50.31185 -15.24908      71.13525 
1 1 1 -13 3  30 o 231.7485 31.12882 13.86186       3.307703  16.69809       4.649649  10.95589       4.706467  246.7768 41.52885 191.5426 51.23539 55.23416       65.95233 
1 1 1 -13 3  31 o 263.5515 32.46149 18.23630       3.939353  20.69560       6.554500  16.84560       4.928889  256.8521 55.84115 242.3650 44.88547 14.48708       71.64454 
1 1 1 -13 3  32 f 138.1306 47.88626 5.828616       3.797585  2.370393       6.612467  7.530597       4.638894  123.1740 55.20693 151.9437 52.91121 -28.76966      76.46830 
1 1 1 -13 3  33 o 201.1157 43.80176 12.34053       4.026512  11.64685       6.843419  12.70782       4.979692  166.7771 63.29720 192.2814 53.23749 -25.50436      82.70892 
1 1 1 -13 3  34 o 113.3397 47.46031 3.759966       4.248805  11.73603       6.240251  -3.133175      5.801180  162.0281 60.67299 91.94899 44.40100 70.07913       75.18418 
1 1 1 -13 3  35 o 83.34543 40.51841 -3.192628      5.039455  -3.192628      5.039455  0.000000       0.000000  83.34543 40.51841 ?        ?        0.000000       40.51841 
1 1 1 -13 5  1  o 959.2877 14.46544 216.8365       6.527546  187.5743       11.38043  231.1834       7.968661  890.1569 27.17834 990.1538 17.10856 -99.99695      32.11486 
1 1 1 -13 5  2  o 777.9739 14.77042 142.6381       5.405391  0.000000       0.000000  142.6381       5.405391  ?        ?        777.9739 14.77042 0.000000       14.77042 
1 1 1 -13 5  3  o 541.4051 14.14437 69.07501       3.602262  87.60405       8.142493  64.56600       4.016721  607.9270 28.47323 523.2695 16.31837 84.65753       32.81789 
1 1 1 -13 5  4  o 418.9393 10.94514 41.33080       2.156959  40.08894       2.927203  42.80619       3.190589  412.3700 15.09025 426.0602 15.91954 -13.69022      21.93508 
1 1 1 -13 5  5  o 359.5648 10.19533 30.44210       1.724439  30.49108       2.251480  30.37258       2.682098  359.7141 13.30581 358.8705 15.88794 0.8435669      20.72369 
1 1 1 -13 5  6  o 391.8886 9.621261 36.15700       1.773634  34.68762       2.233414  38.66592       2.918406  383.7196 12.37331 404.9511 15.32053 -21.23151      19.69308 
1 1 1 -13 5  7  o 326.9436 9.888885 25.16534       1.520861  28.28181       1.942844  20.23355       2.444046  346.5218 11.91896 292.3029 17.86059 54.21881       21.47236 
1 1 1 -13 5  8  o 576.6888 10.55757 78.29658       2.864011  83.15457       3.527889  68.90607       4.904905  594.1870 12.62183 540.3907 19.29539 53.79620       23.05694 
1 1 1 -13 5  9  o 787.1802 11.94033 145.8905       4.421400  147.5942       5.290433  141.9441       8.051603  791.5970 14.20750 775.5139 22.07107 16.08313       26.24853 
1 1 1 -13 5  10 o 911.8831 12.95414 195.7721       5.556701  213.2283       10.39380  188.7861       6.575242  950.6185 23.24336 895.2635 15.61319 55.35498       28.00046 
1 1 1 -13 5  11 o 973.4894 13.68374 223.1190       6.266214  216.0226       10.48876  227.0575       7.813943  956.9741 23.29994 981.7841 16.91940 -24.81000      28.79502 
1 1 1 -13 5  12 o 884.1473 11.51268 183.9861       4.788177  184.6008       6.784245  183.3759       6.758836  885.3207 16.29039 882.3790 16.28349 2.941772       23.03321 
1 1 1 -13 5  13 o 944.0309 14.05216 209.8279       6.240202  240.2794       12.31726  199.3132       7.237803  1008.950 25.95226 919.8746 16.72664 89.07526       30.87556 
1 1 1 -13 5  14 f 205.1700 18.71704 10.00254       1.786543  10.06825       2.913909  9.962956       2.261451  203.9991 31.37015 204.0852 24.01575 -0.8616638E-01 39.50751 
1 1 1 -13 5  15 o 729.7844 15.12371 125.4457       5.191851  123.9901       6.124848  129.1617       9.786278  725.3243 17.95122 739.2023 28.14394 -13.87799      33.38155 
1 1 1 -13 5  16 o 121.1146 35.56465 3.539034       2.159362  3.552107       3.235833  3.528538       2.899392  128.0905 44.21434 125.3125 41.87518 2.778023       60.89695 
1 1 1 -13 5  17 o 1488.793 16.58920 522.4860       11.61794  530.5117       16.79750  515.1257       16.08606  1498.412 23.83110 1476.712 23.15712 21.70007       33.22911 
1 1 1 -13 5  18 f 245.9262 21.91527 14.40098       2.508684  13.09400       3.902147  15.32175       3.275252  231.6815 37.05359 252.7848 28.01494 -21.10326      46.45218 
1 1 1 -13 5  19 o 741.0877 15.70746 129.5316       5.475765  145.7789       10.37899  123.2651       6.445834  783.8102 28.14978 722.4839 18.96626 61.32635       33.94303 
1 1 1 -13 5  20 o 706.1624 16.57765 117.7290       5.506767  112.6932       10.09019  119.8651       6.571753  687.6199 31.19475 712.0039 19.62138 -24.38403      36.85255 
1 1 1 -13 5  21 o 637.2563 14.84725 95.87919       4.450713  99.27785       6.730059  93.23748       5.933451  646.9536 22.11446 627.4214 20.10383 19.53223       29.88667 
1 1 1 -13 5  22 f 76.19089 34.48042 -1.371919      2.651200  -0.7758235     4.264390  -1.747486      3.384871  103.4436 45.45020 85.78509 38.87881 17.65848       59.81039 
1 1 1 -13 5  23 o 179.6438 38.44695 8.170382       3.150805  7.298881       4.319158  9.161713       4.606536  168.7444 50.48693 187.5903 50.90470 -18.84593      71.69532 
1 1 1 -13 5  24 o 383.4355 19.36073 35.10125       3.480782  28.70712       4.992876  41.14748       4.855151  342.4644 31.34070 413.2003 25.09772 -70.73590      40.15140 
1 1 1 -13 5  25 o 353.8762 20.45681 30.05569       3.390800  32.10874       5.068583  28.39253       4.561962  361.7044 30.06189 340.6099 28.74091 21.09454       41.59035 
1 1 1 -13 5  26 f 212.6532 41.09514 11.83483       3.962085  0.000000       0.000000  11.83483       3.962085  ?        ?        212.6532 41.09514 0.000000       41.09514 
1 1 1 -13 5  27 o 208.1946 32.35246 11.03065       3.065584  16.72598       4.780495  7.052785       3.995204  251.5435 41.87288 160.1170 48.70411 91.42654       64.22949 
1 1 1 -13 5  28 o 208.9136 32.16905 11.18528       3.059918  12.41800       4.422865  10.05355       4.237819  212.1757 45.66653 189.2153 47.64219 22.96036       65.99401 
1 1 1 -13 5  29 o 152.0211 51.10952 6.584322       4.319400  6.584322       4.319400  0.000000       0.000000  152.0211 51.10952 ?        ?        0.000000       51.10952 
1 1 1 -13 5  30 o 95.01031 39.48617 1.229348       2.909690  2.276832       4.146450  0.2131270      4.084105  113.7493 47.19399 100.1198 44.21437 13.62954       64.66980 
1 1 1 -13 5  31 o 227.0191 33.37983 13.68176       3.458212  11.70841       4.713268  15.98290       5.089697  195.1999 50.82952 232.3108 48.15639 -37.11090      70.01913 
1 1 1 -13 5  32 o 161.3162 50.99147 8.434602       4.331818  0.000000       0.000000  8.434602       4.331818  ?        ?        161.3162 50.99147 0.000000       50.99147 
1 1 1 -13 5  33 o 112.4052 44.62608 3.450186       3.521712  1.271403       6.124587  4.526422       4.304509  111.6991 51.25646 122.6463 49.12398 -10.94720      70.99570 
1 1 1 -13 5  34 o 148.6366 50.41791 8.139635       4.203660  9.470869       5.749901  6.611178       6.161125  148.4822 57.59119 129.9966 55.88682 18.48557       80.25012 
1 1 1 -13 5  35 o 88.17211 41.66502 -0.5434008     4.547625  -0.5434008     4.547625  0.000000       0.000000  88.17211 41.66502 ?        ?        0.000000       41.66502 
1 1 1 -13 7  1  o 679.6146 12.63918 108.8050       4.040648  134.3341       9.380631  102.9893       4.477300  753.1409 26.47808 661.0472 14.39840 92.09363       30.13972 
1 1 1 -13 7  2  o 1032.388 22.41735 251.9323       10.88671  0.000000       0.000000  251.9323       10.88671  ?        ?        1032.388 22.41735 0.000000       22.41735 
1 1 1 -13 7  3  o 503.6559 18.75426 59.86921       4.443275  59.86921       4.443275  0.000000       0.000000  503.6559 18.75426 ?        ?        0.000000       18.75426 
1 1 1 -13 7  4  o 415.0792 11.66040 40.57484       2.276740  40.24681       3.092322  40.96314       3.364459  413.1703 15.91059 416.7500 17.16209 -3.579712      23.40266 
1 1 1 -13 7  5  o 224.0239 12.94583 11.86103       1.358434  12.36312       1.787095  11.17388       2.090655  228.3725 16.75233 216.5605 20.77774 11.81201       26.68998 
1 1 1 -13 7  6  o 814.2348 10.96477 156.0850       4.199702  154.5157       5.462869  158.3526       6.566932  809.8517 14.33989 819.5653 17.03372 -9.713623      22.26612 
1 1 1 -13 7  7  o 844.9203 10.86355 168.0456       4.317742  168.6649       5.686266  167.2023       6.635453  846.2227 14.28477 842.3224 16.74645 3.900269       22.01132 
1 1 1 -13 7  8  o 886.1299 12.57105 184.8598       5.240087  185.5988       6.152296  182.9073       10.00049  887.7435 14.73263 880.3254 24.14953 7.418152       28.28869 
1 1 1 -13 7  9  o 552.9845 9.664474 71.95852       2.513972  77.52530       3.479799  65.88101       3.635924  573.8641 12.89068 528.9474 14.61279 44.91669       19.48597 
1 1 1 -13 7  10 o 886.4742 11.28678 184.9474       4.706582  182.6792       6.397998  187.6225       6.948218  880.7769 15.44219 892.5355 16.54926 -11.75861      22.63491 
1 1 1 -13 7  11 o 169.8502 19.03885 6.882309       1.494988  5.915577       2.894870  7.233902       1.745806  155.0497 39.56128 173.8143 21.83395 -18.76456      45.18646 
1 1 1 -13 7  12 o 1019.237 14.11045 244.5832       6.765273  248.1272       11.74271  242.8224       8.276967  1025.576 24.34059 1015.302 17.33032 10.27441       29.87983 
1 1 1 -13 7  13 o 850.7187 11.73171 170.3482       4.694793  165.3686       6.532853  175.6665       6.751420  837.8792 16.57495 863.5701 16.61989 -25.69092      23.47232 
1 1 1 -13 7  14 o 1064.328 13.08884 266.7088       6.553089  269.9131       9.406034  263.6866       9.134849  1070.131 18.68531 1057.754 18.35893 12.37708       26.19525 
1 1 1 -13 7  15 o 415.1107 13.08953 40.57568       2.555978  38.97260       3.924154  41.75694       3.368529  405.9640 20.61661 420.9434 17.01168 -14.97940      26.72904 
1 1 1 -13 7  16 o 835.0593 15.70113 164.3180       6.167618  163.4985       7.195538  166.5874       11.97420  832.6877 18.37011 838.6669 30.35202 -5.979248      35.47825 
1 1 1 -13 7  17 f 567.1453 13.21336 75.76859       3.525146  73.28855       5.300890  77.73498       4.720117  557.2176 20.22342 574.1304 17.47725 -16.91278      26.72903 
1 1 1 -13 7  18 o 239.8836 21.19417 13.70135       2.366986  15.07306       3.881263  12.88910       2.986668  249.4730 33.95569 231.5237 27.99187 17.94923       44.00607 
1 1 1 -13 7  19 o 663.8342 15.68856 103.9632       4.899051  95.09513       9.017095  107.6773       5.835440  632.2700 30.31759 675.2069 18.37247 -42.93695      35.45002 
1 1 1 -13 7  20 o 279.7943 20.35534 18.62593       2.660722  18.56678       4.355642  18.66115       3.360632  276.5009 34.21844 279.0823 25.89375 -2.581421      42.91140 
1 1 1 -13 7  21 o 457.5836 16.33508 49.50073       3.516098  47.85686       5.304778  50.78881       4.695762  447.6341 25.29626 462.6166 21.57822 -14.98251      33.24937 
1 1 1 -13 7  22 o 355.8504 20.87910 30.19618       3.479706  31.19708       4.901974  29.17955       4.940344  359.3970 29.24901 347.0862 30.57079 12.31073       42.30931 
1 1 1 -13 7  23 o 110.9127 44.69959 1.644892       3.588124  0.9128934      4.159131  3.775268       7.095381  111.7820 46.89048 154.4633 62.64436 -42.68126      78.24981 
1 1 1 -13 7  24 o 686.9718 15.54307 111.9701       5.022789  106.8817       7.241923  116.6867       6.972335  667.7120 23.05661 698.6807 21.21437 -30.96869      31.33141 
1 1 1 -13 7  25 o 193.5099 32.68664 9.436594       2.869394  8.168419       4.381559  10.38888       3.796835  174.1538 50.52426 199.4937 41.79783 -25.33997      65.57255 
1 1 1 -13 7  26 o 269.4021 28.10581 17.94679       3.509333  9.509512       6.147448  22.02553       4.274215  182.8198 60.97344 297.1985 31.03078 -114.3787      68.41542 
1 1 1 -13 7  27 o 91.36664 37.90756 0.9034482      2.675192  -1.306580      4.050682  2.613077       3.562707  94.00665 42.57461 115.1294 45.14442 -21.12270      62.05333 
1 1 1 -13 7  28 o 338.8713 24.19955 28.22828       3.832177  23.29357       4.875295  36.20690       6.199173  300.5979 35.14156 375.0217 35.56582 -74.42377      49.99857 
1 1 1 -13 7  29 o 276.6805 25.30865 19.03743       3.257462  21.43969       4.818677  17.01576       4.420525  285.6680 36.70820 252.9613 38.35194 32.70665       53.08826 
1 1 1 -13 7  30 o 128.6594 42.84570 4.547751       3.035898  0.3770152      4.420993  8.269522       4.176268  103.9340 45.94508 166.6101 49.59868 -62.67611      67.60901 
1 1 1 -13 7  31 o 177.8737 44.37413 9.274025       3.700638  10.45779       6.848823  8.785903       4.397920  171.0348 63.65751 167.5777 51.12802 3.457123       81.64774 
1 1 1 -13 7  32 f 244.2718 35.62405 16.44522       3.972959  8.489894       6.722145  20.71589       4.925239  152.4857 61.27770 269.5672 40.05910 -117.0814      73.20989 
1 1 1 -13 7  33 o 135.4693 46.23635 5.973609       3.535503  6.438764       6.083970  5.736434       4.344333  134.6537 56.61018 131.1228 50.27204 3.530945       75.70991 
1 1 1 -13 7  34 o 89.06106 40.95369 0.2507739E-01  3.937854  -0.1502973     5.411805  0.2224138      5.740667  97.67998 45.94204 100.6355 47.32737 -2.955521      65.95871 
1 1 1 -13 7  35 o 116.6914 50.27520 5.505351       5.007028  5.505351       5.007028  0.000000       0.000000  116.6914 50.27520 ?        ?        0.000000       50.27520 
1 1 1 -13 9  1  o 564.5546 10.79103 75.02353       2.865748  77.40217       4.630146  73.54651       3.648571  573.0844 17.17540 558.8239 13.87965 14.26044       22.08255 
1 1 1 -13 9  3  o 875.0563 13.42399 180.3062       5.525695  172.7894       6.980069  192.9251       9.043853  856.2941 17.32876 904.3759 21.25863 -48.08185      27.42654 
1 1 1 -13 9  4  o 510.5034 17.98927 61.41499       4.319979  0.000000       0.000000  61.41499       4.319979  ?        ?        510.5034 17.98927 0.000000       17.98927 
1 1 1 -13 9  5  o 361.8427 10.65864 30.81415       1.814223  31.31724       2.170079  29.64626       3.306384  364.7380 12.64809 354.0849 19.93181 10.65317       23.60617 
1 1 1 -13 9  6  f 1011.801 11.87519 240.9588       5.652035  236.5437       6.438242  255.7967       11.80282  1002.372 13.65429 1041.319 24.09531 -38.94659      27.69519 
1 1 1 -13 9  7  o 1516.881 36.15826 544.5898       25.80051  0.000000       0.000000  544.5898       25.80051  ?        ?        1516.881 36.15826 0.000000       36.15826 
1 1 1 -13 9  8  o 921.5284 11.64977 199.8616       5.050045  195.6483       6.478610  206.3861       8.061909  911.5679 15.10857 936.0172 18.30985 -24.44922      23.73857 
1 1 1 -13 9  9  o 903.9123 13.65831 192.3372       5.807544  192.3306       8.875575  192.3421       7.679802  903.3804 20.88606 903.6345 18.06708 -0.2540894     27.61606 
1 1 1 -13 9  10 o 388.5615 11.79994 35.53377       2.156795  36.09406       2.602272  34.30440       3.854679  391.5577 14.12823 380.8806 21.60338 10.67709       25.81304 
1 1 1 -13 9  11 o 550.2232 21.80717 71.37337       5.644265  71.37337       5.644265  0.000000       0.000000  550.2232 21.80717 ?        ?        0.000000       21.80717 
1 1 1 -13 9  12 o 1024.830 14.64221 247.3099       7.058749  234.5422       11.87703  254.2825       8.777038  996.8868 25.32752 1038.876 17.96036 -41.98901      31.04928 
1 1 1 -13 9  13 o 650.4717 11.21348 99.59028       3.431136  96.24027       4.853606  102.9369       4.851113  639.1849 16.14242 661.0823 15.59971 -21.89734      22.44836 
1 1 1 -13 9  14 o 642.9525 11.50680 97.31323       3.480188  99.38769       5.120573  95.53239       4.744386  649.4553 16.76100 636.7967 15.83835 12.65863       23.06045 
1 1 1 -13 9  15 o 325.7476 15.20949 24.99988       2.330586  26.99592       3.660006  23.63853       3.022602  337.3342 23.20609 315.8838 20.45133 21.45044       30.93185 
1 1 1 -13 9  16 o 541.3011 12.88314 69.01133       3.280422  76.09093       5.140353  64.14704       4.260870  567.9034 19.24195 521.5800 17.36633 46.32343       25.91992 
1 1 1 -13 9  17 o 552.3555 12.99708 71.87746       3.377020  74.23837       5.254801  70.21635       4.407743  560.7307 19.92199 545.6005 17.17403 15.13013       26.30272 
1 1 1 -13 9  18 o 641.1005 13.20863 96.86715       3.983393  110.9200       6.479707  88.33005       5.050434  685.1115 20.10596 611.7216 17.55115 73.38989       26.68881 
1 1 1 -13 9  19 o 557.1225 14.00607 73.20845       3.670594  73.88935       5.723768  72.73283       4.783787  558.5964 21.78285 554.7549 18.33164 3.841431       28.47001 
1 1 1 -13 9  20 o 361.4625 18.65808 31.00221       3.161664  37.84186       7.231843  29.38603       3.515417  393.8296 39.57195 351.4044 21.36816 42.42523       44.97263 
1 1 1 -13 9  21 o 300.9029 19.57855 21.56457       2.756170  24.77980       4.701841  19.88138       3.401947  319.5941 31.69310 287.6215 25.40532 31.97256       40.61875 
1 1 1 -13 9  22 o 121.9486 38.11002 3.628721       2.426672  1.828261       4.139396  4.571507       2.995377  118.4249 47.91101 136.0094 42.31415 -17.58450      63.92145 
1 1 1 -13 9  23 o 328.6197 20.18600 25.83244       3.105317  27.29839       4.932164  24.86970       3.996983  333.8226 31.79301 320.3861 26.76611 13.43649       41.55983 
1 1 1 -13 9  24 o 308.3752 27.81745 23.22253       3.991767  21.61397       4.611225  28.03211       7.973534  294.8339 33.86287 323.8763 54.25519 -29.04242      63.95561 
1 1 1 -13 9  25 o 265.6012 27.45512 17.34819       3.380718  18.70095       6.620802  16.87109       3.931954  259.7460 55.84716 259.4580 32.95973 0.2880554      64.84790 
1 1 1 -13 9  26 o 330.2604 20.83526 26.36971       3.220274  25.25391       4.949484  27.18877       4.240570  316.3297 33.78475 332.1458 27.38516 -15.81616      43.48973 
1 1 1 -13 9  27 o 197.6956 37.44091 10.25458       3.354392  13.55826       6.517318  9.064042       3.912389  211.4825 61.69643 181.3367 45.84119 30.14580       76.86263 
1 1 1 -13 9  28 o 190.5597 34.31584 9.464217       2.962930  11.18059       4.399573  8.039658       4.008158  199.3482 47.57786 168.4933 48.15960 30.85483       67.69785 
1 1 1 -13 9  29 o 375.1596 21.37710 34.42138       3.756923  31.70155       5.302377  37.16331       5.323872  351.3979 32.44395 383.1253 29.77434 -31.72733      44.03546 
1 1 1 -13 9  30 o 332.4821 29.36688 28.26365       4.545774  25.85820       5.410532  34.03687       8.382075  309.9903 37.89305 334.6051 55.17728 -24.61481      66.93591 
1 1 1 -13 9  31 o 292.7086 28.80698 22.15263       3.915068  27.78538       7.517058  20.05597       4.586194  294.8050 56.25809 270.8737 36.95736 23.93127       67.31136 
1 1 1 -13 9  32 o 463.0403 23.54771 54.25115       5.112144  40.99287       8.471272  61.84492       6.411120  358.5003 51.72992 487.3055 28.08711 -128.8051      58.86315 
1 1 1 -13 9  33 o 153.7910 59.96827 10.02378       6.259861  0.000000       0.000000  10.02378       6.259861  ?        ?        153.7910 59.96827 0.000000       59.96827 
1 1 1 -13 9  34 o 89.47574 40.52643 0.6535568      3.671311  -0.1174792     4.766941  1.777646       5.755762  93.10369 43.57380 104.9831 48.71252 -11.87946      65.35737 
1 1 1 -13 11 1  o 1190.935 15.45973 333.9274       8.660830  349.2866       16.59707  328.1800       10.15278  1216.478 29.00400 1180.406 18.28455 36.07251       34.28639 
1 1 1 -13 11 2  o 407.9060 27.99669 39.44709       5.339483  39.44709       5.339483  0.000000       0.000000  407.9060 27.99669 ?        ?        0.000000       27.99669 
1 1 1 -13 11 3  o 1161.621 12.96453 317.5966       7.084193  343.9238       10.90377  298.3661       9.318983  1208.300 19.18372 1125.568 17.60061 82.73193       26.03452 
1 1 1 -13 11 4  o 1489.134 15.70746 522.0992       11.00295  535.7126       13.25794  491.9739       19.72237  1508.101 18.68858 1443.741 29.04027 64.35974       34.53404 
1 1 1 -13 11 5  o 214.8902 14.76011 10.92219       1.482977  11.86677       1.761197  8.620690       2.749137  223.8544 16.84883 188.4386 32.16867 35.41585       36.31400 
1 1 1 -13 11 6  o 800.3663 10.98546 150.7427       4.135960  148.8210       4.704518  157.2830       8.678923  795.1857 12.57701 816.8790 22.58597 -21.69324      25.85164 
1 1 1 -13 11 7  o 908.7151 13.44308 194.3697       5.746398  182.9424       6.556041  232.2533       11.93699  881.4684 15.81123 992.3348 25.57216 -110.8664      30.06544 
1 1 1 -13 11 8  o 994.5085 12.61104 232.7878       5.899682  232.2965       7.461070  233.6074       9.637379  993.2492 15.96885 995.6794 20.57643 -2.430237      26.04599 
1 1 1 -13 11 9  f 1290.751 14.37277 392.2310       8.726747  400.7028       11.83184  382.1243       12.92323  1304.114 19.28711 1273.246 21.57692 30.86841       28.94056 
1 1 1 -13 11 10 o 404.2563 11.89242 38.46444       2.261498  38.72233       2.678107  37.82353       4.221959  405.5529 14.03819 399.8774 22.53678 5.675476       26.55140 
1 1 1 -13 11 11 o 571.5178 12.76021 76.89192       3.430496  76.99168       5.168566  76.81337       4.586356  571.5696 19.22346 571.0274 17.07424 0.5421753      25.71131 
1 1 1 -13 11 12 o 1017.052 15.07248 243.6174       7.211031  241.1118       12.19284  244.9652       8.942614  1010.525 25.65006 1019.499 18.64697 -8.973938      31.71175 
1 1 1 -13 11 13 o 1227.573 14.10123 354.8932       8.142799  365.9738       11.76184  344.6942       11.28431  1245.760 20.07111 1209.037 19.84112 36.72363       28.22268 
1 1 1 -13 11 14 o 572.3079 18.47517 77.22949       4.973791  0.000000       0.000000  77.22949       4.973791  ?        ?        572.3079 18.47517 0.000000       18.47517 
1 1 1 -13 11 15 o 490.4731 12.57721 56.65566       2.901809  55.37270       4.376297  57.66234       3.876554  484.4626 19.20336 494.5650 16.66300 -10.10239      25.42488 
1 1 1 -13 11 16 o 771.7952 14.30856 140.3803       5.194783  157.1344       10.07997  134.3214       6.061762  814.6321 26.30441 754.6381 17.07618 59.99402       31.36109 
1 1 1 -13 11 17 f 230.1250 35.55765 12.91996       3.725084  12.91996       3.725084  0.000000       0.000000  230.1250 35.55765 ?        ?        0.000000       35.55765 
1 1 1 -13 11 18 o 526.2607 14.73728 65.33880       3.648275  63.34721       7.363686  65.98669       4.199978  514.7204 30.54945 528.6101 16.89049 -13.88971      34.90784 
1 1 1 -13 11 19 o 235.1873 19.88417 13.19014       2.179224  19.10319       3.974674  10.64863       2.605803  281.1599 30.54369 209.7917 27.03385 71.36816       40.78904 
1 1 1 -13 11 20 o 685.9500 14.00041 111.1273       4.517546  112.8046       7.152792  110.0142       5.826743  688.9991 22.06925 681.5429 18.17454 7.456177       28.58961 
1 1 1 -13 11 21 o 176.7594 29.48371 7.699400       2.365155  8.288193       4.198472  7.425684       2.862597  179.2939 48.57455 171.7376 36.55636 7.556290       60.79354 
1 1 1 -13 11 22 o 263.3253 20.70231 16.62176       2.543694  21.47146       4.455890  14.27731       3.098110  295.7422 32.56955 242.0718 27.70615 53.67044       42.75987 
1 1 1 -13 11 23 o 117.1897 36.89988 3.383909       2.270210  1.088879       4.167932  4.352025       2.707011  112.1504 46.98714 131.3913 40.11811 -19.24088      61.78394 
1 1 1 -13 11 24 o 101.8123 45.41300 -0.9655976     4.417173  3.629608       5.794090  -7.342450      6.825524  141.3184 56.85519 103.6545 49.56472 37.66389       75.42662 
1 1 1 -13 11 25 o 118.2242 38.83562 3.475821       2.497343  5.712418       4.206259  2.258192       3.103556  148.2609 50.43280 109.1309 42.31594 39.12998       65.83392 
1 1 1 -13 11 26 o 290.1677 22.75173 20.51180       3.080622  16.00199       4.687580  23.94035       4.087187  246.0798 42.00275 310.8023 28.26467 -64.72250      50.62729 
1 1 1 -13 11 27 o 418.7687 20.34407 42.35203       4.007574  38.79951       5.509495  46.34365       5.840070  393.9296 29.95646 431.5298 28.93743 -37.60028      41.65050 
1 1 1 -13 11 28 o 481.0392 18.20267 55.74702       4.118936  48.26460       5.954179  62.61382       5.703982  438.8835 29.00407 505.4075 23.99204 -66.52399      37.64112 
1 1 1 -13 11 29 o 218.2254 31.47032 12.31835       3.137161  15.17425       4.931528  10.37700       4.065942  230.7802 47.02309 190.6006 45.89754 40.17964       65.70963 
1 1 1 -13 11 30 o 100.5278 41.56190 1.679173       3.199606  4.690845       6.154054  0.5634846      3.745664  136.8025 57.18753 97.77605 42.78679 39.02642       71.42215 
1 1 1 -13 11 31 o 170.9706 50.83450 9.373089       4.388968  0.000000       0.000000  9.373089       4.388968  ?        ?        170.9706 50.83450 0.000000       50.83450 
1 1 1 -13 11 32 o 117.3002 46.64192 3.876580       3.852584  3.284780       5.506305  4.444115       5.392239  118.7874 51.93190 124.7531 52.91573 -5.965752      74.14173 
1 1 1 -13 11 33 o 312.3722 33.09002 27.41182       4.788232  21.79251       6.158785  35.99881       7.613327  246.3424 54.58395 324.4269 51.61631 -78.08449      75.12424 
1 1 1 -13 13 1  o 776.4786 13.20160 141.9007       4.821980  123.6326       8.783238  149.7822       5.769135  724.1041 25.78602 797.6571 15.37535 -73.55304      30.02200 
1 1 1 -13 13 2  o 1877.746 18.53227 830.3969       16.36947  798.8071       22.25343  867.6448       24.16431  1840.563 25.70259 1918.022 26.78252 -77.45898      37.12044 
1 1 1 -13 13 3  o 757.6028 15.26457 135.1199       5.439955  0.000000       0.000000  135.1199       5.439955  ?        ?        757.6028 15.26457 0.000000       15.26457 
1 1 1 -13 13 4  o 740.5955 11.43484 129.0715       3.983642  130.7300       4.791056  125.3567       7.170466  745.2541 13.66651 729.4102 20.89808 15.84393       24.97004 
1 1 1 -13 13 5  o 169.5228 19.93592 6.863483       1.559399  7.099281       1.766614  6.031511       3.318383  172.1219 22.34633 157.1569 43.43827 14.96506       48.84917 
1 1 1 -13 13 6  o 60.47024 27.16586 -0.7902806     1.610985  -0.7902806     1.610985  0.000000       0.000000  60.47024 27.16586 ?        ?        0.000000       27.16586 
1 1 1 -13 13 7  o 565.6851 10.58820 75.30305       2.817515  72.66042       3.061112  89.95245       7.207281  555.6387 11.71163 617.5518 24.81011 -61.91309      27.43545 
1 1 1 -13 13 8  o 456.7166 10.94128 49.08924       2.350630  51.66029       2.601074  37.63377       5.490399  468.5019 11.80245 398.0816 29.53040 70.42035       31.80161 
1 1 1 -13 13 9  o 735.4011 11.85350 127.2934       4.100533  130.0588       4.992441  121.5599       7.188529  743.2235 14.27987 718.0646 21.28174 25.15894       25.62864 
1 1 1 -13 13 10 o 500.6091 13.97185 59.00845       3.290198  57.10464       4.090701  62.49660       5.537117  492.3054 17.66420 514.7182 22.86888 -22.41284      28.89653 
1 1 1 -13 13 11 o 114.1061 30.87769 3.182280       1.697707  1.592526       1.899096  9.507917       3.788209  91.75275 33.63321 196.2974 42.27468 -104.5446      54.02168 
1 1 1 -13 13 12 o 735.1344 14.64549 127.2933       5.064540  121.6112       8.092537  130.9515       6.493328  717.6631 23.97148 745.2980 18.52115 -27.63495      30.29298 
1 1 1 -13 13 13 o 300.0913 15.39845 21.27480       2.166381  22.05533       3.023388  20.45119       3.105723  304.9701 21.20690 293.4348 22.67593 11.53537       31.04723 
1 1 1 -13 13 14 o 211.2796 19.94044 10.62821       1.958372  10.19649       2.848926  11.01495       2.696470  205.2167 30.43437 213.9961 27.41723 -8.779465      40.96285 
1 1 1 -13 13 15 o 274.3813 15.62399 17.80813       2.008238  15.63509       3.170301  19.26446       2.595358  255.5361 26.77168 284.9884 19.47647 -29.45232      33.10673 
1 1 1 -13 13 16 o 507.1157 12.61538 60.60179       3.009377  68.51167       4.861823  55.68891       3.831621  538.5189 19.19238 485.7695 16.76806 52.74933       25.48560 
1 1 1 -13 13 17 o 654.7150 14.42138 101.1239       4.441488  109.0071       8.412853  98.07764       5.229702  677.3606 26.40305 644.3597 17.25358 33.00085       31.54056 
1 1 1 -13 13 18 o 286.8128 16.88626 19.51085       2.268198  18.63814       4.166029  19.87853       2.704121  277.1499 32.57645 289.0320 20.01205 -11.88205      38.23228 
1 1 1 -13 13 19 o 211.3066 20.78018 10.69622       2.038818  10.06818       4.077717  10.90555       2.354208  199.1160 44.63847 212.7602 23.93834 -13.64427      50.65212 
1 1 1 -13 13 20 o 447.7236 15.30579 47.42421       3.223555  47.17105       5.104414  47.59216       4.157510  443.8511 24.54310 447.6496 19.74358 -3.798431      31.49877 
1 1 1 -13 13 21 o 386.4338 17.15983 35.43117       3.119302  37.33651       7.182806  34.98831       3.462886  387.5438 39.97471 383.1083 19.27692 4.435486       44.37992 
1 1 1 -13 13 22 o 350.8396 16.83195 29.24072       2.777873  36.96206       5.105668  25.99395       3.310793  390.1244 28.00788 329.0928 21.50497 61.03159       35.31154 
1 1 1 -13 13 23 o 590.3812 19.29980 83.24994       5.359873  0.000000       0.000000  83.24994       5.359873  ?        ?        590.3812 19.29980 0.000000       19.29980 
1 1 1 -13 13 24 o 430.7064 20.63350 44.52256       4.180454  44.08443       7.656002  44.70868       4.990028  416.1223 39.58928 429.0373 24.83130 -12.91495      46.73227 
1 1 1 -13 13 25 o 135.3671 47.02792 4.609471       3.663599  6.352342       4.282991  -0.1431629     7.072645  154.0687 50.87067 128.8113 57.45948 25.25746       76.74253 
1 1 1 -13 13 26 o 216.9106 26.88361 11.69506       2.684296  7.372459       4.203220  14.67226       3.488294  163.0854 50.02394 241.0278 31.52161 -77.94241      59.12704 
1 1 1 -13 13 27 o 519.7941 16.83515 64.76408       4.116400  59.98693       6.243099  68.43824       5.475143  492.3599 27.05937 530.8773 21.92462 -38.51736      34.82669 
1 1 1 -13 13 28 o 92.63757 38.85844 0.9262748      2.856146  4.176576       6.167962  0.3908999E-01  3.222456  138.9172 57.59161 90.50338 39.64309 48.41378       69.91686 
1 1 1 -13 13 29 f 353.1501 23.95163 30.97431       3.955381  28.25506       7.663303  31.96181       4.618070  305.2714 55.40607 355.5103 27.83695 -50.23889      62.00588 
1 1 1 -13 13 30 o 351.9715 24.49058 31.12727       4.029600  32.72890       7.472744  30.47060       4.784883  331.2091 49.48028 342.8868 29.96648 -11.67770      57.84711 
1 1 1 -13 13 31 o 128.6547 49.76651 4.949282       4.284684  6.739002       6.228280  3.341261       5.903661  141.9304 58.25800 122.9341 53.75817 18.99630       79.27128 
1 1 1 -13 13 32 o 134.0415 47.31470 5.932363       3.717050  0.4164685      4.898628  13.41855       5.706856  100.4377 45.99720 186.4294 58.47271 -85.99175      74.39623 
1 1 1 -13 15 1  f 223.1488 19.35425 11.81857       2.011489  14.86326       5.023994  11.23733       2.195108  246.5693 44.97232 217.2801 21.76950 29.28923       49.96419 
1 1 1 -13 15 2  o 840.3481 16.42126 166.2897       6.491349  0.000000       0.000000  166.2897       6.491349  ?        ?        840.3481 16.42126 0.000000       16.42126 
1 1 1 -13 15 3  o 929.5198 11.86248 203.3426       5.186848  202.7525       7.311642  203.9405       7.359210  927.8816 16.75148 930.5919 16.81135 -2.710266      23.73254 
1 1 1 -13 15 4  o 1369.418 16.85848 441.6505       10.85985  452.3936       13.59536  422.7111       18.05136  1385.494 20.86012 1338.081 28.67862 47.41235       35.46277 
1 1 1 -13 15 5  o 828.1586 12.20528 161.4269       4.754780  153.9509       5.265250  194.4709       11.06955  808.6720 13.84131 907.8416 25.92092 -99.16962      29.38496 
1 1 1 -13 15 6  o 244.8770 16.45329 14.18653       1.884261  15.35855       2.088260  9.051724       4.370974  254.7399 17.53360 191.3858 48.49268 63.35411       51.56517 
1 1 1 -13 15 7  o 625.8869 11.11850 92.19693       3.273494  91.50159       3.609161  95.42213       7.772937  623.4762 12.30600 635.8087 25.98899 -12.33252      28.75527 
1 1 1 -13 15 8  o 874.2390 11.80784 179.9052       4.855901  178.1607       5.350725  188.0500       11.56155  869.9120 13.07579 892.2415 27.54638 -22.32947      30.49228 
1 1 1 -13 15 9  o 1927.275 19.03942 875.5721       17.26103  863.1707       19.37397  923.3057       38.00962  1912.985 21.52969 1971.172 40.99205 -58.18677      46.30200 
1 1 1 -13 15 10 o 737.4022 14.81993 128.0819       5.140672  145.2438       7.252997  110.7580       7.287140  784.8152 19.64630 685.0529 22.61329 99.76239       29.95560 
1 1 1 -13 15 11 o 811.2358 12.72662 154.9728       4.856569  150.8779       5.777248  164.8381       8.967096  800.2278 15.34752 835.5482 22.81450 -35.32031      27.49632 
1 1 1 -13 15 12 o 350.8323 14.99160 29.00372       2.474098  28.15965       2.840385  31.65787       5.036779  345.1266 17.55350 364.3622 29.64367 -19.23553      34.45102 
1 1 1 -13 15 13 o 752.3540 18.28736 133.5597       6.472061  131.8074       8.647908  135.7907       9.758072  746.4313 24.62929 757.1060 27.39921 -10.67474      36.84180 
1 1 1 -13 15 14 o 526.5906 12.49870 65.33462       3.096044  65.38068       4.174883  65.27833       4.615069  526.4002 16.86006 525.8008 18.65897 0.5993652      25.14793 
1 1 1 -13 15 15 o 631.7704 12.58563 94.07272       3.740275  86.81423       4.985535  103.4179       5.656950  606.3216 17.47992 661.6597 18.17517 -55.33813      25.21675 
1 1 1 -13 15 16 o 633.3842 12.65092 94.59161       3.769284  99.69135       5.717792  90.67210       5.012679  649.2765 18.72101 619.4709 17.20203 29.80554       25.42412 
1 1 1 -13 15 17 o 194.9052 21.63633 9.119413       1.950226  6.467003       3.634760  10.19169       2.311051  160.6130 45.84571 205.6554 24.36274 -45.04242      51.91697 
1 1 1 -13 15 18 o 563.8723 18.72946 75.34847       4.967928  72.54639       5.643977  84.98811       10.46827  552.5750 21.71325 590.9534 37.85663 -38.37842      43.64161 
1 1 1 -13 15 19 o 78.41574 31.72684 0.6738952      1.815322  1.751861       3.870049  0.3698071      2.055482  115.2828 46.43593 79.30712 33.09285 35.97563       57.02133 
1 1 1 -13 15 20 o 461.6711 16.10383 50.51727       3.497287  64.83353       8.190767  47.32533       3.867562  515.2486 33.98476 446.3214 18.42130 68.92715       38.65628 
1 1 1 -13 15 21 o 89.30701 32.98568 1.576846       1.831988  1.707202       4.012208  1.542510       2.059177  115.2224 46.96463 91.66452 34.73764 23.55789       58.41559 
1 1 1 -13 15 22 o 285.7032 20.29982 19.60921       2.710446  13.64447       6.342735  20.94178       2.997964  221.4809 59.57818 294.8412 21.76964 -73.36035      63.43088 
1 1 1 -13 15 23 o 379.4080 18.12398 34.36347       3.234664  42.68728       7.631343  32.54048       3.571353  409.7592 40.10577 367.8281 20.72487 41.93109       45.14413 
1 1 1 -13 15 24 o 415.9298 16.63638 41.25761       3.254979  37.67426       5.204306  43.55994       4.171591  391.3940 28.46184 425.7155 20.83114 -34.32150      35.27057 
1 1 1 -13 15 25 o 77.07303 33.39025 -0.5788798E-01 2.233302  -4.134443      3.847617  2.013353       2.742588  79.15621 37.67300 102.9283 39.81574 -23.77213      54.81376 
1 1 1 -13 15 26 o 65.43460 30.39668 -1.704935      2.251024  -1.525945      3.938811  -1.791749      2.743133  91.40195 41.62354 73.31387 33.88021 18.08807       53.66925 
1 1 1 -13 15 27 o 314.6324 20.71931 24.09883       3.049376  20.18076       4.940151  26.51059       3.875885  276.2428 39.11000 327.3582 25.36781 -51.11539      46.61671 
1 1 1 -13 15 28 o 163.4531 35.31852 7.148703       2.636302  4.292938       4.221348  8.974682       3.375498  130.0852 49.63122 180.3578 40.74713 -50.27252      64.21516 
1 1 1 -13 15 29 o 144.4879 41.53058 5.945550       2.972862  3.052913       5.514331  7.130757       3.529743  125.0946 53.29984 155.9087 45.38155 -30.81414      70.00256 
1 1 1 -13 15 30 o 106.1430 41.01130 2.735873       2.907132  6.236624       5.508948  1.384722       3.422474  140.9759 55.86322 98.60197 42.00064 42.37392       69.89101 
1 1 1 -13 15 31 o 100.7042 42.16158 2.029183       3.352179  5.231867       4.837178  -0.9301428     4.649769  129.1336 51.95012 94.25016 43.75028 34.88342       67.91835 
1 1 1 -13 17 1  o 621.9531 13.69015 91.06908       4.005301  92.80619       8.034903  90.49470       4.620275  626.9681 27.24369 619.8878 15.84476 7.080322       31.51626 
1 1 1 -13 17 2  o 1067.838 13.00561 268.4314       6.532893  271.7654       9.293048  265.1740       9.185699  1073.975 18.39478 1060.870 18.40690 13.10522       26.02272 
1 1 1 -13 17 3  o 413.0778 11.74812 40.16285       2.282809  37.64018       2.943918  43.96735       3.615296  399.7797 15.65438 431.9932 17.79089 -32.21353      23.69758 
1 1 1 -13 17 4  o 310.6057 13.32346 22.71370       1.946685  20.01287       2.411365  27.76779       3.298647  290.9087 17.70550 342.5822 20.56442 -51.67355      27.13632 
1 1 1 -13 17 5  o 554.4445 13.93923 72.38488       3.635515  72.38488       3.635515  0.000000       0.000000  554.4445 13.93923 ?        ?        0.000000       13.93923 
1 1 1 -13 17 6  o 896.6872 12.67309 189.3005       5.345553  189.1327       6.055420  189.8930       11.37830  896.1632 14.36441 896.5218 26.98033 -0.3585815     30.56591 
1 1 1 -13 17 7  o 618.1384 11.55158 89.94833       3.358895  87.50270       3.672354  102.4673       8.308722  609.6157 12.80617 658.4822 26.82384 -48.86658      29.72400 
1 1 1 -13 17 8  o 452.6700 11.69346 48.24220       2.489969  49.97767       2.713725  39.00119       6.262053  460.7072 12.52194 404.2867 33.22128 56.42050       35.50285 
1 1 1 -13 17 9  o 813.3464 13.37689 155.8117       5.117998  154.1300       5.804922  161.6825       10.84608  808.7745 15.25807 826.5894 27.89419 -17.81482      31.79457 
1 1 1 -13 17 10 o 254.8172 14.66394 15.35116       1.750299  14.30444       1.832323  26.26338       5.916213  245.8284 15.93106 329.8041 38.88186 -83.97571      42.01902 
1 1 1 -13 17 11 o 655.0647 11.24423 101.0531       3.464839  105.8144       3.987725  86.38459       6.999261  670.2087 12.64870 604.2302 24.62524 65.97852       27.68378 
1 1 1 -13 17 12 o 592.3292 13.07210 82.68009       3.642316  83.41161       4.242454  80.62922       7.103542  594.7462 15.16408 583.3011 25.88885 11.44507       30.00304 
1 1 1 -13 17 13 o 179.9714 36.78138 8.022484       3.008725  7.934008       3.823542  8.166352       4.875688  177.9488 45.49993 181.3027 53.49851 -3.353928      70.23058 
1 1 1 -13 17 14 o 292.8438 28.08735 20.58715       3.821689  20.41320       4.583443  20.98395       6.922574  290.1801 34.23732 288.7120 52.92251 1.468079       63.03163 
1 1 1 -13 17 15 o 171.1341 29.51403 7.181071       2.290114  9.866885       2.986368  3.346843       3.568159  200.5214 32.79406 127.3798 46.19122 73.14167       56.64874 
1 1 1 -13 17 16 o 83.90621 34.66840 0.5291669      2.224256  -5.564804      4.185237  2.927848       2.625767  80.83483 38.69530 114.9699 39.82072 -34.13504      55.52491 
1 1 1 -13 17 17 o 240.3367 20.71968 13.81675       2.319570  12.24316       3.532970  15.00898       3.075198  222.6484 34.87797 249.2608 26.63962 -26.61238      43.88784 
1 1 1 -13 17 18 o 85.37763 32.39387 1.285311       1.792040  -2.270211      3.464053  2.584572       2.094021  83.87754 38.51123 105.9435 35.58628 -22.06599      52.43566 
1 1 1 -13 17 19 o 91.81170 33.34378 1.723378       1.860340  1.077178       3.797216  1.927467       2.133990  108.8052 45.15442 97.48238 35.66484 11.32278       57.54044 
1 1 1 -13 17 20 o 404.7853 14.68501 38.82652       2.796201  36.18215       4.710946  40.26489       3.474429  386.8778 26.03750 411.4601 17.95091 -24.58231      31.62573 
1 1 1 -13 17 21 o 202.2716 21.74766 9.907095       2.036763  7.976343       3.949233  10.60674       2.377320  173.6897 47.13346 208.5286 24.71663 -34.83893      53.22101 
1 1 1 -13 17 22 o 234.4421 20.86417 13.26921       2.276895  24.04281       6.197370  11.58806       2.448106  304.4881 44.58939 217.9490 24.29172 86.53912       50.77697 
1 1 1 -13 17 23 o 301.4977 17.79738 21.77440       2.512927  17.92742       4.297015  23.77390       3.097897  266.4818 35.13594 313.9547 21.09893 -47.47293      40.98413 
1 1 1 -13 17 24 o 83.57150 33.26839 1.034892       1.962092  1.100071       3.709344  1.009570       2.312023  105.5527 44.28020 88.12931 35.75327 17.42338       56.91249 
1 1 1 -13 17 25 o 382.8780 17.84781 35.13550       3.214509  30.80508       4.900222  38.40666       4.258940  351.5599 29.91545 397.3302 22.88342 -45.77032      37.66411 
1 1 1 -13 17 26 o 198.5750 42.20208 10.69111       3.820574  12.78321       4.538241  5.600476       7.079171  214.9272 46.25801 153.0127 62.37756 61.91451       77.65798 
1 1 1 -13 17 27 o 277.1380 22.23274 18.87770       2.874001  10.65881       4.329197  25.35420       3.843004  192.6891 47.95320 319.1165 25.82206 -126.4274      54.46364 
1 1 1 -13 17 28 o 343.6773 21.69072 29.09580       3.488673  25.62129       6.115817  30.77174       4.247523  302.0603 44.36375 350.0910 25.97727 -48.03073      51.40974 
1 1 1 -13 17 29 o 201.0018 40.99784 11.49583       3.745065  0.000000       0.000000  11.49583       3.745065  ?        ?        201.0018 40.99784 0.000000       40.99784 
1 1 1 -13 17 30 o 119.9737 43.53344 4.162743       3.170090  1.519917       4.438640  6.914388       4.529099  105.6138 46.38743 144.3192 52.08559 -38.70538      69.74742 
1 1 1 -13 19 1  o 664.9847 11.96158 104.1080       3.741704  109.6108       5.593488  99.65131       5.033792  681.9610 17.43628 650.3143 16.45518 31.64673       23.97492 
1 1 1 -13 19 2  o 1092.813 13.35078 281.2339       6.863121  301.4048       10.20119  264.5544       9.276422  1130.581 19.18137 1059.294 18.61636 71.28760       26.73002 
1 1 1 -13 19 3  o 363.4872 12.74244 31.11157       2.178767  32.27069       2.837969  29.44774       3.400156  370.0596 16.30297 352.7087 20.58276 17.35089       26.25713 
1 1 1 -13 19 4  o 708.3467 11.67551 118.1337       3.890370  114.2028       5.095749  123.6264       6.023530  696.1864 15.56013 724.1498 17.68289 -27.96338      23.55424 
1 1 1 -13 19 5  o 152.0470 25.86053 5.616559       1.783402  7.812638       1.959614  -4.973247      4.303191  180.3304 23.67304 85.50603 40.44318 94.82432       46.86217 
1 1 1 -13 19 6  o 723.2868 12.24242 123.2001       4.165307  124.2922       4.740387  119.5006       8.724937  726.3546 13.87381 710.7503 26.09612 15.60425       29.55487 
1 1 1 -13 19 7  o 423.0414 14.28384 42.17124       2.842478  41.72925       3.178599  43.93579       6.351082  420.7148 16.06122 429.0957 31.68895 -8.380829      35.52679 
1 1 1 -13 19 8  o 133.5523 33.86465 4.405979       2.130527  4.809534       2.368690  2.696492       4.875166  139.4905 35.89117 134.6960 52.81124 4.794495       63.85298 
1 1 1 -13 19 9  o 736.2631 11.46341 127.6825       3.970233  128.7677       4.340036  122.1165       9.829169  739.2866 12.47990 717.2221 29.13358 22.06451       31.69406 
1 1 1 -13 19 10 o 346.6795 12.29236 28.31989       2.004622  28.38664       2.108679  27.69322       6.461200  347.0547 12.91645 337.2270 41.61334 9.827728       43.57184 
1 1 1 -13 19 11 o 606.9471 11.44661 86.79836       3.268113  86.38702       3.502561  89.56600       9.085395  605.4244 12.29862 612.1653 31.65877 -6.740845      33.96371 
1 1 1 -13 19 12 o 134.7609 29.61359 4.493262       1.826019  4.493262       1.826019  0.000000       0.000000  134.7609 29.61359 ?        ?        0.000000       29.61359 
1 1 1 -13 19 13 o 359.5215 15.76560 30.52937       2.666274  30.60637       3.006425  30.24568       5.770642  359.7708 17.76459 353.2688 35.19407 6.502045       39.42338 
1 1 1 -13 19 14 o 434.6414 21.01254 44.80796       4.296146  49.28657       5.891986  39.72382       6.277675  453.6265 27.74513 405.4413 33.20683 48.18518       43.27223 
1 1 1 -13 19 15 o 153.2528 34.97004 5.885777       2.465348  8.461798       2.914663  -0.5912071     4.621681  184.4397 34.87181 108.8910 47.59230 75.54872       59.00059 
1 1 1 -13 19 16 o 171.0816 32.38099 7.277067       2.510498  8.288564       3.130767  5.455153       4.201771  181.4255 37.90641 150.6035 50.40989 30.82204       63.07181 
1 1 1 -13 19 17 o 192.5509 26.98350 9.057673       2.376949  11.95717       3.292907  5.903287       3.434595  220.0229 32.81962 152.5440 44.87016 67.47899       55.59190 
1 1 1 -13 19 18 o 305.0362 19.64752 22.23651       2.804220  19.70604       3.915255  24.90191       4.018285  284.1448 29.73243 320.7393 26.88084 -36.59448      40.08237 
1 1 1 -13 19 19 o 334.8301 23.72228 27.00968       3.712186  25.77117       4.201108  31.42093       7.928569  325.6286 27.68937 348.2233 49.82264 -22.59470      56.99997 
1 1 1 -13 19 20 o 287.7855 17.55969 19.77879       2.365767  21.11687       4.171188  19.14422       2.872466  292.9894 30.72197 281.9521 21.82767 11.03723       37.68669 
1 1 1 -13 19 21 o 277.8033 17.86473 18.46446       2.322170  13.81331       3.966841  20.88932       2.864231  233.2563 37.41776 294.6933 20.79527 -61.43701      42.80809 
1 1 1 -13 19 22 o 356.9476 16.18238 30.32539       2.717166  28.64820       4.551345  31.25420       3.386977  341.6325 28.58384 360.7141 20.03985 -19.08160      34.90891 
1 1 1 -13 19 23 f 91.21735 34.38542 1.625013       2.010837  -7.696196      4.852427  3.557577       2.209479  80.75795 39.37156 118.3701 36.26211 -37.61216      53.52626 
1 1 1 -13 19 24 o 433.2431 16.32986 44.82555       3.328001  37.36687       5.039358  50.59454       4.431943  389.2184 27.70494 458.2538 20.55980 -69.03540      34.50027 
1 1 1 -13 19 25 o 393.8260 16.41176 37.12777       3.040387  26.82091       4.838816  43.85147       3.908231  325.6184 32.00432 426.4830 19.48091 -100.8646      37.46708 
1 1 1 -13 19 26 f 245.5153 22.48916 14.83222       2.568433  7.535445       4.084458  19.60477       3.303271  161.9041 49.24456 280.9746 25.26243 -119.0705      55.34634 
1 1 1 -13 19 27 o 127.1285 38.32616 4.410162       2.482080  11.29608       5.164051  2.341462       2.830469  190.8764 54.69918 104.2100 40.41038 86.66633       68.00735 
1 1 1 -13 19 28 o 62.59977 29.94501 -2.803328      2.496484  -1.640309      4.932891  -3.203772      2.894537  97.33824 45.14082 67.06074 32.12237 30.27750       55.40343 
1 1 1 -13 19 29 o 73.78455 33.69135 -0.8798296     2.602660  -3.278835      4.477715  0.3442120      3.198445  85.03398 40.51729 88.83535 39.18459 -3.801369      56.36562 
1 1 1 -13 21 1  o 531.0565 12.44656 66.43210       3.109276  66.37122       4.398760  66.49290       4.395601  530.4095 17.62989 530.8983 17.60101 -0.4887085     24.91202 
1 1 1 -13 21 2  o 98.84959 39.87758 1.057390       2.858814  0.000000       0.000000  1.057390       2.858814  ?        ?        98.84959 39.87758 0.000000       39.87758 
1 1 1 -13 21 3  o 162.0087 22.84729 6.326991       1.692832  6.792648       2.069068  5.384176       2.944115  167.1945 27.24616 147.7960 40.93998 19.39853       49.17759 
1 1 1 -13 21 4  o 951.1984 14.22560 213.2677       6.365184  209.5257       7.635876  221.7896       11.52310  942.3397 17.22590 967.7440 25.31276 -25.40424      30.61809 
1 1 1 -13 21 5  o 284.5505 32.47345 19.51107       4.268822  19.51107       4.268822  0.000000       0.000000  284.5505 32.47345 ?        ?        0.000000       32.47345 
1 1 1 -13 21 6  o 326.2281 14.83666 25.09710       2.276810  25.25427       2.465879  24.18847       5.928928  327.1766 16.02213 315.0645 40.97405 12.11212       43.99524 
1 1 1 -13 21 7  f 949.1166 12.94853 212.3273       5.781084  213.0067       6.483332  209.6909       12.77141  950.3760 14.50219 939.2230 28.90686 11.15302       32.34069 
1 1 1 -13 21 8  o 164.6260 26.74245 6.597308       1.999875  8.452967       2.175517  -3.522593      5.080443  187.0909 25.37423 101.2501 46.54334 85.84087       53.01070 
1 1 1 -13 21 9  o 235.4085 14.56057 13.12474       1.604473  12.84678       1.661788  16.94709       6.162417  232.8142 15.25828 258.9823 52.38345 -26.16803      54.56044 
1 1 1 -13 21 10 o 718.5286 11.74551 121.7013       3.969952  126.1733       4.367134  100.4162       9.527528  731.4746 12.69194 648.3086 31.24130 83.16602       33.72098 
1 1 1 -13 21 11 o 401.9003 12.92925 38.10305       2.444336  38.10305       2.444336  0.000000       0.000000  401.9003 12.92925 ?        ?        0.000000       12.92925 
1 1 1 -13 21 12 o 220.5455 18.08285 11.58888       1.859506  13.26869       1.949510  -5.353746      6.191369  236.1484 17.67801 106.6634 49.83561 129.4850       52.87817 
1 1 1 -13 21 13 o 194.6262 21.23350 9.099221       1.912439  8.845768       2.007260  11.59334       6.296702  191.5724 22.71677 210.7881 60.39940 -19.21571      64.53014 
1 1 1 -13 21 14 o 610.4636 13.89803 88.05569       3.991006  88.05569       3.991006  0.000000       0.000000  610.4636 13.89803 ?        ?        0.000000       13.89803 
1 1 1 -13 21 15 o 309.6865 38.95947 23.77781       5.549891  0.000000       0.000000  23.77781       5.549891  ?        ?        309.6865 38.95947 0.000000       38.95947 
1 1 1 -13 21 16 o 86.51867 36.27837 0.4179400      2.487964  0.3270748      2.893892  0.6753970      4.871201  91.75148 38.83279 117.9964 50.18104 -26.24493      63.45174 
1 1 1 -13 21 17 o 409.2002 17.31410 39.75606       3.332768  44.32934       4.225564  32.22840       5.421265  431.1912 20.83270 363.0414 32.07491 68.14975       38.24659 
1 1 1 -13 21 18 o 103.3036 38.22334 2.151840       2.462142  3.038581       3.146828  0.7520955      3.953657  118.9304 43.33997 107.8666 45.50690 11.06379       62.84291 
1 1 1 -13 21 19 o 354.6528 17.56230 29.91989       2.929909  30.87562       4.136768  28.95790       4.150299  357.5020 24.75106 345.8130 25.69705 11.68900       35.67847 
1 1 1 -13 21 20 o 137.8932 42.50510 4.849182       3.030401  4.942562       3.472818  4.551130       6.204429  140.1111 45.78543 150.6101 59.41007 -10.49902      75.00574 
1 1 1 -13 21 21 f 147.7935 35.21586 5.621999       2.413480  9.488705       5.150824  4.534246       2.731940  185.8426 55.02761 132.9922 40.23484 52.85040       68.16804 
1 1 1 -13 21 22 o 448.9964 15.13032 47.95981       3.195659  45.03758       5.099418  49.84956       4.100765  430.0639 25.31852 456.2206 19.10824 -26.15665      31.71990 
1 1 1 -13 21 23 o 393.7502 15.53197 36.96474       2.876845  38.31435       4.769535  36.19294       3.606824  395.4726 25.77932 387.4904 19.85435 7.982208       32.53873 
1 1 1 -13 21 24 o 176.7893 30.02567 7.956890       2.407681  6.596314       5.463450  8.284806       2.682174  155.7909 57.05563 179.1277 33.04892 -23.33676      65.93615 
1 1 1 -13 21 25 f 105.5899 43.90629 1.568546       3.600302  1.568546       3.600302  0.000000       0.000000  105.5899 43.90629 ?        ?        0.000000       43.90629 
1 1 1 -13 21 26 f 100.4071 35.52008 2.455172       2.095960  2.369966       3.512805  2.502275       2.611814  109.8116 44.23775 104.4072 39.22170 5.404388       59.12123 
1 1 1 -13 21 27 o 195.1759 42.29471 10.85882       3.770970  9.450060       4.859836  12.99049       5.978082  172.0790 53.95716 196.2915 59.54763 -24.21255      80.35730 
1 1 1 -13 23 1  o 455.5260 14.72602 48.94641       3.155497  51.47804       3.953125  44.50060       5.238602  466.8250 18.00185 432.2915 25.88040 34.53348       31.52558 
1 1 1 -13 23 2  f 683.7488 16.57156 110.3701       5.330027  110.3701       5.330027  0.000000       0.000000  683.7488 16.57156 ?        ?        0.000000       16.57156 
1 1 1 -13 23 3  o 457.9656 19.75815 49.59850       4.256460  0.000000       0.000000  49.59850       4.256460  ?        ?        457.9656 19.75815 0.000000       19.75815 
1 1 1 -13 23 4  o 346.3911 13.30100 28.29331       2.167307  25.72530       2.683083  33.11501       3.676509  329.5484 17.36929 373.4529 21.01354 -43.90445      27.26281 
1 1 1 -13 23 5  o 587.6333 13.76160 81.45016       3.804036  82.96542       4.334131  76.36742       7.937913  592.8414 15.54155 565.2366 29.96126 27.60474       33.75228 
1 1 1 -13 23 6  o 244.1588 28.00027 14.37381       3.157769  9.238463       3.749364  26.90547       5.857024  191.8615 42.64859 332.3799 38.15177 -140.5184      57.22289 
1 1 1 -13 23 7  o 188.2584 21.95210 8.514311       1.907509  7.484346       2.038356  15.77289       5.411212  175.6798 25.40307 250.4727 47.66813 -74.79294      54.01450 
1 1 1 -13 23 8  o 179.1503 20.49233 7.702218       1.695876  6.743201       1.780316  17.09869       5.572712  166.9493 23.30500 260.9227 47.13789 -93.97343      52.58425 
1 1 1 -13 23 9  o 295.3597 12.76591 20.58231       1.773668  21.29703       1.861395  13.53151       5.846394  300.4140 13.17192 229.0360 54.96475 71.37798       56.52100 
1 1 1 -13 23 10 f 177.0426 17.74760 7.492724       1.458141  7.739755       1.506036  3.793104       5.828247  179.9189 18.03754 148.1526 57.83787 31.76636       60.58525 
1 1 1 -13 23 11 o 405.4073 11.92189 38.77804       2.273557  38.42296       2.393279  42.06302       7.279490  403.4719 12.60987 414.8710 37.71274 -11.39908      39.76506 
1 1 1 -13 23 12 o 426.9854 12.89040 43.05056       2.589099  42.69358       2.756822  45.71939       7.537899  425.0909 13.78661 432.2847 37.43867 -7.193756      39.89643 
1 1 1 -13 23 13 o 445.5707 14.71119 46.95337       3.083428  46.82143       3.341131  47.71106       8.006557  444.7259 15.97099 440.3670 39.05638 4.358948       42.19566 
1 1 1 -13 23 14 o 387.0843 17.93012 35.55074       3.264812  35.55074       3.264812  0.000000       0.000000  387.0843 17.93012 ?        ?        0.000000       17.93012 
1 1 1 -13 23 15 o 250.0639 19.60620 14.95996       2.287809  14.19205       2.426139  21.12366       6.873600  243.1179 21.43365 284.5161 53.31709 -41.39812      57.46402 
1 1 1 -13 23 16 o 307.5860 26.23611 22.88255       3.759784  26.65280       5.233105  18.86002       5.405352  329.0672 34.31153 272.4056 43.65758 56.66162       55.52716 
1 1 1 -13 23 17 o 286.5662 24.35536 19.83233       3.252019  22.26841       3.499931  4.441142       8.797304  303.6532 24.71710 166.8406 68.94216 136.8127       73.23904 
1 1 1 -13 23 18 o 199.0009 30.87485 9.840201       2.796561  10.48619       3.384747  8.450635       4.964244  203.4836 36.71199 178.2799 54.30405 25.20366       65.54922 
1 1 1 -13 23 19 o 174.2352 34.90767 7.723889       2.761349  9.426191       3.501133  4.922143       4.491635  190.9280 40.25087 144.0752 51.88729 46.85278       65.66904 
1 1 1 -13 23 20 o 159.2971 40.96789 6.650235       3.087203  6.459572       4.757348  6.788934       4.057598  157.7437 53.63501 159.9398 49.16486 -2.196075      72.75918 
1 1 1 -13 23 21 f 175.7170 40.29622 8.124887       3.259821  7.545286       3.707802  10.09810       6.841299  167.4970 45.76063 188.0514 64.31656 -20.55441      78.93450 
1 1 1 -13 23 22 o 142.4016 36.31636 5.315333       2.440293  7.156077       3.689906  3.884374       3.253360  162.0975 46.16542 125.7589 44.27879 36.33860       63.96762 
1 1 1 -13 23 23 o 165.2398 33.86024 7.109292       2.543472  5.763606       3.523683  8.573128       3.675119  145.5737 45.98700 176.7009 44.29815 -31.12720      63.85241 
1 1 1 -13 23 24 o 170.8577 30.17162 7.508699       2.336280  5.240079       3.565871  9.214942       3.092466  138.5393 46.43861 186.2867 36.59568 -47.74742      59.12519 
1 1 1 -13 23 25 o 168.9254 29.10183 7.365033       2.229046  5.073558       3.486122  8.949789       2.899121  135.0702 45.91323 183.3208 34.89373 -48.25053      57.66799 
1 1 1 -13 25 1  o 640.8163 14.32027 96.92358       4.316721  100.4063       5.325245  90.24971       7.371698  651.6904 17.37117 616.0406 25.43835 35.64978       30.80369 
1 1 1 -13 25 2  o 451.4799 13.23070 48.08820       2.809897  49.78842       3.681119  45.71441       4.349600  458.9310 17.05153 439.1737 21.05444 19.75723       27.09324 
1 1 1 -13 25 3  o 115.7868 30.50526 3.320624       1.684738  4.835994       1.905681  -2.101368      3.604709  139.7030 29.90152 87.44516 39.82068 52.25789       49.79747 
1 1 1 -13 25 4  o 264.5784 15.52260 16.59333       1.923457  17.13054       2.394023  15.61505       3.230616  268.3176 19.09206 254.5043 27.41768 13.81331       33.41011 
1 1 1 -13 25 5  o 82.60360 31.06068 1.218661       1.638754  0.7802317      1.739560  4.675982       4.884942  78.61405 31.31556 148.4714 54.01477 -69.85737      62.43604 
1 1 1 -13 25 6  o 247.6761 18.11071 14.59708       2.095401  15.60479       2.268410  8.736624       5.470422  255.9857 18.97315 185.8773 57.07753 70.10831       60.14836 
1 1 1 -13 25 7  o 226.8123 26.42747 12.43081       2.766760  12.06347       3.200723  13.51665       5.502974  222.1588 31.51088 229.2461 52.19946 -7.087311      60.97310 
1 1 1 -13 25 8  o 200.6814 18.84482 9.626263       1.758133  9.454994       1.862406  11.02854       5.329082  198.6323 20.21388 206.3902 54.19615 -7.757889      57.84310 
1 1 1 -13 25 9  o 453.0956 11.68864 48.43324       2.491284  49.13202       2.659588  43.43044       7.116228  456.2663 12.39158 422.1638 36.18403 34.10245       38.24703 
1 1 1 -13 25 10 o 126.8506 23.87112 3.956230       1.372136  3.956230       1.372136  0.000000       0.000000  126.8506 23.87112 ?        ?        0.000000       23.87112 
1 1 1 -13 25 11 o 664.2354 11.58588 104.1142       3.620097  103.3275       3.884762  109.3044       9.978497  661.5467 12.48345 673.5717 31.49285 -12.02496      33.87678 
1 1 1 -13 25 12 o 241.3986 16.54366 13.86631       1.867273  14.17578       1.959663  10.81451       6.153916  243.9801 17.18468 202.6455 60.18069 41.33463       62.58617 
1 1 1 -13 25 13 o 225.6821 18.25095 12.16548       1.920960  12.04067       2.018422  13.36504       6.257443  224.3087 19.31761 223.9174 58.69308 0.3912964      61.79036 
1 1 1 -13 25 14 o 97.82630 33.32981 2.168507       1.837141  1.743828       1.923338  6.590369       6.206237  92.85460 33.87596 167.7790 60.90692 -74.92441      69.69385 
1 1 1 -13 25 15 o 327.5915 16.93506 25.53613       2.600766  26.41135       2.790644  19.75327       7.173269  332.9534 17.88318 271.6410 57.90710 61.31235       60.60562 
1 1 1 -13 25 16 o 378.7789 16.89495 34.07682       3.010315  34.07682       3.010315  0.000000       0.000000  378.7789 16.89495 ?        ?        0.000000       16.89495 
1 1 1 -13 25 17 o 297.0503 22.66064 21.27126       3.142552  21.64955       3.527364  19.81570       6.919082  298.8008 25.33431 270.8199 56.15516 27.98090       61.60543 
1 1 1 -13 25 18 o 275.6974 28.73341 18.66995       3.671645  18.66995       3.671645  0.000000       0.000000  275.6974 28.73341 ?        ?        0.000000       28.73341 
1 1 1 -13 25 19 o 233.8529 25.79458 13.40432       2.790315  18.12720       3.710570  7.257754       4.233051  270.7380 29.61860 164.4741 50.15596 106.2639       58.24844 
1 1 1 -13 25 20 o 98.40214 38.49250 1.698473       2.585404  1.684571       3.386213  1.717904       4.003428  106.7267 43.27915 113.0078 46.58424 -6.281097      63.58597 
1 1 1 -13 25 21 o 82.52199 36.66784 -0.5906311     2.851310  -4.615333      3.452832  8.038051       5.055695  71.64388 34.51191 168.9283 55.24491 -97.28439      65.13886 
1 1 1 -13 25 22 o 142.3522 42.87407 5.489434       3.107201  8.602855       4.197056  1.713436       4.622126  174.3718 49.08820 116.4064 49.16182 57.96543       69.47327 
1 1 1 -13 25 23 o 172.7355 35.01397 7.893213       2.747660  7.165988       3.389686  9.286565       4.691975  160.1426 43.75448 177.2175 52.52991 -17.07484      68.36554 
1 1 1 -13 27 1  o 356.6929 15.32724 30.05908       2.571744  28.91121       3.572360  31.29395       3.705272  348.3348 21.91332 362.4739 21.83259 -14.13907      30.93308 
1 1 1 -13 27 2  o 398.8023 16.03324 37.59377       3.007795  41.46928       3.569162  28.09751       5.586999  418.5651 18.12733 339.7997 35.47624 78.76547       39.83922 
1 1 1 -13 27 3  o 80.14265 31.18386 0.9734331      1.689946  0.5188860      1.878636  2.901308       3.868946  78.02370 32.00749 125.4975 47.60207 -47.47383      57.36232 
1 1 1 -13 27 4  o 610.6483 12.10775 87.96442       3.477954  92.80052       4.701480  82.11912       5.168805  626.5287 15.95234 588.8148 18.66131 37.71399       24.55039 
1 1 1 -13 27 5  o 213.1692 19.66338 10.86277       1.949525  12.12992       2.144626  4.833532       4.678096  225.2150 20.46691 148.1284 52.99483 77.08658       56.80973 
1 1 1 -13 27 6  o 253.2831 17.69876 15.26246       2.095462  13.77764       2.265502  24.05470       5.512870  240.1470 20.24354 312.8355 38.25946 -72.68848      43.28495 
1 1 1 -13 27 7  o 496.5393 16.43487 58.33661       3.838744  60.79245       4.498170  51.75387       7.364432  506.4005 18.88306 461.9906 34.12889 44.40991       39.00451 
1 1 1 -13 27 8  o 80.73884 31.47505 0.9881700      1.724141  0.4626593      1.808726  6.215815       5.704729  76.05541 31.32710 164.4473 58.55467 -88.39190      66.40810 
1 1 1 -13 27 9  o 150.3804 23.19866 5.508885       1.588267  5.686400       1.651428  3.320452       5.798396  152.7161 23.76071 143.9034 57.22062 8.812744       61.95781 
1 1 1 -13 27 10 o 545.6407 12.88558 70.32183       3.307348  71.33830       3.573016  64.23901       8.740574  549.3948 13.82551 512.8135 36.47134 36.58130       39.00389 
1 1 1 -13 27 11 o 201.2008 20.63927 9.728367       1.925752  8.725444       2.022967  19.41736       6.287738  189.8983 23.12378 274.4355 50.56950 -84.53723      55.60560 
1 1 1 -13 27 12 o 314.3363 16.79107 23.49410       2.473817  24.38002       2.656191  17.69917       6.793386  320.0310 17.71298 258.0252 57.44633 62.00580       60.11515 
1 1 1 -13 27 13 o 137.2335 33.90763 4.762475       2.176191  3.860288       2.334567  10.74316       6.010822  124.4363 37.09236 200.3050 59.47490 -75.86871      70.09355 
1 1 1 -13 27 14 o 170.6887 26.87405 7.175486       2.086431  7.100049       2.227772  7.714032       5.952366  169.1715 29.04057 174.1855 59.97638 -5.013992      66.63723 
1 1 1 -13 27 15 o 223.0822 23.54095 12.06630       2.433042  12.59145       2.621787  8.807967       6.530649  227.5426 24.90071 182.9953 62.83297 44.54727       67.58719 
1 1 1 -13 27 16 o 263.7674 20.28260 16.72755       2.497312  17.29971       2.693914  13.23127       6.659269  267.8932 21.55984 217.0425 62.08979 50.85068       65.72646 
1 1 1 -13 27 17 o 317.9576 18.39392 24.21327       2.739390  24.49231       2.961483  22.55946       7.209826  319.3335 19.81273 287.4638 55.32590 31.86969       58.76649 
1 1 1 -13 27 18 o 514.9644 18.12943 63.38952       4.391680  70.59496       5.432040  49.79192       7.462145  541.7863 21.31404 444.8821 35.96499 96.90417       41.80632 
1 1 1 -13 27 19 o 182.0446 55.26550 9.384662       5.147859  0.000000       0.000000  9.384662       5.147859  ?        ?        182.0446 55.26550 0.000000       55.26550 
1 1 1 -13 27 20 o 137.6339 47.55885 4.934949       3.744362  3.469085       5.877292  5.936386       4.857826  136.6831 56.40504 149.6786 53.95457 -12.99553      78.05526 
1 1 1 -13 29 1  f 313.5027 17.37232 23.33610       2.551924  25.19634       3.721255  21.68459       3.506264  324.3145 24.57494 300.6287 25.02117 23.68576       35.07117 
1 1 1 -13 29 2  o 297.1523 19.22922 21.02059       2.673474  19.54823       3.015807  26.42390       5.777318  285.8414 22.61358 328.0261 38.15388 -42.18469      44.35192 
1 1 1 -13 29 3  o 389.0543 21.70053 36.08182       3.955636  0.000000       0.000000  36.08182       3.955636  ?        ?        389.0543 21.70053 0.000000       21.70053 
1 1 1 -13 29 4  o 186.1940 20.81189 8.333836       1.791649  8.844783       2.201220  7.330913       3.083963  190.9834 25.11055 170.3450 39.28844 20.63837       46.62748 
1 1 1 -13 29 5  o 236.6846 19.64605 13.38447       2.167560  14.29675       2.357832  8.406659       5.507663  244.4681 20.69754 181.9116 57.49665 62.55658       61.10853 
1 1 1 -13 29 6  o 337.8733 22.00838 27.27857       3.478838  23.71562       4.141302  35.82045       6.412222  313.2562 28.41312 382.6968 36.04386 -69.44055      45.89624 
1 1 1 -13 29 7  f 525.7020 12.73446 65.26933       3.149121  69.07963       3.483773  48.24614       7.363612  540.6544 13.69812 444.5440 35.50966 96.11038       38.06014 
1 1 1 -13 29 8  o 68.41884 29.30022 -0.2962634E-01 1.681786  0.3775226      1.781048  -3.379905      5.109041  74.51797 30.92488 100.6861 46.42693 -26.16815      55.78359 
1 1 1 -13 29 9  o 371.0241 15.31136 32.59156       2.672301  32.59156       2.672301  0.000000       0.000000  371.0241 15.31136 ?        ?        0.000000       15.31136 
1 1 1 -13 29 10 o 455.0466 13.92707 48.98526       2.981159  53.04162       3.304412  31.24257       6.910913  473.3276 14.84100 352.9436 42.47866 120.3840       44.99657 
1 1 1 -13 29 11 o 265.0631 16.24512 16.72521       2.015773  15.97202       2.135545  22.88050       6.104912  258.7216 17.65256 299.8604 44.64170 -41.13882      48.00515 
1 1 1 -13 29 12 o 119.3873 34.93184 3.567414       2.086522  4.636000       2.284720  -1.802319      5.121587  135.0492 35.49744 106.8412 48.17638 28.20799       59.84172 
1 1 1 -13 29 13 o 124.1994 43.57864 3.572431       3.149622  6.590369       4.195385  -0.3252081     4.767795  159.4603 50.15466 110.0042 48.20191 49.45602       69.56231 
1 1 1 -13 29 14 o 187.5282 38.17699 9.029737       3.253251  15.48752       4.866969  3.813913       4.373996  244.2862 43.97057 133.9752 50.66282 110.3110       67.08302 
1 1 1 -13 29 15 o 110.5245 47.79565 0.3240190      4.559376  0.3240190      4.559376  0.000000       0.000000  110.5245 47.79565 ?        ?        0.000000       47.79565 
1 1 1 -13 29 16 o 65.25601 31.95296 -5.945464      3.299312  -3.638526      5.101585  -7.604043      4.325690  97.12746 45.33223 74.61033 36.54475 22.51714       58.22826 
1 1 1 -13 29 17 o 96.41377 41.42992 0.3472810      3.383048  2.425089       4.902919  -1.541023      4.673991  125.2821 51.58751 100.7336 45.66704 24.54857       68.89665 
1 1 1 -13 31 1  o 344.3143 16.79906 28.08672       2.720880  35.89075       4.135185  22.12844       3.613228  387.4024 22.79192 303.1579 25.57593 84.24445       34.25784 
1 1 1 -13 31 2  f 415.8823 16.32776 40.96446       3.194230  37.61186       3.724022  50.29726       6.213376  397.3284 19.98861 456.5345 29.08386 -59.20605      35.29044 
1 1 1 -13 31 3  o 498.0787 30.01398 59.95839       6.999347  0.000000       0.000000  59.95839       6.999347  ?        ?        498.0787 30.01398 0.000000       30.01398 
1 1 1 -13 31 4  o 296.4354 18.98197 20.95610       2.633014  22.69340       3.081836  16.26041       5.066675  307.9649 21.40653 253.1008 44.16229 54.86414       49.07696 
1 1 1 -13 31 5  o 173.7011 25.11294 7.364448       1.992395  6.294168       2.184356  12.66350       4.860418  159.0514 30.30200 221.0995 48.10057 -62.04810      56.84959 
1 1 1 -13 31 6  o 347.1172 21.54978 28.83533       3.501365  41.02259       4.829852  15.33591       5.083212  413.1143 24.97124 244.4935 45.88316 168.6208       52.23818 
1 1 1 -13 31 7  o 179.0883 34.17833 8.050829       2.774259  9.658146       3.639092  5.820452       4.286781  194.3373 41.09237 153.2564 50.90716 41.08090       65.42264 
1 1 1 -13 31 8  o 199.4521 32.25436 9.892466       2.922894  10.30321       3.805329  9.301428       4.564714  200.4097 41.72147 187.8422 50.54786 12.56757       65.54210 
1 1 1 -13 31 9  o 366.1341 22.66223 32.20405       3.883935  38.19858       5.675289  26.92331       5.326697  395.5235 30.74487 329.8897 34.85346 65.63376       46.47591 
1 1 1 -13 31 10 o 170.4898 39.62756 7.492065       3.117698  10.08918       4.433972  4.952438       4.384624  195.2507 48.49509 144.5222 51.34797 50.72841       70.62852 
1 1 1 -13 31 11 o 242.7766 30.69960 14.57469       3.427616  16.11772       5.073271  13.27884       4.649204  249.0825 44.95283 225.3533 45.42651 23.72916       63.90873 
1 1 1 -13 31 12 o 184.9687 40.82357 8.901480       3.456914  10.50535       5.508912  7.859692       4.439876  195.2972 56.65076 171.3601 51.16906 23.93712       76.33859 
1 1 1 -12 0  1  o 72.24920 41.48130 1.553254       2.245770  1.553254       2.245770  1.553254       2.245770  72.24920 41.48130 72.24920 41.48130 0.000000       0.000000 
1 1 1 -12 0  3  o 63.45690 37.65017 1.034807       1.953121  1.034807       1.953121  1.034807       1.953121  63.45690 37.65017 63.45690 37.65017 0.000000       0.000000 
1 1 1 -12 0  4  o 68.07201 35.45939 1.588864       1.480509  1.588864       1.480509  1.588864       1.480509  68.07201 35.45939 68.07201 35.45939 0.000000       0.000000 
1 1 1 -12 0  5  o 288.5764 16.45765 19.79192       2.217454  19.79192       2.217454  19.79192       2.217454  288.5764 16.45765 288.5764 16.45765 0.000000       0.000000 
1 1 1 -12 0  6  o 654.5509 12.69660 100.9364       3.905993  100.9364       3.905993  100.9364       3.905993  654.5509 12.69660 654.5509 12.69660 0.000000       0.000000 
1 1 1 -12 0  7  o 295.7609 12.12678 20.68955       1.680710  20.68955       1.680710  20.68955       1.680710  295.7609 12.12678 295.7609 12.12678 0.000000       0.000000 
1 1 1 -12 0  8  o 728.5946 13.51982 125.0897       4.630083  125.0897       4.630083  125.0897       4.630083  728.5946 13.51982 728.5946 13.51982 0.000000       0.000000 
1 1 1 -12 0  9  o 354.6798 13.33090 29.73738       2.217025  29.73738       2.217025  29.73738       2.217025  354.6798 13.33090 354.6798 13.33090 0.000000       0.000000 
1 1 1 -12 0  10 o 387.1313 17.96106 35.52319       3.254803  35.52319       3.254803  35.52319       3.254803  387.1313 17.96106 387.1313 17.96106 0.000000       0.000000 
1 1 1 -12 0  11 o 323.6743 15.91062 24.83898       2.409155  24.83898       2.409155  24.83898       2.409155  323.6743 15.91062 323.6743 15.91062 0.000000       0.000000 
1 1 1 -12 0  12 o 361.7961 16.62766 31.00280       2.816243  31.00280       2.816243  31.00280       2.816243  361.7961 16.62766 361.7961 16.62766 0.000000       0.000000 
1 1 1 -12 0  13 o 240.0337 22.67418 13.92530       2.507704  13.92530       2.507704  13.92530       2.507704  240.0337 22.67418 240.0337 22.67418 0.000000       0.000000 
1 1 1 -12 0  14 o 1357.072 21.30084 433.8841       13.59026  433.8841       13.59026  433.8841       13.59026  1357.072 21.30084 1357.072 21.30084 0.000000       0.000000 
1 1 1 -12 0  15 o 106.2188 61.13900 3.356124       4.897985  3.356124       4.897985  3.356124       4.897985  106.2188 61.13900 106.2188 61.13900 0.000000       0.000000 
1 1 1 -12 0  16 o 329.0815 23.54593 25.89220       3.602051  25.89220       3.602051  25.89220       3.602051  329.0815 23.54593 329.0815 23.54593 0.000000       0.000000 
1 1 1 -12 0  17 o 182.8662 44.36762 9.153881       3.307635  9.153881       3.307635  9.153881       3.307635  182.8662 44.36762 182.8662 44.36762 0.000000       0.000000 
1 1 1 -12 0  18 o 86.87334 53.81604 1.261891       4.372226  1.261891       4.372226  1.261891       4.372226  86.87334 53.81604 86.87334 53.81604 0.000000       0.000000 
1 1 1 -12 0  19 o 381.7654 25.62440 34.81416       4.554132  34.81416       4.554132  34.81416       4.554132  381.7654 25.62440 381.7654 25.62440 0.000000       0.000000 
1 1 1 -12 0  20 o 613.1378 21.67108 88.91414       6.232695  88.91414       6.232695  88.91414       6.232695  613.1378 21.67108 613.1378 21.67108 0.000000       0.000000 
1 1 1 -12 0  21 o 925.8621 21.29094 202.3739       9.261716  202.3739       9.261716  202.3739       9.261716  925.8621 21.29094 925.8621 21.29094 0.000000       0.000000 
1 1 1 -12 0  22 o 902.8920 22.31039 192.6589       9.462649  192.6589       9.462649  192.6589       9.462649  902.8920 22.31039 902.8920 22.31039 0.000000       0.000000 
1 1 1 -12 0  23 o 220.5797 50.56966 13.25938       4.569813  13.25938       4.569813  13.25938       4.569813  220.5797 50.56966 220.5797 50.56966 0.000000       0.000000 
1 1 1 -12 0  24 o 142.8076 64.91548 7.182533       4.720131  7.182533       4.720131  7.182533       4.720131  142.8076 64.91548 142.8076 64.91548 0.000000       0.000000 
1 1 1 -12 0  26 o 326.4291 33.90681 26.23785       5.077860  26.23785       5.077860  26.23785       5.077860  326.4291 33.90681 326.4291 33.90681 0.000000       0.000000 
1 1 1 -12 0  27 o 70.50998 47.53932 -1.744668      4.557901  -1.744668      4.557901  -1.744668      4.557901  70.50998 47.53932 70.50998 47.53932 0.000000       0.000000 
1 1 1 -12 0  28 o 265.1812 72.78956 21.09988       7.851142  21.09988       7.851142  21.09988       7.851142  265.1812 72.78956 265.1812 72.78956 0.000000       0.000000 
1 1 1 -12 0  30 o 50.15146 36.04397 -6.642975      4.117174  -6.642975      4.117174  -6.642975      4.117174  50.15146 36.04397 50.15146 36.04397 0.000000       0.000000 
1 1 1 -12 0  31 o 403.0659 30.42966 39.77508       5.693948  39.77508       5.693948  39.77508       5.693948  403.0659 30.42966 403.0659 30.42966 0.000000       0.000000 
1 1 1 -12 0  32 o 248.5112 46.91482 16.77159       4.914043  16.77159       4.914043  16.77159       4.914043  248.5112 46.91482 248.5112 46.91482 0.000000       0.000000 
1 1 1 -12 0  33 o 298.3992 38.44109 22.97313       5.149740  22.97313       5.149740  22.97313       5.149740  298.3992 38.44109 298.3992 38.44109 0.000000       0.000000 
1 1 1 -12 0  34 o 83.01527 54.93991 -0.8706897E-02 5.611285  -0.8706897E-02 5.611285  -0.8706897E-02 5.611285  83.01527 54.93991 83.01527 54.93991 0.000000       0.000000 
1 1 1 -12 0  35 o 82.06547 53.49893 0.8139122      5.023165  0.8139122      5.023165  0.8139122      5.023165  82.06547 53.49893 82.06547 53.49893 0.000000       0.000000 
1 1 1 -12 2  1  o 290.0227 13.36421 19.80166       1.823243  21.37931       3.769093  19.31971       2.083196  299.7269 27.02324 286.0040 15.54256 13.72293       31.17413 
1 1 1 -12 2  2  o 534.8279 11.70076 67.32590       2.943727  68.88251       3.616314  64.26873       5.067991  540.8822 14.21327 522.1451 20.63362 18.73706       25.05520 
1 1 1 -12 2  3  o 602.5067 10.89061 85.43748       3.086621  81.45782       4.365919  89.41431       4.364365  588.0946 15.78189 616.1852 15.05707 -28.09058      21.81247 
1 1 1 -12 2  4  o 360.7924 9.916723 30.63468       1.683042  31.53229       2.410366  29.78068       2.351102  365.9314 14.00277 355.6209 14.05448 10.31042       19.83951 
1 1 1 -12 2  5  o 1091.788 16.44795 280.8805       8.447330  303.5078       12.95623  264.1498       11.14089  1133.672 24.29528 1057.937 22.38672 75.73474       33.03674 
1 1 1 -12 2  6  o 1094.274 13.43488 282.0558       6.915586  283.8764       8.506771  278.5078       11.87566  1097.389 16.47915 1085.765 23.25159 11.62390       28.49910 
1 1 1 -12 2  7  o 1378.665 13.94019 447.9099       9.040591  436.5262       12.35161  461.0457       13.26820  1359.836 19.30935 1397.266 20.18662 -37.43042      27.93475 
1 1 1 -12 2  8  o 311.2569 9.017269 22.80695       1.320272  26.81183       1.929388  19.28017       1.810565  337.3567 12.15796 286.0236 13.45683 51.33313       18.13567 
1 1 1 -12 2  9  o 424.3470 9.135894 42.39150       1.823650  43.95933       2.624168  40.92709       2.536144  431.9257 12.91556 416.7616 12.93651 15.16412       18.28018 
1 1 1 -12 2  10 o 383.5816 10.90669 34.64527       1.967977  33.40525       2.510205  36.62307       3.170206  376.5086 14.17310 394.0550 17.10257 -17.54645      22.21204 
1 1 1 -12 2  11 o 679.8964 11.69458 108.8351       3.740218  112.3365       6.550742  107.1416       4.555812  690.0495 20.18092 674.4109 14.36058 15.63855       24.76885 
1 1 1 -12 2  12 o 498.9199 10.88730 58.58821       2.555174  54.26016       3.466368  63.73831       3.781254  479.9694 15.35295 520.1987 15.45245 -40.22925      21.78282 
1 1 1 -12 2  13 o 948.0349 12.33380 211.5660       5.500355  219.8286       8.103549  204.5073       7.489984  965.9360 17.83436 931.7325 17.08915 34.20343       24.70027 
1 1 1 -12 2  14 o 1016.104 14.99269 243.1275       7.166170  243.3413       12.80927  243.0301       8.645785  1015.219 26.82225 1015.624 18.09682 -0.4047852     32.35627 
1 1 1 -12 2  15 o 1278.260 17.34869 384.9545       10.43170  387.6292       12.66453  379.3104       18.39697  1282.191 20.99746 1266.546 30.87850 15.64587       37.34134 
1 1 1 -12 2  16 o 583.7057 13.15483 80.22230       3.612007  80.06891       5.224635  80.36273       4.999122  582.8027 19.05746 583.9291 18.19970 -1.126465      26.35178 
1 1 1 -12 2  17 o 563.1478 13.67857 74.68864       3.623535  70.86140       5.075738  78.66643       5.174598  548.1443 19.68498 577.5938 19.04517 -29.44940      27.39009 
1 1 1 -12 2  18 o 841.1896 14.20309 166.6988       5.620125  168.6513       7.899283  164.6973       7.997746  845.4463 19.86243 835.4109 20.35158 10.03540       28.43770 
1 1 1 -12 2  19 o 699.8613 16.47412 115.4972       5.423547  118.4899       9.286382  113.9480       6.681464  707.1861 27.91538 694.6733 20.44663 12.51276       34.60250 
1 1 1 -12 2  20 o 996.6163 15.00109 234.2047       7.032669  240.9149       10.29523  228.3343       9.629505  1009.403 21.68215 982.8939 20.82706 26.50861       30.06463 
1 1 1 -12 2  21 o 512.7870 19.25596 62.16661       4.644847  87.39597       9.657361  54.57401       5.297860  603.7589 34.14358 479.8534 23.47051 123.9055       41.43246 
1 1 1 -12 2  22 f 402.9036 23.14712 38.66825       4.368571  39.93317       5.284944  35.93936       7.762486  408.3701 27.67507 382.1176 43.98795 26.25247       51.96970 
1 1 1 -12 2  23 o 443.1428 18.47176 46.54362       3.850536  38.41645       5.366872  55.16502       5.527647  399.4585 28.75378 480.4393 24.54052 -80.98077      37.80234 
1 1 1 -12 2  24 o 137.8691 45.69703 4.589686       3.454899  2.729789       4.242989  8.249109       5.951600  126.1260 49.31862 180.0760 59.99127 -53.95000      77.66131 
1 1 1 -12 2  25 o 102.6314 42.54105 0.9946475      3.364587  4.875149       5.684233  -1.098201      4.174426  151.1356 57.60918 99.09839 44.17902 52.03723       72.59892 
1 1 1 -12 2  26 o 354.0077 22.09999 30.20915       3.661824  27.92632       5.130285  32.58004       5.228310  335.3907 32.94293 363.6017 30.85935 -28.21106      45.13908 
1 1 1 -12 2  27 o 188.2304 37.18322 9.192480       3.175568  15.64728       4.831886  4.284669       4.213268  243.1789 43.85309 134.9885 49.99055 108.1904       66.49924 
1 1 1 -12 2  28 o 141.8138 43.80945 5.392962       3.217240  7.008161       4.834716  4.109291       4.310074  158.9653 54.06930 132.4330 50.24020 26.53227       73.80764 
1 1 1 -12 2  29 o 184.8025 39.35538 9.171690       3.316362  5.919328       4.675237  12.46558       4.704993  147.3902 52.95234 210.0204 48.58926 -62.63029      71.86700 
1 1 1 -12 2  30 o 227.6612 35.56989 13.64214       3.684649  19.69581       4.886401  5.662902       5.609972  271.1628 39.46587 145.6341 56.77494 125.5287       69.14440 
1 1 1 -12 2  31 o 268.8818 50.53687 21.29608       6.157367  0.000000       0.000000  21.29608       6.157367  ?        ?        268.8818 50.53687 0.000000       50.53687 
1 1 1 -12 2  32 o 226.7483 32.94899 13.69600       3.411581  13.40988       4.876500  13.97028       4.774524  208.6525 50.27717 215.2001 48.34496 -6.547638      69.74976 
1 1 1 -12 2  33 o 186.6573 45.87114 10.74282       3.998973  7.856719       6.991828  12.14593       4.875079  147.3274 61.21751 191.0400 52.58733 -43.71263      80.70323 
1 1 1 -12 2  34 f 118.8352 48.37865 4.261709       4.250954  0.1933115      5.868083  8.754459       6.166529  104.6000 48.75238 146.6756 58.77957 -42.07551      76.36643 
1 1 1 -12 2  35 f 105.7943 47.74920 2.489893       5.044943  2.489893       5.044943  0.000000       0.000000  105.7943 47.74920 ?        ?        0.000000       47.74920 
1 1 1 -12 4  1  o 357.8290 12.78038 30.14437       2.151239  35.61312       3.480334  26.76311       2.736634  388.7090 19.03387 336.5832 17.34338 52.12582       25.75036 
1 1 1 -12 4  2  o 423.6891 11.11120 42.25341       2.214510  40.77024       2.860800  44.47087       3.498004  416.0720 14.61671 434.4397 17.11676 -18.36771      22.50848 
1 1 1 -12 4  3  o 745.5570 11.82809 130.8572       4.148248  124.9293       5.219459  141.0226       6.834960  728.2550 15.23606 773.4365 18.78633 -45.18152      24.18809 
1 1 1 -12 4  4  o 261.0836 13.84940 16.10002       1.694821  11.49524       3.449395  17.56545       1.945904  217.4513 34.90249 272.6250 15.23447 -55.17368      38.08245 
1 1 1 -12 4  5  o 779.0607 12.06015 142.9265       4.419705  142.4198       7.284794  143.2218       5.559877  776.8566 19.93458 779.5885 15.16109 -2.731873      25.04489 
1 1 1 -12 4  6  o 1047.040 13.12628 258.2820       6.465081  250.8233       7.639022  277.1106       12.13713  1031.431 15.74447 1082.450 23.83630 -51.01843      28.56672 
1 1 1 -12 4  7  o 568.4051 8.893432 76.05424       2.377917  76.67390       3.235601  75.32648       3.506472  570.5134 12.05646 565.3922 13.18413 5.121277       17.86559 
1 1 1 -12 4  8  o 239.7850 10.57861 13.53968       1.193219  14.17718       1.611752  12.76653       1.774963  244.8512 14.05236 232.0714 16.36400 12.77980       21.56964 
1 1 1 -12 4  9  o 678.3840 10.83761 108.3640       3.458426  111.6526       4.426407  103.2105       5.541153  688.3692 13.66975 661.4162 17.80968 26.95300       22.45098 
1 1 1 -12 4  10 o 1050.820 12.05466 260.0138       5.958715  262.2145       8.434901  257.8215       8.418912  1054.657 17.00197 1045.770 17.11396 8.887817       24.12374 
1 1 1 -12 4  11 o 956.7567 13.44843 215.5431       6.052608  211.1475       10.23444  217.9073       7.505888  945.9212 23.00064 961.7057 16.59169 -15.78448      28.36043 
1 1 1 -12 4  12 o 568.9936 13.37256 76.22143       3.579243  75.60017       4.195185  77.88348       6.861806  566.5636 15.74103 574.4354 25.39381 -7.871826      29.87684 
1 1 1 -12 4  13 o 1199.265 15.89134 338.7170       8.964888  324.0190       14.85482  347.1367       11.24317  1171.521 26.95553 1213.654 19.69358 -42.13293      33.38319 
1 1 1 -12 4  14 o 502.8467 12.09939 59.51762       2.861992  59.84837       4.246568  59.24236       3.873980  504.0104 17.91139 501.5197 16.42101 2.490662       24.29954 
1 1 1 -12 4  15 o 1303.475 14.86217 400.1243       9.112850  410.2436       13.30426  391.1805       12.50764  1318.952 21.44333 1288.067 20.64274 30.88477       29.76473 
1 1 1 -12 4  16 o 819.0439 15.55342 158.0252       5.992424  165.1554       7.338573  143.7574       10.38093  837.0359 18.63795 779.8019 28.29974 57.23395       33.88582 
1 1 1 -12 4  17 o 893.1987 15.05706 187.9530       6.326413  192.9686       8.229813  180.7075       9.891407  904.5555 19.34129 874.7016 24.03969 29.85388       30.85437 
1 1 1 -12 4  18 o 259.0791 21.85166 15.96155       2.638237  12.74005       3.915301  18.64070       3.570545  228.4695 37.74908 279.3102 27.53371 -50.84064      46.72363 
1 1 1 -12 4  19 o 1119.743 17.27892 295.7654       9.101320  311.8312       16.62358  288.8883       10.87622  1146.100 30.83420 1105.899 20.90708 40.20093       37.25391 
1 1 1 -12 4  20 o 540.9463 20.59940 69.17164       5.241771  0.000000       0.000000  69.17164       5.241771  ?        ?        540.9463 20.59940 0.000000       20.59940 
1 1 1 -12 4  21 o 576.6650 15.51129 78.49218       4.207663  76.07302       6.144344  80.62849       5.773977  566.4975 23.05729 583.5943 21.03268 -17.09680      31.20917 
1 1 1 -12 4  22 o 273.0550 23.66640 17.84947       3.009783  16.80901       4.430593  18.74107       4.101395  261.5975 37.03979 277.9019 31.95569 -16.30444      48.91945 
1 1 1 -12 4  23 o 165.9538 44.51103 7.016499       3.546429  11.45829       4.241385  -3.305589      6.465654  212.3822 43.90480 116.5164 53.16430 95.86572       68.94980 
1 1 1 -12 4  24 o 329.1060 21.92640 25.94687       3.375043  26.68285       4.835465  25.24772       4.712955  330.6403 31.46908 321.5172 31.56873 9.123138       44.57452 
1 1 1 -12 4  25 o 276.9745 26.03739 18.64028       3.352575  19.85298       4.876699  17.55352       4.616507  281.1537 37.83379 263.9121 38.30551 17.24158       53.83965 
1 1 1 -12 4  26 o 121.8731 45.05191 3.255188       3.418849  2.222949       5.912820  3.773617       4.190339  133.4671 55.94391 131.7325 49.64202 1.734650       74.79339 
1 1 1 -12 4  27 o 110.0960 44.23735 1.977684       3.502840  5.172414       6.542525  0.6939344      4.147329  152.4913 60.73542 107.2877 45.98056 45.20357       76.17745 
1 1 1 -12 4  28 o 185.9329 38.23516 9.134995       3.232500  9.639161       4.562885  8.627027       4.580054  184.4081 50.92254 174.2505 51.95657 10.15756       72.75019 
1 1 1 -12 4  29 o 314.7242 29.14251 24.88006       4.265493  24.51630       5.020989  25.82343       8.085689  307.9625 35.29679 292.3323 60.78126 15.63019       70.28674 
1 1 1 -12 4  30 o 247.0575 28.45728 15.45519       3.246757  11.14376       4.524078  20.03401       4.662255  195.8921 49.17094 275.4169 36.91513 -79.52473      61.48584 
1 1 1 -12 4  31 o 77.39090 35.40133 -1.202356      2.890077  -3.164247      4.115140  0.7071165      4.059793  83.81477 39.61464 102.1258 44.62128 -18.31102      59.66891 
1 1 1 -12 4  32 o 121.1752 49.23996 3.581389       4.393363  0.000000       0.000000  3.581389       4.393363  ?        ?        121.1752 49.23996 0.000000       49.23996 
1 1 1 -12 4  33 o 125.6952 45.83224 4.742593       3.519897  5.555886       6.373585  4.385690       4.222171  134.3362 57.27141 123.3734 48.90011 10.96284       75.30760 
1 1 1 -12 4  34 o 272.5686 30.66271 20.26677       3.863221  15.27646       6.272063  23.31735       4.903858  192.4087 61.41490 283.0149 37.77806 -90.60622      72.10390 
1 1 1 -12 4  35 o 111.3721 49.96224 3.593936       5.428725  3.593936       5.428725  0.000000       0.000000  111.3721 49.96224 ?        ?        0.000000       49.96224 
1 1 1 -12 6  1  o 783.8621 11.15241 144.6610       4.112233  149.4637       6.480819  141.4241       5.320500  796.2097 17.30347 774.7673 14.59862 21.44238       22.63912 
1 1 1 -12 6  2  o 150.7210 17.23919 5.425759       1.200265  3.670644       2.165149  6.204417       1.442142  122.9519 35.47221 161.0059 19.43439 -38.05396      40.44717 
1 1 1 -12 6  3  o 500.5864 9.713029 58.98841       2.287194  61.02628       2.944031  55.88586       3.632577  509.0295 12.29505 486.8994 15.86011 22.13007       20.06767 
1 1 1 -12 6  4  f 335.4243 12.48319 26.50224       1.969652  24.51592       2.952814  28.09453       2.643758  321.6633 19.60849 345.1715 16.28236 -23.50821      25.48741 
1 1 1 -12 6  5  f 304.1800 10.43992 21.78632       1.493815  23.49795       1.933296  19.25040       2.353213  315.8056 13.01395 285.0950 17.63355 30.71066       21.91586 
1 1 1 -12 6  6  o 203.0770 15.61164 9.781371       1.479925  11.15636       1.915234  7.743758       2.331486  216.5643 18.99216 178.4918 28.74403 38.07253       34.45172 
1 1 1 -12 6  7  o 130.9342 18.21554 4.122428       1.091535  4.248911       1.217165  3.602854       2.466931  132.6593 20.13760 123.2579 38.40943 9.401398       43.36827 
1 1 1 -12 6  8  o 238.5276 11.00839 13.39586       1.235184  13.68562       1.610456  12.98189       1.924941  240.5845 14.29447 233.9643 17.61970 6.620270       22.68889 
1 1 1 -12 6  9  o 706.7805 11.11407 117.5957       3.695107  114.3702       4.488791  124.3758       6.508078  696.8612 13.69348 726.2502 19.05009 -29.38904      23.46098 
1 1 1 -12 6  10 o 1335.737 14.07965 420.1342       8.846712  431.4825       12.76723  409.6529       12.26987  1352.844 20.06225 1318.220 19.78712 34.62329       28.17844 
1 1 1 -12 6  11 o 229.2908 13.36443 12.41908       1.435223  11.93756       2.156176  12.80215       1.923173  224.0905 20.68819 232.4405 17.72240 -8.350021      27.24123 
1 1 1 -12 6  12 o 1023.387 14.34311 246.5838       6.904823  238.1391       11.73944  251.0505       8.537805  1004.681 24.83991 1032.348 17.58129 -27.66718      30.43226 
1 1 1 -12 6  13 o 1104.595 15.17308 287.3091       7.883992  281.4804       13.32280  290.4503       9.780301  1092.116 25.93328 1110.280 18.72623 -18.16357      31.98760 
1 1 1 -12 6  14 o 884.9515 12.41925 184.3492       5.169926  193.4024       7.744987  177.0732       6.943293  905.9889 18.17308 866.9937 17.02473 38.99518       24.90185 
1 1 1 -12 6  15 o 793.2606 12.39241 148.1396       4.624248  146.4002       6.656348  149.7622       6.428928  788.1910 17.95293 797.2578 17.14235 -9.066833      24.82273 
1 1 1 -12 6  16 o 910.2926 19.00865 195.3695       8.139574  195.3695       8.139574  0.000000       0.000000  910.2926 19.00865 ?        ?        0.000000       19.00865 
1 1 1 -12 6  17 o 133.7395 33.44273 4.408599       2.098410  7.765550       3.595879  2.675080       2.584025  176.9643 43.50318 112.6366 39.47509 64.32765       58.74359 
1 1 1 -12 6  18 o 823.2010 13.60814 159.6489       5.269554  164.0163       7.854257  156.0737       7.106301  833.5858 20.03021 813.3546 18.57353 20.23120       27.31639 
1 1 1 -12 6  19 o 518.9974 15.18092 63.50743       3.706232  68.27180       5.752109  60.12542       4.846325  537.3006 22.75833 504.4938 20.42149 32.80679       30.57743 
1 1 1 -12 6  20 o 721.9109 19.68546 123.1904       6.684956  0.000000       0.000000  123.1904       6.684956  ?        ?        721.9109 19.68546 0.000000       19.68546 
1 1 1 -12 6  21 o 711.1073 14.80652 119.3598       4.952877  122.7722       7.433209  116.6351       6.642198  719.6664 21.95715 701.8877 20.11754 17.77869       29.77972 
1 1 1 -12 6  22 o 461.4969 16.90058 50.38676       3.668931  53.62581       5.703784  48.10064       4.791853  473.6235 25.69739 449.2874 22.74718 24.33606       34.31895 
1 1 1 -12 6  23 o 314.5032 23.82526 23.73239       3.498609  19.68413       4.578825  29.41142       5.423223  282.8730 35.16989 347.1277 33.63420 -64.25479      48.66395 
1 1 1 -12 6  24 o 91.09221 38.33039 0.4465015      2.793249  -1.372942      4.081455  2.049447       3.830937  96.78704 43.37710 116.4285 46.44277 -19.64146      63.54922 
1 1 1 -12 6  25 o 408.0866 18.79201 39.70617       3.607405  43.99501       5.436841  36.33298       4.821661  425.5816 27.30183 386.8914 26.65608 38.69016       38.15673 
1 1 1 -12 6  26 o 134.1670 44.72133 4.531442       3.307239  -2.711058      6.170766  7.450221       3.917378  112.0280 51.42287 166.6154 47.60703 -54.58741      70.07668 
1 1 1 -12 6  27 o 186.3495 35.30681 8.969833       2.981672  12.48992       4.361181  5.880363       4.085727  215.7650 44.44818 148.7740 49.70935 66.99100       66.68328 
1 1 1 -12 6  28 o 239.2161 29.30689 14.37714       3.228864  14.67909       4.524809  14.06385       4.608961  233.9084 42.69632 227.5625 44.65068 6.345886       61.77912 
1 1 1 -12 6  29 o 112.8120 43.29027 2.773010       3.223237  1.975130       4.096666  4.069561       5.222232  113.1642 46.92711 134.9136 54.08290 -21.74937      71.60387 
1 1 1 -12 6  30 o 480.4877 19.82587 56.06498       4.481092  53.29802       6.269674  58.95448       6.406999  459.4217 29.16223 484.2717 28.24785 -24.84998      40.60020 
1 1 1 -12 6  31 o 150.2996 43.64391 6.507998       3.268117  7.065370       4.681584  5.978207       4.564280  152.2432 53.14629 142.8601 52.17543 9.383148       74.47687 
1 1 1 -12 6  32 o 257.3623 34.24946 17.84148       4.043417  10.08026       6.977036  21.76633       4.961555  165.2913 63.62645 279.8700 38.72462 -114.5787      74.48437 
1 1 1 -12 6  33 o 101.7299 42.91854 1.975240       3.516772  1.124554       5.900493  2.443921       4.379680  111.3446 50.79793 109.9290 47.18553 1.415565       69.33184 
1 1 1 -12 6  34 o 118.7786 46.81624 4.459956       3.849909  -0.1041320     4.778965  12.89834       6.498100  96.02824 44.49712 169.7309 62.21447 -73.70261      76.48943 
1 1 1 -12 6  35 o 119.6380 52.25723 5.490488       5.564478  5.490488       5.564478  0.000000       0.000000  119.6380 52.25723 ?        ?        0.000000       52.25723 
1 1 1 -12 8  1  o 519.3047 16.31473 63.58877       3.985396  63.58877       3.985396  0.000000       0.000000  519.3047 16.31473 ?        ?        0.000000       16.31473 
1 1 1 -12 8  2  o 745.5718 10.44152 130.8788       3.662036  132.9372       5.496697  129.2360       4.910536  750.9363 15.56071 740.5618 14.09608 10.37451       20.99607 
1 1 1 -12 8  3  o 613.2823 10.31052 88.55103       2.974476  85.72300       3.598681  94.64924       5.284490  603.2556 12.68156 633.4298 17.73517 -30.17426      21.80271 
1 1 1 -12 8  4  o 201.4249 17.67236 9.642290       1.657546  10.79523       2.793867  9.016053       2.059074  211.5439 28.82661 193.9858 23.01372 17.55811       36.88638 
1 1 1 -12 8  5  o 1340.590 16.44548 423.6738       10.37079  434.6073       13.24682  406.3615       16.66898  1356.853 20.75436 1310.349 27.04287 46.50439       34.08900 
1 1 1 -12 8  6  f 1228.719 18.24895 356.0004       10.54775  356.0004       10.54775  0.000000       0.000000  1228.719 18.24895 ?        ?        0.000000       18.24895 
1 1 1 -12 8  7  o 839.1826 11.96776 165.7917       4.724312  165.3519       5.594601  166.8847       8.819805  837.9079 14.19396 840.9631 22.29527 -3.055176      26.43005 
1 1 1 -12 8  8  o 182.7897 16.10424 7.930933       1.370573  7.743909       1.470327  9.170631       3.785496  180.4465 17.54373 192.7469 42.85991 -12.30040      46.31149 
1 1 1 -12 8  9  o 700.0302 13.70769 115.3686       4.513883  115.3686       4.513883  0.000000       0.000000  700.0302 13.70769 ?        ?        0.000000       13.70769 
1 1 1 -12 8  10 o 1153.626 17.99180 313.5014       9.763579  313.5014       9.763579  0.000000       0.000000  1153.626 17.99180 ?        ?        0.000000       17.99180 
1 1 1 -12 8  11 o 213.4808 13.97609 10.77481       1.395758  12.00127       2.136466  9.861591       1.843565  224.7459 20.43173 203.6555 19.48160 21.09038       28.23098 
1 1 1 -12 8  12 o 693.5542 12.90084 113.2271       4.208891  127.4970       8.640852  108.7883       4.819246  735.1467 24.98695 679.7237 15.07222 55.42297       29.18081 
1 1 1 -12 8  13 o 175.3491 18.71883 7.327168       1.520153  3.261010       2.486977  9.752540       1.920741  119.2986 38.73397 202.3808 20.45663 -83.08221      43.80404 
1 1 1 -12 8  14 o 319.0667 13.54874 23.96966       2.033525  26.32059       3.353610  22.60263       2.557303  333.3927 21.49851 309.2190 17.65434 24.17368       27.81837 
1 1 1 -12 8  15 o 861.8624 12.60930 174.8877       5.112087  180.1243       7.589047  170.5378       6.916793  874.1605 18.45554 850.6945 17.28470 23.46594       25.28573 
1 1 1 -12 8  16 o 463.9175 13.58105 50.68774       2.963762  51.26157       4.568699  50.27081       3.894382  466.1136 20.83682 461.7759 17.92825 4.337677       27.48809 
1 1 1 -12 8  17 o 164.8402 41.48200 6.733087       3.214014  7.109130       3.708178  5.597504       6.443936  169.5014 45.53682 168.3285 61.91613 1.172882       76.85838 
1 1 1 -12 8  18 o 519.5333 13.98662 63.60630       3.418185  68.60148       5.581481  60.60853       4.323882  538.7839 22.02244 506.8114 18.13669 31.97250       28.52942 
1 1 1 -12 8  19 o 306.4725 20.26327 22.29464       2.904775  18.84067       5.906844  23.39634       3.336028  275.8240 47.22366 313.6199 22.76814 -37.79596      52.42578 
1 1 1 -12 8  20 f 974.7119 14.79828 224.1773       6.785110  218.8333       9.922235  228.8712       9.299224  961.1714 21.94519 983.5276 20.09976 -22.35620      29.75889 
1 1 1 -12 8  21 o 1082.417 15.34361 276.7683       7.812527  281.3553       11.49219  272.8271       10.65267  1088.664 22.44087 1072.607 21.11295 16.05750       30.81151 
1 1 1 -12 8  22 o 522.6390 17.73996 64.71193       4.361379  66.34979       6.018997  62.90131       6.328477  527.5618 24.25390 512.4122 26.34402 15.14960       35.80864 
1 1 1 -12 8  23 o 388.5541 18.53812 35.85526       3.388336  35.03600       5.086730  36.50870       4.542913  380.5601 28.62456 389.8199 24.90434 -9.259796      37.94195 
1 1 1 -12 8  24 o 186.6028 43.52495 9.038480       3.750463  4.615967       4.317707  22.63080       7.569469  141.5407 50.88350 290.3118 57.46214 -148.7711      76.75303 
1 1 1 -12 8  25 o 298.3459 22.66612 21.50119       3.157236  19.58143       4.756635  23.01306       4.221182  278.5286 37.23671 305.9074 29.70892 -27.37875      47.63605 
1 1 1 -12 8  26 o 145.2103 40.35611 5.538005       2.855805  6.712845       4.483770  4.736105       3.704366  158.5012 52.03566 137.3281 47.31264 21.17313       70.32920 
1 1 1 -12 8  27 o 231.3933 32.46076 13.57268       3.436074  18.00238       6.484336  11.84319       4.051698  250.8811 56.32511 210.7719 42.33528 40.10924       70.46130 
1 1 1 -12 8  28 o 360.9062 23.16311 31.83014       3.911659  37.81001       5.359174  25.01189       5.722528  389.0515 29.50302 308.2016 40.44817 80.84995       50.06478 
1 1 1 -12 8  29 o 453.4349 19.27077 49.68856       4.110393  45.47428       5.776124  54.01212       5.850537  425.8272 29.00875 466.3295 26.78303 -40.50235      39.48213 
1 1 1 -12 8  30 o 330.7070 30.28930 27.90944       4.659617  24.88377       5.420519  36.47444       9.119972  304.9118 38.66019 345.9957 58.09319 -41.08392      69.78129 
1 1 1 -12 8  31 o 124.7343 45.61443 4.216813       3.490163  -1.005351      6.075629  6.788878       4.263900  109.6630 50.58806 149.6414 50.77779 -39.97833      71.67661 
1 1 1 -12 8  32 o 257.6497 33.22601 17.83774       3.933125  16.78062       6.857925  18.35587       4.801208  213.2523 63.57528 252.7666 41.84340 -39.51433      76.10970 
1 1 1 -12 8  33 o 191.4408 50.52274 12.20158       4.616143  0.000000       0.000000  12.20158       4.616143  ?        ?        191.4408 50.52274 0.000000       50.52274 
1 1 1 -12 8  34 o 81.24464 38.21767 -1.492060      3.747345  -1.649822      4.876559  -1.264566      5.855945  90.01653 42.71587 97.51102 46.42730 -7.494499      63.08834 
1 1 1 -12 10 1  o 664.8802 10.72743 104.0472       3.355123  122.4310       5.784423  94.72656       4.118752  720.8445 17.05883 634.2557 13.80486 86.58881       21.94488 
1 1 1 -12 10 2  o 924.8069 11.37784 201.3158       4.949715  200.6746       7.051739  201.9384       6.949293  922.9625 16.24212 925.8896 15.95556 -2.927063      22.76810 
1 1 1 -12 10 3  o 931.4969 13.32083 204.2880       5.836898  212.6635       11.12247  201.1048       6.856974  949.1987 24.91006 924.0224 15.77541 25.17633       29.48516 
1 1 1 -12 10 4  o 263.9902 12.04211 16.40409       1.495408  16.48244       1.779581  16.21582       2.758549  264.1860 14.37394 261.2374 22.67277 2.948608       26.84520 
1 1 1 -12 10 5  o 1196.852 15.01832 337.2966       8.455339  342.4169       10.50629  327.8835       14.24509  1205.546 18.52662 1178.749 25.69060 26.79700       31.67400 
1 1 1 -12 10 6  o 1151.313 12.82029 312.0071       6.943216  305.3817       7.816017  336.8015       15.12017  1138.893 14.58925 1194.604 26.90688 -55.71082      30.60762 
1 1 1 -12 10 7  o 147.0030 20.08342 5.186090       1.352446  4.732292       1.470025  7.687278       3.451169  139.8351 23.15851 176.5820 42.13522 -36.74692      48.08007 
1 1 1 -12 10 8  o 1659.297 19.39681 648.6347       15.13992  662.9720       18.46289  619.2034       26.45285  1676.908 23.40567 1618.287 34.74942 58.62134       41.89687 
1 1 1 -12 10 9  o 470.8254 10.59515 52.16418       2.346584  50.15204       2.805210  56.85353       4.282457  461.6004 12.91903 491.2845 18.53065 -29.68411      22.58952 
1 1 1 -12 10 10 o 1728.642 17.32853 703.7761       14.09081  696.0953       19.39094  712.3699       20.51103  1718.123 23.99249 1737.882 25.08984 -19.75916      34.71512 
1 1 1 -12 10 11 o 440.4564 11.09514 45.65631       2.298820  48.05995       3.169399  42.98807       3.339296  451.7946 14.91305 427.2359 16.61567 24.55878       22.32666 
1 1 1 -12 10 12 o 151.2369 23.15533 5.518436       1.594880  7.363259       2.949416  4.756088       1.895987  173.0314 37.33224 139.2456 29.84315 33.78587       47.79445 
1 1 1 -12 10 13 f 530.3921 14.70426 66.24723       3.668677  56.24257       6.023765  72.14626       4.625486  487.3351 26.37487 553.3465 17.77014 -66.01135      31.80270 
1 1 1 -12 10 14 o 602.9286 11.77599 85.57601       3.339894  82.80661       4.867658  88.03968       4.591111  592.7814 17.45646 611.3215 15.96536 -18.54010      23.65630 
1 1 1 -12 10 15 o 1392.649 17.56213 457.1677       11.50504  474.0070       15.16100  434.3044       17.66591  1417.013 22.74493 1355.167 27.71238 61.84656       35.85119 
1 1 1 -12 10 16 f 343.5880 14.60067 27.81443       2.359827  27.82117       3.934666  27.81065       2.949100  342.2124 24.60661 342.9061 18.34942 -0.6937256     30.69506 
1 1 1 -12 10 17 o 950.6827 13.75566 212.9571       6.151576  224.0647       9.282948  204.2603       8.214068  974.1375 20.25799 930.3476 18.76912 43.78986       27.61641 
1 1 1 -12 10 18 o 459.7586 14.49538 49.83576       3.134937  56.20116       5.197166  46.19501       3.930516  487.3950 22.66816 442.2762 18.89238 45.11874       29.50877 
1 1 1 -12 10 19 f 240.5691 21.15443 13.80113       2.369590  12.11770       4.024529  14.69439       2.931614  221.2809 40.14187 247.5399 25.54344 -26.25903      47.57980 
1 1 1 -12 10 20 o 224.6382 22.57881 12.09139       2.353601  13.09867       3.942924  11.53381       2.933559  230.3847 37.68607 217.9426 29.36153 12.44215       47.77383 
1 1 1 -12 10 21 o 752.7908 16.27726 134.0470       5.764011  123.4245       10.57252  138.5396       6.875720  716.8624 31.35260 764.4794 19.11979 -47.61700      36.72263 
1 1 1 -12 10 22 o 312.2848 20.31995 23.28015       2.968740  19.41554       4.784696  25.69923       3.785532  280.0901 37.23806 327.0346 24.79168 -46.94458      44.73590 
1 1 1 -12 10 23 o 315.6862 20.58460 23.85172       3.040076  26.38925       4.851762  22.21144       3.900797  328.3351 31.81228 302.4567 27.72565 25.87839       42.19872 
1 1 1 -12 10 24 o 230.8735 26.82982 13.03987       2.859477  12.90493       4.554769  13.12764       3.673645  222.4167 45.07779 228.5702 35.30462 -6.153503      57.25752 
1 1 1 -12 10 25 o 275.2718 27.31371 18.59064       3.490115  25.93341       7.345767  16.44984       3.966394  310.5804 52.12667 256.0192 33.75798 54.56122       62.10307 
1 1 1 -12 10 26 o 216.6988 30.01626 11.75774       2.977561  12.44075       4.738155  11.31196       3.827826  213.6885 48.27530 207.5229 40.66603 6.165588       63.12077 
1 1 1 -12 10 27 o 152.9766 38.66560 6.213829       2.783746  -1.019023      4.216916  11.80023       3.706006  97.55004 43.87606 212.2070 38.54566 -114.6570      58.40271 
1 1 1 -12 10 28 o 488.4804 18.45126 57.40912       4.239771  57.80539       6.429406  57.10421       5.639777  482.0504 28.48010 482.1642 24.95096 -0.1137085     37.86378 
1 1 1 -12 10 29 o 136.2774 51.51185 4.770076       4.520628  4.770076       4.520628  0.000000       0.000000  136.2774 51.51185 ?        ?        0.000000       51.51185 
1 1 1 -12 10 30 o 330.5433 23.63936 27.09727       3.651385  27.96363       5.633199  26.46952       4.795127  323.4761 37.72951 319.6810 32.33150 3.795105       49.68745 
1 1 1 -12 10 31 o 173.6076 43.46014 8.777640       3.541009  5.389418       6.225229  10.39826       4.305361  139.4755 57.84361 184.7421 48.81035 -45.26657      75.68576 
1 1 1 -12 10 32 o 214.6842 38.63317 13.07827       3.758018  7.095720       6.633676  15.90562       4.560383  144.3133 59.76907 232.2622 43.33406 -87.94896      73.82536 
1 1 1 -12 10 34 o 259.3285 38.56359 20.30341       4.561124  18.99227       5.933819  22.19679       7.130650  221.5597 56.69881 224.1646 64.28717 -2.604889      85.71812 
1 1 1 -12 12 1  o 628.7355 11.67207 93.02628       3.452113  92.92509       6.323449  93.06924       4.120274  627.9999 21.40549 628.8098 13.92956 -0.8098755     25.53875 
1 1 1 -12 12 2  o 723.2615 11.77519 123.1019       4.006199  118.3413       6.408267  126.1561       5.132891  708.8203 19.21919 732.0598 14.90549 -23.23956      24.32182 
1 1 1 -12 12 3  o 1021.962 14.09849 245.8357       6.777607  243.3710       12.36824  246.8935       8.102453  1015.894 25.88155 1023.990 16.82099 -8.096313      30.86746 
1 1 1 -12 12 4  o 375.1472 11.29977 33.11765       1.994070  34.21171       2.366634  30.43995       3.702481  381.2589 13.19599 358.7368 22.04734 22.52200       25.69473 
1 1 1 -12 12 5  o 990.8468 12.11105 231.0485       5.644917  228.2157       6.465589  240.1308       11.57709  984.6607 13.95893 1009.244 24.38562 -24.58368      28.09823 
1 1 1 -12 12 6  o 547.4321 10.67278 70.51752       2.748382  70.28579       3.098203  71.37337       5.954056  546.4977 12.05181 550.2891 23.00131 -3.791382      25.96741 
1 1 1 -12 12 7  o 1765.752 24.46791 735.1262       20.32337  735.1262       20.32337  0.000000       0.000000  1765.752 24.46791 ?        ?        0.000000       24.46791 
1 1 1 -12 12 8  o 489.3029 11.47738 56.34302       2.641739  54.78757       2.911648  63.58502       6.282624  482.4676 12.82926 519.2092 25.72346 -36.74167      28.74520 
1 1 1 -12 12 9  o 926.3281 12.33649 201.9623       5.375584  200.8858       6.756397  203.8192       8.873755  923.6676 15.54999 930.0280 20.28346 -6.360352      25.55819 
1 1 1 -12 12 10 o 1184.695 13.71979 330.4092       7.645810  325.1370       10.07487  337.5692       11.74097  1174.792 18.23094 1196.742 20.85615 -21.94971      27.70102 
1 1 1 -12 12 11 o 722.5679 13.12904 122.9116       4.462529  119.8276       6.692331  125.3808       5.988159  713.0195 19.95293 729.5347 17.44930 -16.51520      26.50656 
1 1 1 -12 12 12 o 563.5484 11.52384 74.75430       3.054904  76.75790       4.212501  72.53165       4.436794  570.8633 15.68695 554.8563 16.99885 16.00708       23.13096 
1 1 1 -12 12 13 o 456.6774 13.84539 49.11261       2.974296  51.01070       5.699960  48.40241       3.486612  463.9495 26.22491 453.2533 16.35284 10.69617       30.90569 
1 1 1 -12 12 14 o 964.8702 12.82524 219.2262       5.821084  219.9458       8.290836  218.5267       8.174899  965.8657 18.24787 962.7697 18.05056 3.096008       25.66725 
1 1 1 -12 12 15 o 645.2056 12.24547 98.03317       3.716575  100.2290       5.684679  96.39392       4.911700  651.8708 18.53852 639.4810 16.32807 12.38989       24.70390 
1 1 1 -12 12 16 o 554.6357 12.68683 72.46495       3.310017  70.85773       5.098115  73.63620       4.352055  547.8438 19.78261 558.7960 16.55662 -10.95215      25.79677 
1 1 1 -12 12 17 o 1202.953 15.06074 341.2474       8.522448  352.1986       12.72062  332.3285       11.47978  1220.254 22.16098 1185.791 20.58052 34.46277       30.24346 
1 1 1 -12 12 18 o 847.5952 21.00984 170.0240       8.376847  165.8443       10.74973  176.4863       13.36662  835.3179 27.35750 859.6410 33.05484 -24.32312      42.90752 
1 1 1 -12 12 19 o 651.4083 13.62457 100.1217       4.174894  98.89063       6.587387  100.9481       5.397261  645.8200 21.68365 653.4052 17.55988 -7.585205      27.90215 
1 1 1 -12 12 20 o 255.8814 23.67469 15.70796       2.817358  15.48752       5.906362  15.77289       3.205546  245.4126 52.73403 255.6506 27.06712 -10.23802      59.27485 
1 1 1 -12 12 21 o 461.8866 16.29039 50.51245       3.539452  57.94596       5.642433  45.68966       4.544843  492.6964 24.34545 437.5138 22.15522 55.18253       32.91739 
1 1 1 -12 12 22 o 370.4778 16.90668 32.56071       2.946386  32.36967       5.068201  32.65823       3.621172  365.0122 29.77678 369.6302 20.91206 -4.618011      36.38641 
1 1 1 -12 12 23 o 168.6092 29.95439 7.088684       2.288769  3.927271       4.046478  8.575903       2.775390  133.5377 49.07268 184.8297 33.13887 -51.29208      59.21413 
1 1 1 -12 12 24 o 507.2579 18.13218 61.36869       4.326614  69.56005       8.684191  58.66409       4.990028  529.1241 35.08922 494.5905 21.44806 34.53363       41.12508 
1 1 1 -12 12 25 o 249.9229 35.29582 15.83591       4.034048  13.50632       4.652524  22.89239       8.097370  225.3008 45.46676 282.0691 62.65595 -56.76825      77.41443 
1 1 1 -12 12 26 o 226.3776 27.68412 12.72525       2.886611  13.34911       4.612022  12.32348       3.701196  222.7034 45.56033 218.1967 37.40614 4.506699       58.94881 
1 1 1 -12 12 27 o 119.1544 41.85652 3.476506       2.906007  2.204440       4.103552  4.756243       4.115904  116.2287 47.44930 137.2458 49.63440 -21.01718      68.66593 
1 1 1 -12 12 28 o 137.5856 52.84028 4.644948       4.804679  10.72235       6.686329  -1.843639      6.908817  185.6806 63.58356 117.6858 54.16427 67.99480       83.52626 
1 1 1 -12 12 29 o 195.8155 34.49135 10.09525       3.061010  8.993120       4.893984  10.80347       3.923098  172.6988 54.14556 196.8567 43.52191 -24.15790      69.46869 
1 1 1 -12 12 30 o 215.9828 35.81813 12.51572       3.511572  8.531510       6.258899  14.34600       4.242155  162.2236 60.76016 227.2199 41.20652 -64.99628      73.41508 
1 1 1 -12 12 31 o 291.2337 40.09226 23.77769       5.346914  24.39358       7.350628  23.08562       7.792018  270.3609 59.41880 253.9894 64.95932 16.37152       88.03583 
1 1 1 -12 12 32 o 101.7471 44.23106 1.526466       3.945764  3.959572       5.751575  -0.6367421     5.423197  124.0100 53.65464 101.6125 47.19530 22.39751       71.45779 
1 1 1 -12 12 33 o 157.0740 48.83625 8.560168       3.990649  9.946493       5.559654  7.086802       5.731531  156.2919 57.50777 135.9412 55.85314 20.35065       80.16681 
1 1 1 -12 14 1  o 276.4841 13.44832 17.99170       1.749071  19.27545       2.804286  17.17433       2.237656  285.2656 21.04658 269.4802 17.75154 15.78543       27.53318 
1 1 1 -12 14 2  f 1604.333 23.04963 606.5984       17.39513  0.000000       0.000000  606.5984       17.39513  ?        ?        1604.333 23.04963 0.000000       23.04963 
1 1 1 -12 14 3  o 764.2025 12.01090 137.4355       4.317707  135.5529       6.722341  138.7575       5.633312  758.6411 18.83714 767.7219 15.59878 -9.080811      24.45730 
1 1 1 -12 14 4  o 1266.799 14.35503 377.7566       8.554233  385.5152       10.20257  359.3936       15.69596  1279.535 16.95072 1234.335 27.03247 45.20020       31.90739 
1 1 1 -12 14 5  o 278.4326 14.69067 18.30097       1.917304  17.46414       2.143511  21.64982       4.288021  271.8116 16.84743 301.2645 30.68637 -29.45297      35.00699 
1 1 1 -12 14 6  o 1042.306 12.80133 255.7041       6.276531  253.5158       7.140717  263.1391       13.16213  1037.724 14.62819 1056.123 26.49368 -18.39905      30.26382 
1 1 1 -12 14 7  o 819.8325 12.87119 158.2039       4.963785  158.4337       5.771155  157.5506       9.730600  820.3194 14.95583 817.2546 25.31121 3.064758       29.39956 
1 1 1 -12 14 8  o 744.3065 12.29239 130.3947       4.303853  125.6468       4.812879  149.3460       9.615520  730.5505 14.00507 795.5827 25.69320 -65.03223      29.26231 
1 1 1 -12 14 9  o 1161.681 17.97961 317.9360       9.825087  317.9360       9.825087  0.000000       0.000000  1161.681 17.97961 ?        ?        0.000000       17.97961 
1 1 1 -12 14 10 f 470.9118 12.15432 52.20089       2.692400  49.92847       3.057622  60.04494       5.680810  460.4814 14.11570 504.4547 23.93971 -43.97330      27.79141 
1 1 1 -12 14 11 o 324.7478 14.71982 24.83752       2.248631  22.56355       2.586181  31.88288       4.552166  308.9140 17.87359 366.4334 26.59016 -57.51941      32.03907 
1 1 1 -12 14 12 o 415.9062 13.37534 40.73416       2.616793  43.67564       3.324312  35.94235       4.242955  430.5286 16.41461 389.5110 23.26312 41.01764       28.47125 
1 1 1 -12 14 13 o 219.9709 18.91043 11.49552       1.937729  11.61355       2.707468  11.37158       2.774486  220.0212 26.70696 217.5132 27.74828 2.507980       38.51271 
1 1 1 -12 14 14 o 883.7812 16.96566 184.1724       7.053176  185.2557       10.98533  183.4126       9.199882  884.7947 26.39377 881.1669 22.19498 3.627747       34.48548 
1 1 1 -12 14 15 o 583.3083 12.18404 80.14879       3.343173  86.31831       5.164509  75.69872       4.386188  604.7813 18.15354 566.5282 16.45873 38.25311       24.50390 
1 1 1 -12 14 16 o 577.1733 12.48271 78.50265       3.389101  83.69366       5.323147  74.96410       4.394956  595.1991 19.01240 563.6032 16.57722 31.59589       25.22450 
1 1 1 -12 14 17 o 287.0750 16.09789 19.51784       2.165102  25.12637       4.087217  17.33016       2.552676  324.0129 27.06389 269.8846 20.25478 54.12836       33.80400 
1 1 1 -12 14 18 o 438.7406 13.90690 45.42916       2.870169  44.08752       4.903338  46.12845       3.540007  430.0421 24.33867 441.7285 17.03646 -11.68646      29.70879 
1 1 1 -12 14 19 o 175.4705 24.78112 7.473821       1.988550  6.041634       3.888433  7.981035       2.314038  156.0666 48.15480 180.6799 28.14291 -24.61331      55.77552 
1 1 1 -12 14 20 f 166.0595 27.70271 6.776880       2.087752  5.478084       3.855543  7.315696       2.483335  149.3928 48.20102 171.6232 31.93554 -22.23039      57.82056 
1 1 1 -12 14 21 o 180.1825 25.35619 7.923719       2.089691  14.12405       4.249178  5.945762       2.399971  236.9036 39.52217 153.5462 34.11381 83.35741       52.20875 
1 1 1 -12 14 22 o 650.2708 25.33993 101.6811       7.751202  113.4364       10.77236  89.06065       11.16172  681.1880 33.61819 597.8601 39.91774 83.32794       52.18821 
1 1 1 -12 14 23 o 150.9190 36.14511 5.850476       2.532181  3.391796       6.115603  6.359208       2.781843  142.7317 58.05799 156.9221 38.07373 -14.19044      69.42867 
1 1 1 -12 14 24 o 388.3111 17.31287 35.95772       3.162410  39.10162       5.383207  34.30099       3.907807  399.1786 28.86304 377.0233 22.13113 22.15524       36.37117 
1 1 1 -12 14 25 o 222.2414 24.83498 12.11944       2.551925  12.09042       4.443130  12.13372       3.117397  212.2450 45.84284 219.9184 30.99389 -7.673462      55.33703 
1 1 1 -12 14 26 o 222.7072 27.68192 12.33757       2.837449  9.873079       4.365090  14.14090       3.733943  188.9069 48.78266 235.1594 34.80618 -46.25252      59.92677 
1 1 1 -12 14 27 o 237.7227 28.85228 14.17815       3.160295  24.16766       6.760030  11.38430       3.575016  294.7107 50.58398 208.0539 37.92598 86.65677       63.22277 
1 1 1 -12 14 28 o 325.8646 24.43234 26.21658       3.717908  29.00724       5.440998  23.77230       5.092153  334.7831 35.07038 301.5807 36.64769 33.20236       50.72460 
1 1 1 -12 14 29 o 241.2033 31.31264 15.03393       3.468996  11.53092       6.356519  16.51976       4.139832  186.9325 61.98524 249.2856 36.37462 -62.35313      71.86990 
1 1 1 -12 14 30 o 574.2065 39.12128 90.07135       10.50400  90.07135       10.50400  0.000000       0.000000  574.2065 39.12128 ?        ?        0.000000       39.12128 
1 1 1 -12 14 31 o 91.43755 38.65177 1.174590       2.861258  6.923306       5.309789  -1.177757      3.396586  144.4381 55.53026 82.29652 37.91414 62.14162       67.23907 
1 1 1 -12 14 32 o 97.04627 45.07038 -0.5873960     4.944050  -0.5873960     4.944050  0.000000       0.000000  97.04627 45.07038 ?        ?        0.000000       45.07038 
1 1 1 -12 16 1  o 1219.187 13.68688 349.8881       7.849539  373.4138       11.87348  331.6237       10.46188  1258.928 20.04970 1186.522 18.74410 72.40649       27.44689 
1 1 1 -12 16 2  o 521.0018 14.47087 63.90214       3.546527  52.76457       7.109993  67.59114       4.091932  471.4842 32.25137 535.7658 16.23619 -64.28165      36.10769 
1 1 1 -12 16 3  o 1695.925 19.54367 677.6352       15.59129  661.4150       25.52820  687.2850       19.69032  1672.997 32.43812 1707.120 24.51994 -34.12341      40.66275 
1 1 1 -12 16 4  o 577.0710 12.09148 78.37767       3.282299  76.90250       4.794131  79.67925       4.503254  571.3871 17.83652 581.6749 16.45799 -10.28784      24.26946 
1 1 1 -12 16 5  o 604.3712 13.37013 85.98475       3.801095  89.21778       4.621115  79.22117       6.683901  615.5157 15.96020 579.5242 24.51823 35.99152       29.25529 
1 1 1 -12 16 6  o 600.8094 15.62148 85.00613       4.414974  85.00613       4.414974  0.000000       0.000000  600.8094 15.62148 ?        ?        0.000000       15.62148 
1 1 1 -12 16 7  o 1573.142 18.73439 583.1689       13.86363  577.6208       16.42591  596.9085       25.84917  1565.024 22.31202 1587.962 34.60487 -22.93762      41.17430 
1 1 1 -12 16 8  o 527.3566 11.94413 65.46436       2.962976  63.14145       3.245042  77.11059       7.266020  517.8640 13.32095 571.3799 27.03350 -53.51587      30.13732 
1 1 1 -12 16 9  o 658.7830 12.45801 102.1750       3.860649  102.1989       4.321604  102.0809       8.590925  658.7791 13.94556 657.2153 27.78836 1.563721       31.09134 
1 1 1 -12 16 10 o 734.2286 12.45110 126.9296       4.300394  128.5850       5.156494  123.1482       7.793388  738.8365 14.83669 722.2930 22.93737 16.54346       27.31758 
1 1 1 -12 16 11 o 563.7708 12.82726 74.84961       3.401778  80.04791       4.035590  62.08833       6.323001  582.9035 14.71774 511.7663 26.35477 71.13718       30.18585 
1 1 1 -12 16 12 o 427.0716 13.99392 42.97099       2.811315  47.94267       3.354351  31.23516       5.153636  450.9960 15.81126 361.7014 30.57609 89.29465       34.42228 
1 1 1 -12 16 13 o 284.4408 19.43457 19.18892       2.584810  20.69147       2.886747  13.11237       5.805282  295.2289 20.92197 228.3157 54.75826 66.91325       58.61908 
1 1 1 -12 16 14 o 328.5950 16.58925 25.54137       2.555942  27.72702       3.467532  22.94099       3.782232  341.7362 21.68280 309.9989 26.18186 31.73734       33.99461 
1 1 1 -12 16 15 f 457.7515 13.83932 49.41156       2.979983  48.76274       4.340800  49.98992       4.098312  454.0546 20.32321 459.9010 18.94399 -5.846375      27.78323 
1 1 1 -12 16 16 o 356.2635 15.07031 29.96082       2.525590  28.92726       3.863204  30.73227       3.337611  348.3520 23.71662 359.8155 19.79521 -11.46350      30.89220 
1 1 1 -12 16 17 o 338.3412 19.39656 27.20042       3.074205  0.000000       0.000000  27.20042       3.074205  ?        ?        338.3412 19.39656 0.000000       19.39656 
1 1 1 -12 16 18 o 793.7613 13.44505 148.7739       5.020205  153.5665       7.715934  145.2559       6.610785  804.3953 20.39153 783.1203 17.94549 21.27496       27.16348 
1 1 1 -12 16 19 o 215.5828 33.56625 11.48536       3.293194  13.82776       3.747343  3.540429       6.901426  236.6043 34.70026 153.0575 61.88425 83.54681       70.94906 
1 1 1 -12 16 20 o 164.5059 25.41057 6.629282       1.903010  2.689449       3.816873  7.932634       2.195330  121.8500 47.01670 179.9165 26.75370 -58.06641      54.09557 
1 1 1 -12 16 21 o 387.1072 15.67484 35.54355       2.854327  27.96731       4.741755  39.84883       3.574480  338.3802 30.10404 409.1897 18.57030 -70.80951      35.37103 
1 1 1 -12 16 22 o 231.3895 21.07141 12.91235       2.268406  7.805550       4.024298  15.29059       2.746271  171.7178 47.97116 251.2307 23.51155 -79.51291      53.42308 
1 1 1 -12 16 23 o 311.8716 20.71309 23.40453       3.021433  0.000000       0.000000  23.40453       3.021433  ?        ?        311.8716 20.71309 0.000000       20.71309 
1 1 1 -12 16 24 o 369.5072 16.71317 32.54776       2.905032  29.95180       4.784815  34.06334       3.655977  348.5184 29.46170 376.1244 20.74364 -27.60596      36.03180 
1 1 1 -12 16 25 o 299.9169 20.05778 21.70500       2.813468  18.59542       4.515343  23.67845       3.597097  269.7404 36.52507 311.2955 24.76951 -41.55505      44.13173 
1 1 1 -12 16 26 o 102.1096 42.92970 1.046425       3.498954  1.324567       4.092995  0.2913793      6.743640  110.0531 46.35874 126.6785 56.33486 -16.62536      72.95718 
1 1 1 -12 16 27 o 148.0870 36.97217 5.853561       2.567582  0.6700382      4.347059  8.630790       3.181917  107.2286 46.51960 179.5252 38.80974 -72.29660      60.58274 
1 1 1 -12 16 28 o 236.4303 26.05499 14.01354       2.849652  10.69171       4.346907  16.51699       3.773651  192.3938 48.14652 252.7949 32.48562 -60.40108      58.08100 
1 1 1 -12 16 29 f 141.8997 45.15299 5.812721       3.392292  0.000000       0.000000  5.812721       3.392292  ?        ?        141.8997 45.15299 0.000000       45.15299 
1 1 1 -12 16 30 o 146.6641 41.22585 6.266419       2.962583  2.947682       5.297094  7.777038       3.573787  120.6696 51.84696 160.5285 45.33414 -39.85886      68.87156 
1 1 1 -12 16 31 o 103.8310 42.56841 2.411355       3.320350  2.975625       4.620049  1.808561       4.775158  114.3431 48.75452 108.4673 47.85949 5.875816       68.31934 
1 1 1 -12 18 1  o 1174.608 13.62806 324.8275       7.530020  344.0081       11.28906  309.4538       10.10686  1208.122 19.86450 1145.971 18.74879 62.15039       27.31512 
1 1 1 -12 18 2  o 1142.613 13.34613 307.3663       7.173385  304.8158       9.916913  310.1653       10.38894  1137.354 18.53580 1147.208 19.25129 -9.853027      26.72430 
1 1 1 -12 18 3  o 271.7423 15.83091 17.45132       2.014870  16.07313       2.663877  19.29389       3.080149  260.1450 21.97414 285.0515 23.17151 -24.90649      31.93402 
1 1 1 -12 18 4  o 1218.364 15.67040 349.6310       8.981038  339.1796       14.19049  356.6146       11.59980  1198.675 25.16672 1229.917 20.04959 -31.24207      32.17686 
1 1 1 -12 18 5  o 368.7868 17.51493 32.04779       3.038456  32.04779       3.038456  0.000000       0.000000  368.7868 17.51493 ?        ?        0.000000       17.51493 
1 1 1 -12 18 6  o 93.54204 33.91687 1.705841       1.923707  1.104543       2.127824  4.396552       4.501161  89.06153 34.89790 145.9313 52.00694 -56.86979      62.63054 
1 1 1 -12 18 7  o 1264.160 16.29700 376.5657       9.691233  372.1092       11.35415  388.5256       18.60028  1256.208 19.21428 1281.041 30.86647 -24.83362      36.35831 
1 1 1 -12 18 8  o 310.4932 14.43725 22.71041       2.108657  21.40657       2.247679  32.28300       6.090272  300.9781 15.93233 367.0350 35.72730 -66.05698      39.11879 
1 1 1 -12 18 9  o 755.9502 15.69148 134.6829       5.579902  134.6017       6.686813  134.8692       10.12570  755.3848 18.81835 754.7018 28.52204 0.6829224      34.17071 
1 1 1 -12 18 10 o 462.9615 12.80358 50.48811       2.788340  48.75148       2.996828  61.68253       7.608679  454.8617 14.00597 508.7280 31.95703 -53.86633      34.89153 
1 1 1 -12 18 11 o 372.6303 17.23820 32.75994       3.021616  33.89991       3.381044  28.23722       6.734482  378.4550 19.05286 340.6834 42.97908 37.77155       47.01290 
1 1 1 -12 18 12 o 305.7589 16.63029 22.12541       2.382933  22.26439       2.669220  21.57977       5.288806  306.4849 18.60225 297.9239 38.64901 8.560974       42.89277 
1 1 1 -12 18 13 o 509.3058 14.34103 61.17892       3.435804  63.46535       4.062490  55.43507       6.438942  518.4849 16.65662 482.0216 28.52435 36.46329       33.03152 
1 1 1 -12 18 14 o 576.3007 17.45784 78.48276       4.732699  78.48276       4.732699  0.000000       0.000000  576.3007 17.45784 ?        ?        0.000000       17.45784 
1 1 1 -12 18 15 o 757.7446 16.79986 135.7190       5.988220  148.1570       10.28111  129.3331       7.366787  788.3492 27.72375 738.6197 21.20254 49.72949       34.90206 
1 1 1 -12 18 16 o 560.2406 25.50413 74.79192       6.721316  74.79192       6.721316  0.000000       0.000000  560.2406 25.50413 ?        ?        0.000000       25.50413 
1 1 1 -12 18 17 o 159.5017 29.36161 6.285078       2.121826  5.314337       3.372807  6.920897       2.729648  146.3316 44.79845 166.0470 35.98573 -19.71544      57.46193 
1 1 1 -12 18 18 o 256.1954 18.28750 15.65177       2.189437  14.13380       3.768258  16.42538       2.690094  239.1713 34.49063 261.6841 22.05918 -22.51280      40.94156 
1 1 1 -12 18 19 o 142.9505 28.14153 5.082589       1.824990  13.73250       3.827180  2.536861       2.076247  234.7500 35.79027 104.8983 35.43394 129.8516       50.36375 
1 1 1 -12 18 20 o 506.1581 19.91865 61.07829       4.742589  61.81500       5.455481  58.79906       9.595719  508.1342 22.82367 483.6225 42.61503 24.51166       48.34212 
1 1 1 -12 18 21 o 92.97281 32.49405 1.918168       1.750314  8.656004       3.948310  0.2701740      1.952670  181.2330 46.18042 76.03474 32.02411 105.1983       56.19764 
1 1 1 -12 18 22 o 96.59601 34.07013 2.070179       1.926953  0.9928657      5.036548  2.254916       2.085635  119.5358 50.93510 100.4889 35.44498 19.04694       62.05426 
1 1 1 -12 18 23 o 543.3031 14.64623 70.11183       3.743150  62.88562       5.953836  74.83486       4.813403  509.8970 24.82248 559.7802 18.27954 -49.88324      30.82689 
1 1 1 -12 18 24 o 426.6441 15.86612 43.36701       3.184240  33.99931       5.041463  49.58439       4.107181  371.2086 29.10471 454.8569 19.19551 -83.64832      34.86477 
1 1 1 -12 18 25 o 205.5935 25.54308 10.45732       2.417076  12.62913       4.352196  9.488705       2.906524  216.7495 44.18420 192.4798 33.30679 24.26970       55.33159 
1 1 1 -12 18 26 o 203.6775 25.64153 10.32283       2.402274  15.28691       4.566709  8.423630       2.824678  238.6997 42.21515 179.7116 34.66986 58.98808       54.62708 
1 1 1 -12 18 27 o 382.3795 24.96783 36.18777       4.466365  31.96344       5.098761  50.11891       9.259316  354.6748 30.86863 425.0820 47.09750 -70.40723      56.31205 
1 1 1 -12 18 28 o 148.5845 40.32082 6.175117       2.890097  8.638526       5.608940  5.284670       3.372223  165.0422 58.13619 136.7561 45.13827 28.28604       73.60217 
1 1 1 -12 18 29 o 188.2233 33.95364 9.556553       2.895671  9.179549       5.183748  9.727551       3.491143  166.5816 55.99027 184.4737 41.26424 -17.89203      69.55320 
1 1 1 -12 18 30 o 160.4849 53.52862 8.775269       4.737863  0.000000       0.000000  8.775269       4.737863  ?        ?        160.4849 53.52862 0.000000       53.52862 
1 1 1 -12 20 1  o 972.1251 19.20602 222.8743       8.782716  244.9465       13.90796  208.2343       11.32691  1017.353 29.06179 938.6600 25.65273 78.69299       38.76403 
1 1 1 -12 20 2  o 545.4473 11.56235 70.04568       2.966664  72.74928       3.947929  66.53879       4.496361  555.6769 15.10350 531.2386 17.99294 24.43835       23.49174 
1 1 1 -12 20 3  o 753.2803 13.22393 133.6421       4.685830  135.4153       5.597421  129.4887       8.566613  758.0505 15.69714 740.2453 24.60164 17.80524       29.18289 
1 1 1 -12 20 4  o 700.7344 12.74065 115.6432       4.199661  118.6385       6.425828  113.4098       5.548683  709.1495 19.26291 693.5767 17.00694 15.57275       25.69622 
1 1 1 -12 20 5  o 865.3995 18.10033 176.6415       7.368389  176.6415       7.368389  0.000000       0.000000  865.3995 18.10033 ?        ?        0.000000       18.10033 
1 1 1 -12 20 6  o 208.9386 22.26720 10.42973       2.154816  9.379681       2.349593  15.98692       5.405245  197.4309 25.92609 254.3570 46.90350 -56.92612      53.59198 
1 1 1 -12 20 7  o 208.6774 21.73317 10.39966       2.102076  11.80465       2.315654  3.819858       5.011224  222.3654 22.44509 144.4154 54.31332 77.94997       58.76835 
1 1 1 -12 20 8  o 650.6408 12.76869 99.74168       3.908021  102.4336       4.420085  90.10107       8.364731  659.2216 14.25378 616.2042 28.85745 43.01733       32.18575 
1 1 1 -12 20 9  o 917.8033 17.30263 198.8187       7.470181  204.2509       9.256665  188.6742       12.64967  929.4511 21.17184 890.9108 30.18391 38.54028       36.86890 
1 1 1 -12 20 10 o 486.2025 12.70571 55.71540       2.905932  54.30296       3.103054  65.78478       8.285262  479.9153 13.74534 523.9834 33.79412 -44.06812      36.48256 
1 1 1 -12 20 11 o 128.9230 26.46603 4.090052       1.551283  3.874382       1.612258  6.780619       5.694587  125.2218 28.06530 171.3702 58.67894 -46.14839      65.04520 
1 1 1 -12 20 12 o 345.5606 14.36460 28.17738       2.335000  28.17738       2.335000  0.000000       0.000000  345.5606 14.36460 ?        ?        0.000000       14.36460 
1 1 1 -12 20 13 o 191.0693 21.53220 8.763590       1.901561  9.147038       2.058314  6.529853       4.967911  195.0122 22.87217 165.2025 54.79898 29.80968       59.38067 
1 1 1 -12 20 14 o 728.3490 17.06847 125.4896       5.847947  125.4896       5.847947  0.000000       0.000000  728.3490 17.06847 ?        ?        0.000000       17.06847 
1 1 1 -12 20 15 o 647.0660 18.72869 99.24386       5.700663  99.24386       5.700663  0.000000       0.000000  647.0660 18.72869 ?        ?        0.000000       18.72869 
1 1 1 -12 20 16 f 231.5344 32.13250 13.15846       3.405344  18.42450       5.294869  9.443770       4.447080  270.8414 42.99623 191.1430 49.17616 79.69846       65.32205 
1 1 1 -12 20 17 o 119.3751 38.58971 3.422789       2.470352  2.569230       3.496639  4.273393       3.490579  118.1043 45.14410 134.7553 45.94191 -16.65099      64.41001 
1 1 1 -12 20 18 f 108.3570 36.43554 2.730925       2.195185  3.338314       3.376568  2.286267       2.889051  124.0625 44.94231 109.2496 41.20781 14.81293       60.97454 
1 1 1 -12 20 19 o 567.8751 13.97154 76.35096       3.732214  72.33300       5.405556  80.01122       5.159344  550.5019 20.87432 579.7386 18.91877 -29.23676      28.17192 
1 1 1 -12 20 20 o 98.61780 40.34535 1.101497       2.974700  2.160376       3.323102  -3.168847      6.673472  111.7694 43.66240 116.8243 53.56987 -5.054985      69.10959 
1 1 1 -12 20 21 o 535.2573 14.12845 67.92644       3.557349  59.01611       5.587973  73.99825       4.612820  495.2167 23.98776 557.4474 17.59111 -62.23071      29.74659 
1 1 1 -12 20 22 o 690.9808 14.32092 113.3240       4.654857  96.55720       6.647727  129.4530       6.520053  633.7443 22.29923 736.0929 18.82995 -102.3486      29.18600 
1 1 1 -12 20 23 o 107.5769 33.59325 2.882307       1.885946  -0.5309605     3.843571  3.964691       2.164414  96.80564 42.81453 124.2083 35.35133 -27.40261      55.52297 
1 1 1 -12 20 24 o 292.4661 21.59959 20.75361       2.950574  5.873960       6.208339  25.09513       3.353513  154.8835 59.90730 321.4230 22.31793 -166.5394      63.92945 
1 1 1 -12 20 25 o 239.7693 21.10463 14.01101       2.356091  9.590005       3.780955  16.81755       3.012501  187.4615 43.68543 261.1754 24.81855 -73.71387      50.24318 
1 1 1 -12 20 26 o 253.5252 21.07123 15.72100       2.490161  11.15319       3.981665  18.65535       3.191292  201.0678 43.37164 274.2388 25.01342 -73.17101      50.06765 
1 1 1 -12 20 27 o 211.0999 55.91051 13.84958       5.640108  13.84958       5.640108  0.000000       0.000000  211.0999 55.91051 ?        ?        0.000000       55.91051 
1 1 1 -12 20 28 o 169.5103 34.74548 7.802304       2.677469  5.823425       4.613110  8.807571       3.287948  140.1173 52.22570 176.3459 40.49090 -36.22865      66.08356 
1 1 1 -12 22 1  o 296.3044 19.59494 20.82319       2.715768  18.20452       5.425381  21.69873       3.137086  272.2316 43.85633 302.1438 22.22817 -29.91220      49.16776 
1 1 1 -12 22 2  o 573.8154 11.50391 77.55372       3.105181  82.08508       4.191760  72.04309       4.622555  590.0372 15.10246 552.5067 17.78588 37.53046       23.33285 
1 1 1 -12 22 3  o 494.1027 11.58268 57.50682       2.692127  54.23583       3.420153  62.83429       4.364820  479.5908 15.16022 515.9426 17.98439 -36.35181      23.52170 
1 1 1 -12 22 4  o 265.5473 15.73422 16.69044       1.956663  17.39185       2.294664  14.82164       3.745538  270.8166 18.11703 247.3848 33.00997 23.43182       37.65481 
1 1 1 -12 22 5  o 215.2896 21.40171 11.06799       2.138682  12.65945       2.362886  3.855530       5.030201  230.2859 22.08335 144.3837 54.39365 85.90219       58.70557 
1 1 1 -12 22 6  o 630.1444 28.83219 94.38171       8.546474  0.000000       0.000000  94.38171       8.546474  ?        ?        630.1444 28.83219 0.000000       28.83219 
1 1 1 -12 22 7  o 371.2488 38.22886 33.38288       6.580684  0.000000       0.000000  33.38288       6.580684  ?        ?        371.2488 38.22886 0.000000       38.22886 
1 1 1 -12 22 8  o 313.9806 15.83535 23.32975       2.331300  23.28848       2.510674  23.58799       6.280559  313.5443 17.08691 309.4222 44.42391 4.122070       47.59671 
1 1 1 -12 22 9  o 295.0445 14.64571 20.54305       2.032672  20.54305       2.032672  0.000000       0.000000  295.0445 14.64571 ?        ?        0.000000       14.64571 
1 1 1 -12 22 10 o 265.4506 15.35511 16.69426       1.909181  17.58613       2.015260  8.885257       5.963151  272.4160 15.79418 189.0030 59.83642 83.41295       61.88581 
1 1 1 -12 22 11 o 359.2598 15.13218 30.48513       2.557287  30.48513       2.557287  0.000000       0.000000  359.2598 15.13218 ?        ?        0.000000       15.13218 
1 1 1 -12 22 12 o 297.6606 14.73450 20.93061       2.063126  21.19017       2.169175  18.46909       6.680059  299.0393 15.47342 267.9700 54.84113 31.06927       56.98225 
1 1 1 -12 22 13 o 312.3078 15.30436 23.05964       2.248367  23.34011       2.383971  20.80262       6.762864  313.6913 16.21123 285.1074 52.35516 28.58395       54.80754 
1 1 1 -12 22 14 o 287.2197 16.83130 19.60179       2.264129  18.63261       2.389658  28.10642       7.078829  279.7498 18.25934 334.4818 46.22585 -54.73206      49.70144 
1 1 1 -12 22 15 o 532.9879 23.69286 67.80619       5.940243  67.80619       5.940243  0.000000       0.000000  532.9879 23.69286 ?        ?        0.000000       23.69286 
1 1 1 -12 22 16 o 382.3312 18.64285 34.72317       3.352907  37.63498       4.045597  28.33579       5.991874  396.7616 21.75926 338.1645 38.34523 58.59708       44.08880 
1 1 1 -12 22 17 o 84.61844 38.50010 -1.784671      3.360340  2.219679       5.195420  -4.664620      4.406026  130.4468 53.33744 86.34039 40.86370 44.10638       67.19170 
1 1 1 -12 22 18 o 140.5705 37.34154 5.033298       2.511021  5.142960       3.110111  4.827975       4.255676  142.4253 42.89370 143.3926 50.62567 -0.9673767     66.35381 
1 1 1 -12 22 19 o 155.1383 33.91150 6.104635       2.405706  1.181664       3.187486  12.62045       3.667068  101.9449 41.74149 224.0490 36.01423 -122.1041      55.13054 
1 1 1 -12 22 20 f 232.9192 21.55212 13.09909       2.334606  14.00573       3.640116  12.46557       3.042845  236.7436 33.63200 224.6535 29.50744 12.09010       44.74149 
1 1 1 -12 22 21 f 124.3667 46.97075 3.254216       3.756732  0.1400714      4.526038  10.15161       6.735831  109.1138 47.40259 190.7807 63.82579 -81.66689      79.50307 
1 1 1 -12 22 22 o 300.6024 18.38626 21.68657       2.587392  17.70364       4.235830  24.05722       3.267907  264.6195 34.87879 315.2664 22.17671 -50.64691      41.33203 
1 1 1 -12 22 23 o 305.2136 29.31434 23.15015       4.156977  23.15015       4.156977  0.000000       0.000000  305.2136 29.31434 ?        ?        0.000000       29.31434 
1 1 1 -12 22 24 o 309.9462 17.74070 23.12650       2.575841  16.44814       3.941715  28.10401       3.402959  253.4372 33.91360 340.0541 21.38240 -86.61687      40.09163 
1 1 1 -12 22 25 f 213.3296 26.82749 11.42639       2.632617  0.5338883      5.728294  14.34310       2.964206  117.5882 52.12401 239.3391 26.78784 -121.7509      58.60461 
1 1 1 -12 22 26 o 191.3970 28.46515 9.378810       2.484795  7.586208       4.619938  10.10842       2.947401  158.9463 52.85078 196.1678 33.11989 -37.22150      62.37092 
1 1 1 -12 22 27 o 181.0427 52.23104 10.26457       4.694303  10.26457       4.694303  0.000000       0.000000  181.0427 52.23104 ?        ?        0.000000       52.23104 
1 1 1 -12 24 1  o 365.5788 13.54846 31.51601       2.329916  30.70749       3.045600  32.65686       3.617781  360.5047 17.95944 370.9077 20.81933 -10.40305      27.49520 
1 1 1 -12 24 2  o 480.1364 12.11938 54.33619       2.737251  57.22963       3.574033  50.23119       4.257043  492.4309 15.42922 460.8512 19.63713 31.57968       24.97354 
1 1 1 -12 24 3  o 229.3703 16.61069 12.48895       1.780096  11.59514       2.147956  14.44905       3.180820  220.3377 20.97692 244.8751 28.12410 -24.53743      35.08555 
1 1 1 -12 24 4  o 492.6216 12.97668 57.22483       3.007089  56.15040       3.571889  59.83948       5.572085  487.6996 15.56956 502.2652 23.58389 -14.56555      28.25970 
1 1 1 -12 24 5  o 196.0773 22.88366 9.238553       2.070974  9.001452       2.243292  10.60642       5.388180  193.0504 25.31276 203.9758 54.93047 -10.92542      60.48216 
1 1 1 -12 24 6  o 181.0167 25.98416 7.946865       2.149122  8.241256       2.348037  6.426873       5.335360  183.9753 28.01634 166.1167 56.79839 17.85860       63.33224 
1 1 1 -12 24 7  f 335.0548 14.30919 26.49909       2.255278  25.28484       2.416652  34.69085       6.276957  327.1685 15.70266 378.2715 35.69785 -51.10294      38.99885 
1 1 1 -12 24 8  o 455.7594 11.94633 48.98481       2.561176  51.98877       2.781230  32.22355       6.569661  469.4568 12.59424 363.1078 39.07786 106.3489       41.05720 
1 1 1 -12 24 9  o 578.8698 11.25352 79.01060       3.064351  82.14867       3.346061  62.69322       7.630071  590.1450 12.05330 510.2301 31.95129 79.91489       34.14919 
1 1 1 -12 24 10 o 219.0038 15.65035 11.39579       1.601676  11.11292       1.663793  14.97325       5.916892  216.1326 16.48919 240.9087 53.59529 -24.77609      56.07449 
1 1 1 -12 24 11 f 359.6051 14.35688 30.55526       2.428596  29.23791       2.562157  42.21165       7.621443  351.6356 15.48972 414.7764 39.54073 -63.14081      42.46646 
1 1 1 -12 24 12 o 182.7065 22.95184 8.069365       1.929075  9.222853       2.036667  -1.990785      6.014724  195.5969 22.54839 117.2516 52.59547 78.34538       57.22512 
1 1 1 -12 24 13 o 406.9621 15.70421 39.19541       3.006348  40.05108       3.306015  35.10702       7.226505  411.1460 17.09384 376.2913 41.51705 34.85468       44.89838 
1 1 1 -12 24 14 o 363.4803 17.03671 31.31471       2.912970  31.63705       3.178319  29.62248       7.282331  364.6190 18.59233 342.6488 46.37188 21.97015       49.96024 
1 1 1 -12 24 15 o 155.8468 30.77170 6.057018       2.175835  6.538416       2.310792  2.293104       6.461431  161.8875 31.47791 141.8679 58.89111 20.01959       66.77591 
1 1 1 -12 24 16 o 233.5607 21.91241 13.12758       2.379316  12.09085       2.512054  22.16706       7.417676  223.4799 24.28675 289.3670 56.52141 -65.88705      61.51842 
1 1 1 -12 24 17 o 173.2987 44.17912 7.796427       3.612335  7.675387       4.174909  8.156957       7.205325  171.3813 49.20269 181.2354 65.65178 -9.854080      82.04305 
1 1 1 -12 24 18 o 273.7688 43.00965 19.16748       5.356235  34.24495       7.283948  1.415280       7.903667  367.4488 42.95106 146.1088 63.05665 221.3400       76.29505 
1 1 1 -12 24 19 o 473.7846 22.18797 53.84345       4.945018  53.84345       4.945018  0.000000       0.000000  473.7846 22.18797 ?        ?        0.000000       22.18797 
1 1 1 -12 24 20 o 183.4421 36.10273 8.624226       3.004427  17.75862       4.983722  3.409318       3.765626  262.1750 41.81525 125.7172 47.12075 136.4578       62.99905 
1 1 1 -12 24 21 o 184.3655 30.77560 8.568547       2.574955  9.146454       3.675812  8.011705       3.608200  185.4799 42.97192 173.0052 44.18071 12.47476       61.63214 
1 1 1 -12 24 22 o 158.4194 40.49517 6.691471       3.029255  8.430544       3.500226  1.502081       6.046379  177.1565 42.53848 127.9418 55.18445 49.21478       69.67672 
1 1 1 -12 24 23 o 257.2065 21.43663 16.13118       2.570006  12.42406       3.641264  19.81103       3.627846  218.0695 36.80702 282.0243 27.70353 -63.95476      46.06780 
1 1 1 -12 24 24 o 269.0518 19.73122 17.61395       2.479819  16.83877       3.678002  18.26004       3.357815  256.8746 31.06994 270.2755 26.76250 -13.40082      41.00698 
1 1 1 -12 26 1  o 462.9521 12.61143 50.54988       2.746437  51.98729       3.782199  48.94650       3.994596  468.9356 17.14596 454.7981 18.67174 14.13748       25.34991 
1 1 1 -12 26 2  o 542.6025 12.02422 69.42542       3.069079  76.95945       4.276031  61.42052       4.407627  570.7339 15.92714 509.4887 18.39081 61.24521       24.32891 
1 1 1 -12 26 3  o 514.7000 11.90302 62.46865       2.881911  64.96284       3.821617  59.18018       4.388135  524.4084 15.49203 500.0369 18.65558 24.37146       24.24940 
1 1 1 -12 26 4  o 463.8468 11.99841 50.73979       2.617988  51.30301       3.351094  49.85765       4.193892  466.0269 15.28644 458.8049 19.43211 7.222046       24.72412 
1 1 1 -12 26 5  o 442.3470 14.98765 46.21947       3.118644  45.62456       3.546964  48.24614       6.546639  439.1981 17.16829 447.7127 31.28150 -8.514648      35.68309 
1 1 1 -12 26 6  o 127.2885 32.28761 4.037081       1.936237  3.881629       2.106440  4.884067       4.916876  125.0802 34.62286 150.2277 54.26164 -25.14754      64.36667 
1 1 1 -12 26 7  o 267.1403 21.84704 17.05757       2.721351  18.77467       3.159998  12.12842       5.353958  279.8492 24.24407 216.8842 52.94127 62.96500       58.22845 
1 1 1 -12 26 8  o 319.4762 13.18575 24.09386       1.981585  23.76544       2.095412  26.87277       6.095218  317.2135 14.04263 330.3124 40.04651 -13.09888      42.43723 
1 1 1 -12 26 9  o 210.9061 15.16573 10.56835       1.494557  10.23974       1.550413  14.88407       5.618678  207.4626 16.01071 240.6885 51.20025 -33.22589      53.64521 
1 1 1 -12 26 10 o 222.7712 26.72419 12.02430       2.744588  12.02430       2.744588  0.000000       0.000000  222.7712 26.72419 ?        ?        0.000000       26.72419 
1 1 1 -12 26 11 o 169.4705 21.18670 6.930788       1.652084  7.192303       1.716674  3.650416       6.079967  172.5975 21.61807 148.1801 58.69682 24.41747       62.55124 
1 1 1 -12 26 12 o 224.7495 17.26904 12.03995       1.811765  12.28976       1.897035  9.447087       6.111675  226.9688 17.91367 191.1825 60.58241 35.78638       63.17537 
1 1 1 -12 26 13 o 274.9978 20.20729 18.07839       2.595698  19.76197       2.821779  8.816885       6.618303  287.3971 21.01813 186.5473 63.26229 100.8498       66.66242 
1 1 1 -12 26 14 o 366.5410 18.29090 31.90976       3.153747  31.41256       3.489615  34.12604       7.367602  362.6576 20.53993 368.8196 43.28936 -6.162018      47.91510 
1 1 1 -12 26 15 o 298.9164 17.98118 21.30536       2.516586  22.60130       2.716064  13.44233       6.690260  307.6987 18.85579 222.0703 61.78685 85.62839       64.59997 
1 1 1 -12 26 16 o 229.1692 24.12426 12.73120       2.561579  12.73120       2.561579  0.000000       0.000000  229.1692 24.12426 ?        ?        0.000000       24.12426 
1 1 1 -12 26 17 o 115.4490 35.87861 3.297937       2.154192  2.952363       2.320798  5.448871       5.790030  111.6044 37.46382 155.0941 58.37130 -43.48979      69.35954 
1 1 1 -12 26 18 o 201.3477 26.07528 9.956336       2.411695  9.751693       2.623369  11.07313       6.128390  198.2771 28.98241 199.2777 60.25543 -1.000626      66.86327 
1 1 1 -12 26 19 o 121.2431 42.86967 3.454632       3.052696  8.249109       5.963536  1.752220       3.553576  174.3855 60.03334 109.4911 44.35828 64.89438       74.64355 
1 1 1 -12 26 20 o 197.6540 29.06763 9.774267       2.621897  8.025930       3.407269  12.31245       4.105403  173.5601 42.15305 216.0885 41.90055 -42.52834      59.43514 
1 1 1 -12 26 21 o 520.1472 21.80148 65.45311       5.334351  65.45311       5.334351  0.000000       0.000000  520.1472 21.80148 ?        ?        0.000000       21.80148 
1 1 1 -12 26 22 o 140.9436 56.77066 4.450060       5.784211  4.450060       5.784211  0.000000       0.000000  140.9436 56.77066 ?        ?        0.000000       56.77066 
1 1 1 -12 28 1  o 769.9850 14.39402 139.9961       5.213552  143.5974       6.350465  132.5506       9.131063  779.1379 17.32694 745.9081 26.02356 33.22980       31.26417 
1 1 1 -12 28 2  o 272.7293 16.23270 17.64505       2.073117  16.29366       2.650572  19.77431       3.327085  261.1255 21.77713 287.2047 24.87206 -26.07916      33.05848 
1 1 1 -12 28 3  f 240.7062 18.44280 13.79749       2.072370  15.24579       2.394024  9.467896       4.139258  252.7785 20.30483 192.9389 46.21559 59.83957       50.47937 
1 1 1 -12 28 4  o 193.5774 34.26087 9.270912       3.005605  0.000000       0.000000  9.270912       3.005605  ?        ?        193.5774 34.26087 0.000000       34.26087 
1 1 1 -12 28 5  o 219.8362 21.50939 11.58206       2.195819  12.61147       2.441711  7.229489       5.020821  229.2031 22.95527 170.9675 54.98840 58.23555       59.58748 
1 1 1 -12 28 6  o 237.1059 20.18412 13.43220       2.229815  11.99394       2.431990  21.01962       5.585853  223.3110 23.50457 290.8356 42.05017 -67.52458      48.17345 
1 1 1 -12 28 7  o 83.88690 31.42199 1.285298       1.673957  1.175124       1.768810  2.230678       5.181391  83.80784 32.09067 131.9750 53.52950 -48.16714      62.41168 
1 1 1 -12 28 8  o 370.5127 13.65722 32.42836       2.380317  32.91308       2.554178  29.22711       6.563926  373.1628 14.55069 343.5376 41.45608 29.62518       43.93551 
1 1 1 -12 28 9  o 303.0367 13.35386 21.69292       1.903581  22.19971       1.999821  16.80440       6.211042  306.5036 13.87031 254.4170 53.59025 52.08662       55.35612 
1 1 1 -12 28 10 o 282.5626 14.00042 18.87388       1.860909  19.36615       1.961257  14.42925       5.893181  285.7887 14.63794 234.6727 54.43900 51.11604       56.37263 
1 1 1 -12 28 11 o 307.9692 14.19410 22.43106       2.056291  22.71474       2.174934  20.04162       6.312146  309.8207 14.92335 279.0998 49.91028 30.72098       52.09359 
1 1 1 -12 28 12 o 371.4442 13.87844 32.63459       2.424953  31.77831       2.584325  38.94174       7.013874  366.3661 14.99555 396.9692 38.02583 -30.60306      40.87579 
1 1 1 -12 28 13 o 407.3977 16.54055 39.37510       3.169843  43.82238       3.592627  23.74554       6.735010  429.5023 17.78187 303.5368 48.82439 125.9655       51.96167 
1 1 1 -12 28 14 o 159.0386 29.69912 6.310102       2.140143  6.324662       2.328062  6.230678       5.437318  158.5173 32.31704 160.4575 57.16243 -1.940155      65.66533 
1 1 1 -12 28 15 o 191.8562 30.94128 9.168278       2.697443  10.07034       3.048922  5.918550       5.786987  200.3646 33.53369 158.6758 58.62225 41.68875       67.53574 
1 1 1 -12 28 16 o 210.5627 39.32803 11.38578       3.752157  19.78300       5.433986  3.733651       5.187309  277.0800 43.09140 138.6035 54.43426 138.4765       69.42591 
1 1 1 -12 28 17 o 245.4722 37.08986 15.32807       4.149241  12.30083       5.733682  18.65636       6.012037  209.8886 56.72374 263.6770 50.30640 -53.78836      75.81766 
1 1 1 -12 28 18 o 334.1975 27.87315 27.46999       4.341883  24.91974       6.156255  29.99405       6.124568  308.8006 43.59318 342.6591 38.67309 -33.85852      58.27498 
1 1 1 -12 28 19 o 95.65610 42.41402 -0.5214472     3.795475  -4.997028      5.802351  2.825803       5.017916  98.91420 46.83768 128.2863 52.43211 -29.37207      70.30573 
1 1 1 -12 30 1  o 324.4415 18.77193 25.03158       2.852693  27.77708       3.490543  19.50951       4.950320  341.1834 21.86388 281.1240 38.44129 60.05945       44.22400 
1 1 1 -12 30 2  o 464.3896 13.10153 50.91795       2.862026  52.03993       3.941022  49.66595       4.163139  468.7054 17.87473 457.6124 19.33988 11.09305       26.33509 
1 1 1 -12 30 3  f 220.1176 20.37762 11.59940       2.086037  12.84627       2.513209  8.837694       3.740298  231.1160 23.44123 186.3454 43.46662 44.77058       49.38459 
1 1 1 -12 30 4  o 157.9418 23.64240 6.069857       1.702524  5.839507       2.064901  6.558924       3.008777  153.5207 29.66682 160.9291 39.93466 -7.408386      49.74834 
1 1 1 -12 30 5  o 123.3833 34.68440 3.789299       2.096925  2.255090       2.364069  9.450060       4.541038  104.2424 37.62927 191.2436 49.93726 -87.00123      62.52753 
1 1 1 -12 30 6  o 239.8882 25.49247 13.90259       2.832589  13.92195       3.435361  13.86148       5.006299  238.4641 31.38795 232.6050 47.36345 5.859085       56.81989 
1 1 1 -12 30 7  o 149.1281 25.55464 5.462302       1.728162  5.115044       1.852064  7.800238       4.805578  143.5688 28.42949 174.5044 53.48207 -30.93553      60.56871 
1 1 1 -12 30 8  o 146.0456 23.13371 5.209710       1.536327  6.318745       1.627739  -3.840666      4.649919  161.4044 22.01284 93.02264 43.37030 68.38175       48.63690 
1 1 1 -12 30 9  o 325.8141 15.48816 25.14218       2.373771  25.14218       2.373771  0.000000       0.000000  325.8141 15.48816 ?        ?        0.000000       15.48816 
1 1 1 -12 30 10 o 92.77400 39.34174 0.3222841      2.979462  4.051724       3.828640  -5.404281      4.744275  134.0892 47.94570 88.03173 41.87878 46.05752       63.66021 
1 1 1 -12 30 11 o 426.6316 21.58560 43.57600       4.317889  52.37812       6.199889  35.28538       6.017050  464.8981 28.48763 378.7302 34.14118 86.16797       44.46532 
1 1 1 -12 30 12 o 162.0631 51.11057 6.795482       4.353999  0.000000       0.000000  6.795482       4.353999  ?        ?        162.0631 51.11057 0.000000       51.11057 
1 1 1 -12 30 13 o 265.8192 29.84686 17.37937       3.667613  20.54400       5.482325  14.81570       4.934412  283.4326 42.42372 238.4049 45.66251 45.02768       62.32846 
1 1 1 -12 30 14 o 185.3931 40.11190 8.911922       3.396492  9.108205       5.014538  8.745542       4.616805  183.1670 54.30833 180.1239 51.74946 3.043091       75.01601 
1 1 1 -12 30 15 o 452.9791 34.30686 51.09988       7.255944  51.09988       7.255944  0.000000       0.000000  452.9791 34.30686 ?        ?        0.000000       34.30686 
1 1 1 -12 32 1  o 441.6839 32.04152 47.38407       6.611942  47.38407       6.611942  0.000000       0.000000  441.6839 32.04152 ?        ?        0.000000       32.04152 
1 1 1 -12 32 3  o 297.7146 28.92614 21.52200       3.999838  21.52200       3.999838  0.000000       0.000000  297.7146 28.92614 ?        ?        0.000000       28.92614 
1 1 1 -12 32 4  o 455.0331 18.46985 49.17937       3.953444  63.40667       5.487779  33.82878       5.700305  515.4167 22.63439 372.1603 32.89996 143.2564       39.93398 
1 1 1 -12 32 5  o 137.6869 38.29351 4.796654       2.570348  2.432224       3.126250  9.729489       4.515531  113.1196 42.81807 192.8735 49.51649 -79.75389      65.46198 
1 1 1 -12 32 6  o 134.9178 49.06073 4.004162       4.029289  0.000000       0.000000  4.004162       4.029289  ?        ?        134.9178 49.06073 0.000000       49.06073 
1 1 1 -12 32 7  o 190.5112 34.32335 9.102133       2.962812  15.77586       4.270306  2.907551       4.114155  251.0412 37.29479 125.8636 48.74399 125.1777       61.37489 
1 1 1 -12 32 9  o 240.1695 30.09693 14.20339       3.325569  15.19917       4.629906  13.14209       4.779804  243.8066 41.87878 224.1961 46.83276 19.61047       62.82627 
1 1 1 -12 32 10 o 364.8806 23.58413 32.10482       4.026335  40.01189       5.841099  24.94650       5.557663  404.0464 30.96793 315.0422 38.28910 89.00418       49.24498 
1 1 1 -11 1  1  o 376.9480 16.64035 33.46061       2.950619  33.46061       2.950619  0.000000       0.000000  376.9480 16.64035 ?        ?        0.000000       16.64035 
1 1 1 -11 1  2  o 711.1398 13.08114 119.0379       4.375926  126.8284       5.863617  109.2450       6.574138  733.8467 16.98599 680.8754 20.52588 52.97131       26.64274 
1 1 1 -11 1  3  f 767.9638 10.76741 138.7897       3.889746  139.3328       5.522738  138.2551       5.479382  769.2535 15.26215 766.2761 15.20117 2.977417       21.54086 
1 1 1 -11 1  4  o 947.4858 10.91157 211.2723       4.863282  213.5435       6.880608  209.0049       6.874834  952.2876 15.35994 942.1024 15.51296 10.18524       21.83071 
1 1 1 -11 1  5  o 319.6246 8.185493 24.03684       1.230706  24.96450       1.740502  23.10922       1.740461  325.6792 11.36096 313.3351 11.80826 12.34409       16.38617 
1 1 1 -11 1  6  o 625.7431 9.938650 92.14986       2.925451  94.53033       5.070923  90.96237       3.581556  633.4031 17.01914 621.6004 12.24873 11.80267       20.96861 
1 1 1 -11 1  7  o 683.3962 10.60110 109.9376       3.407946  106.8271       4.047892  117.5089       6.315412  673.5324 12.77618 705.8856 19.01945 -32.35315      22.91223 
1 1 1 -11 1  8  o 817.9743 10.04854 157.5168       3.866445  161.0701       5.576078  154.2262       5.365932  826.7469 14.33795 809.0174 14.09996 17.72949       20.10934 
1 1 1 -11 1  9  o 271.9434 10.49053 17.41478       1.341978  16.59252       1.876916  18.27476       1.919486  264.8452 15.12826 278.0279 14.72918 -13.18274      21.11428 
1 1 1 -11 1  10 o 354.9846 10.28835 29.67282       1.718005  28.75004       2.473582  30.53279       2.387933  349.1916 15.05890 359.9097 14.10455 -10.71805      20.63271 
1 1 1 -11 1  11 o 686.5575 12.05741 111.0124       3.894040  106.9386       4.819997  118.6683       6.607572  673.5773 15.21213 709.0352 19.81093 -35.45789      24.97763 
1 1 1 -11 1  12 o 502.6558 11.03696 59.47749       2.609694  60.69119       3.781851  58.37418       3.605772  507.5283 15.84072 497.7701 15.39927 9.758148       22.09221 
1 1 1 -11 1  13 o 1044.564 12.85895 256.8756       6.318439  267.1994       9.260169  247.8822       8.642971  1064.807 18.48752 1025.657 17.91397 39.15051       25.74293 
1 1 1 -11 1  14 o 731.5814 12.14629 125.9799       4.179992  127.9196       6.007898  124.1601       5.819409  736.8958 17.33194 726.0057 17.04000 10.89008       24.30551 
1 1 1 -11 1  15 o 1981.653 23.16135 926.2490       21.59040  995.2438       40.65334  899.1439       25.48087  2047.404 42.21078 1951.235 27.76101 96.16931       50.52151 
1 1 1 -11 1  16 o 1094.803 14.09106 282.2331       7.256860  278.9709       10.17631  285.6087       10.35143  1087.841 19.88638 1100.693 19.99239 -12.85254      28.19865 
1 1 1 -11 1  17 o 968.4568 13.86201 220.8716       6.315037  227.3963       9.203477  215.0665       8.681027  982.0073 19.92360 955.0861 19.32232 26.92120       27.75431 
1 1 1 -11 1  18 o 584.0023 16.37843 80.37624       4.499416  82.54364       5.793088  77.08086       7.143213  591.4639 20.82153 570.9823 26.59510 20.48157       33.77626 
1 1 1 -11 1  19 o 274.1193 26.78836 17.94843       3.410110  7.568372       5.637874  23.93691       4.282263  179.3184 58.32431 316.5659 29.08193 -137.2476      65.17272 
1 1 1 -11 1  20 o 944.3645 21.15555 210.7139       9.397955  0.000000       0.000000  210.7139       9.397955  ?        ?        944.3645 21.15555 0.000000       21.15555 
1 1 1 -11 1  21 f 787.3293 17.81651 146.3741       6.598548  150.5772       8.075653  137.9310       11.44572  797.8337 21.51771 760.9670 31.97482 36.86664       38.54089 
1 1 1 -11 1  22 o 301.7139 36.91870 22.17237       5.130439  0.000000       0.000000  22.17237       5.130439  ?        ?        301.7139 36.91870 0.000000       36.91870 
1 1 1 -11 1  23 o 319.8338 22.93378 24.43585       3.427494  28.04145       4.968101  21.16102       4.734732  340.5636 31.36395 294.4582 34.85900 46.10535       46.89187 
1 1 1 -11 1  24 o 383.1201 20.64858 34.99829       3.707559  38.23652       5.285277  31.86098       5.202268  398.1520 28.40590 362.4576 30.80359 35.69440       41.90175 
1 1 1 -11 1  25 o 335.3833 26.56371 27.20911       4.156539  22.74376       6.686335  30.02158       5.306462  296.3726 49.72112 350.0125 32.60453 -53.63995      59.45793 
1 1 1 -11 1  26 o 304.0077 25.01296 22.41280       3.545265  21.50499       5.107501  23.25690       4.925003  292.1071 38.07571 305.5006 34.89703 -13.39352      51.64845 
1 1 1 -11 1  27 o 149.0392 43.57077 5.855310       3.247392  1.036355       4.740201  10.11720       4.457809  116.0045 49.42173 192.9456 49.01790 -76.94114      69.60792 
1 1 1 -11 1  28 o 137.8869 51.12774 4.614272       4.409861  0.2951249      6.970189  7.497028       5.694420  129.0233 57.33034 165.0406 58.52990 -36.01730      81.92995 
1 1 1 -11 1  29 o 488.1290 19.82724 57.51383       4.552670  51.09728       6.403429  64.07269       6.474047  451.6005 30.31903 508.9386 27.14014 -57.33810      40.69190 
1 1 1 -11 1  30 o 70.83527 33.55668 -2.927786      2.984769  -3.787953      4.155580  -2.011147      4.289822  83.19743 39.46594 92.15804 42.51125 -8.960602      58.00661 
1 1 1 -11 1  31 o 211.4249 39.69148 12.18614       3.802532  9.331154       6.446692  13.70939       4.708911  170.4180 62.04338 218.5864 47.17930 -48.16832      77.94400 
1 1 1 -11 1  32 o 304.6370 25.66710 23.41176       3.643878  23.05027       5.217109  23.75607       5.091626  289.8413 39.27656 296.2184 37.37228 -6.377167      54.21564 
1 1 1 -11 1  33 o 184.0674 39.09454 9.655973       3.280492  6.666780       4.623215  12.68717       4.655588  144.0239 52.52478 201.2185 49.52098 -57.19456      72.18851 
1 1 1 -11 1  34 o 110.8798 46.86034 2.896633       4.204186  3.653389       6.036966  2.184007       5.858294  121.5341 53.70920 114.2617 51.52343 7.272423       74.42675 
1 1 1 -11 1  35 o 144.0704 48.86282 7.472264       3.948339  17.01546       6.102541  0.6010702      5.178213  203.7264 59.77748 100.0182 46.33627 103.7083       75.63331 
1 1 1 -11 1  36 o 206.3486 61.43063 19.75624       6.406380  19.75624       6.406380  0.000000       0.000000  206.3486 61.43063 ?        ?        0.000000       61.43063 
1 1 1 -11 3  1  o 974.9935 12.05674 223.7360       5.529693  212.2241       7.743508  235.7153       7.899148  949.2369 17.34179 1000.438 16.78497 -51.20135      24.13447 
1 1 1 -11 3  2  f 1510.984 15.53772 537.6000       11.04375  531.9158       12.77621  554.3996       21.96423  1502.669 18.07463 1531.900 30.48009 -29.23145      35.43626 
1 1 1 -11 3  3  o 416.5865 10.12370 40.83867       1.983873  42.78726       2.961429  39.25227       2.672071  426.2865 14.76830 408.3225 13.91155 17.96399       20.28876 
1 1 1 -11 3  4  o 782.5841 10.13313 144.1251       3.730302  141.5678       5.045700  147.2077       5.539729  775.4266 13.83284 790.6572 14.89467 -15.23065      20.32729 
1 1 1 -11 3  5  o 307.6340 8.850818 22.26944       1.280817  22.00856       1.677623  22.63400       1.983173  305.7745 11.66336 310.0440 13.59778 -4.269501      17.91462 
1 1 1 -11 3  6  o 70.38598 23.14558 1.116269       0.8869755 0.6310940      1.303688  1.534397       1.210261  69.16502 27.24893 82.37222 27.03415 -13.20719      38.38423 
1 1 1 -11 3  7  o 871.5635 11.86796 178.8775       4.865690  182.8142       5.983860  171.1950       8.359228  880.8494 14.44144 851.5807 20.86753 29.26874       25.37733 
1 1 1 -11 3  8  o 335.9660 9.037400 26.57008       1.428263  26.06890       2.006406  27.08494       2.033608  332.6417 12.82250 339.0653 12.75013 -6.423584      18.08265 
1 1 1 -11 3  9  o 500.6338 9.182248 59.00398       2.162412  61.42819       3.154556  56.85511       2.970007  510.5679 13.13456 491.2152 12.85335 19.35269       18.37730 
1 1 1 -11 3  10 o 161.3246 17.62490 6.212809       1.315748  8.214075       1.846125  4.146849       1.875727  185.2086 21.59548 129.5908 31.15424 55.61781       37.90714 
1 1 1 -11 3  11 o 557.0128 10.40510 73.03891       2.726345  76.05360       4.005810  70.43742       3.721174  568.1215 14.98925 546.7771 14.46773 21.34436       20.83249 
1 1 1 -11 3  12 f 828.8062 13.07029 161.7375       5.095742  172.8597       9.278258  156.9336       6.097702  855.8636 23.04584 816.1967 15.88189 39.66693       27.98830 
1 1 1 -11 3  13 o 1310.069 14.55867 404.1324       8.971917  417.9723       13.15205  392.0862       12.27022  1331.492 20.99837 1289.712 20.22507 41.77991       29.15450 
1 1 1 -11 3  14 o 566.8523 12.12662 75.63240       3.233546  76.82478       4.728806  74.58524       4.431509  571.0640 17.60344 562.7216 16.74128 8.342346       24.29303 
1 1 1 -11 3  15 o 796.1857 15.12834 149.2781       5.665978  153.6946       6.910558  140.2200       9.896832  807.6588 18.18929 770.5952 27.30239 37.06366       32.80656 
1 1 1 -11 3  16 o 1033.605 20.21370 251.8769       9.828109  255.3508       13.53994  248.0083       14.28833  1039.621 27.68678 1024.227 29.65623 15.39343       40.57154 
1 1 1 -11 3  17 o 364.5403 16.46362 31.31171       2.823192  34.24275       4.170844  28.83317       3.835407  380.1577 23.43763 348.7075 23.51937 31.45029       33.20366 
1 1 1 -11 3  18 o 1352.987 16.21353 431.4080       10.31907  447.4132       15.17615  417.6451       14.07296  1376.371 23.43995 1330.013 22.49367 46.35828       32.48687 
1 1 1 -11 3  19 o 588.2100 14.70420 81.53214       4.068582  82.50116       5.996340  80.70541       5.538571  591.0499 21.56715 584.7349 20.13582 6.315002       29.50582 
1 1 1 -11 3  20 o 234.1471 26.18951 13.14577       2.835191  11.52920       4.189501  14.51166       3.850986  215.7290 42.79521 244.5723 34.42582 -28.84335      54.92329 
1 1 1 -11 3  21 o 538.8884 18.63269 68.60838       4.723279  63.94174       8.358613  70.79755       5.724933  516.3201 34.61522 546.8987 22.25329 -30.57867      41.15121 
1 1 1 -11 3  22 f 128.5923 48.78534 3.001173       4.064181  0.000000       0.000000  3.001173       4.064181  ?        ?        128.5923 48.78534 0.000000       48.78534 
1 1 1 -11 3  23 o 239.4778 34.94354 14.09823       3.820492  14.95721       4.572093  12.11058       6.954929  244.8927 41.14830 215.3502 63.98301 29.54256       76.07239 
1 1 1 -11 3  24 o 227.8843 35.01306 12.86988       3.633229  13.16042       4.654488  12.41677       5.812718  227.0151 45.17505 216.8320 56.44019 10.18304       72.29302 
1 1 1 -11 3  25 o 441.9682 19.29865 46.50488       4.012242  43.45200       5.697659  49.50792       5.650964  423.1989 28.79203 452.8161 26.64710 -29.61719      39.23072 
1 1 1 -11 3  26 o 173.7150 43.56529 7.919807       3.553614  13.79608       6.300182  5.177927       4.303546  222.8097 59.12976 145.5150 50.94646 77.29469       78.05044 
1 1 1 -11 3  27 o 195.9342 37.47873 9.915128       3.328463  11.99289       4.918912  8.160245       4.520590  209.3428 50.52742 172.7776 51.64110 36.56522       72.24834 
1 1 1 -11 3  28 o 221.3597 32.81199 12.46041       3.313192  10.18596       4.775635  14.57100       4.600399  190.0580 51.93759 233.6144 43.46218 -43.55644      67.72352 
1 1 1 -11 3  29 o 293.6049 31.58534 21.82735       4.293705  28.28612       5.323462  9.803805       7.263322  332.3540 34.55577 179.6694 65.78812 152.6846       74.31136 
1 1 1 -11 3  30 o 196.5145 39.85386 10.43328       3.558092  10.71493       4.602398  10.01486       5.609566  192.2311 50.31149 180.9304 58.11573 11.30070       76.86797 
1 1 1 -11 3  31 o 164.0335 40.70844 7.484849       3.126307  4.192190       4.353563  10.99060       4.492229  129.2952 50.12289 193.2490 49.26767 -63.95384      70.28234 
1 1 1 -11 3  32 o 158.4902 47.16065 7.525820       3.776407  6.623068       6.602213  7.964799       4.603915  148.0856 60.28957 159.3670 52.74798 -11.28142      80.10732 
1 1 1 -11 3  33 o 98.52796 42.17411 1.361367       3.481328  3.974436       6.331435  0.2289969      4.167935  128.6120 55.96950 97.51003 43.75831 31.10198       71.04488 
1 1 1 -11 3  34 f 119.4166 48.15804 4.165542       4.167769  6.007730       5.718422  2.078181       6.087067  133.0681 55.33352 114.4193 51.96564 18.64877       75.90932 
1 1 1 -11 3  35 o 144.3432 56.14329 8.766351       5.476241  8.766351       5.476241  0.000000       0.000000  144.3432 56.14329 ?        ?        0.000000       56.14329 
1 1 1 -11 3  36 o 83.30302 40.24843 -2.321047      4.782837  -2.321047      4.782837  0.000000       0.000000  83.30302 40.24843 ?        ?        0.000000       40.24843 
1 1 1 -11 5  1  o 227.4574 14.49089 12.23152       1.542400  14.70200       2.825440  11.18278       1.840898  248.4244 24.49703 217.0986 18.19394 31.32579       30.51432 
1 1 1 -11 5  2  o 628.2854 14.80739 92.95739       4.376277  92.95739       4.376277  0.000000       0.000000  628.2854 14.80739 ?        ?        0.000000       14.80739 
1 1 1 -11 5  3  o 480.7214 9.310055 54.38147       2.105305  54.63224       2.651448  53.95363       3.463295  481.7564 11.70001 478.6126 15.38282 3.143799       19.32671 
1 1 1 -11 5  4  o 775.8488 14.29591 141.7672       5.217449  141.7672       5.217449  0.000000       0.000000  775.8488 14.29591 ?        ?        0.000000       14.29591 
1 1 1 -11 5  5  o 426.7842 9.186659 42.86829       1.844316  42.43042       2.371088  43.53902       2.934619  424.5073 11.87390 429.9029 14.51149 -5.395599      18.75028 
1 1 1 -11 5  6  o 591.6425 9.205838 82.39234       2.562076  85.88225       3.472390  78.22205       3.795819  603.8683 12.22410 576.1885 14.00463 27.67981       18.58920 
1 1 1 -11 5  7  o 537.0915 8.848586 67.90186       2.235586  68.47428       3.017440  67.20528       3.328608  539.1773 11.89701 534.0655 13.24948 5.111816       17.80695 
1 1 1 -11 5  8  o 430.9964 10.88929 43.74541       2.207712  42.57984       2.493193  47.97860       4.751372  425.1328 12.46700 450.4525 22.42336 -25.31973      25.65606 
1 1 1 -11 5  9  o 319.8297 13.23912 24.09983       1.991807  25.39954       2.339955  20.68074       3.795250  328.2544 15.15402 294.1524 27.75642 34.10193       31.62377 
1 1 1 -11 5  10 o 890.6265 12.55556 186.8045       5.260186  187.4260       6.680787  185.7907       8.532431  891.7589 15.92615 887.2684 20.44318 4.490479       25.91459 
1 1 1 -11 5  11 o 909.1125 11.50516 194.5530       4.920163  194.0771       6.961498  195.0280       6.954829  907.6174 16.30537 909.8434 16.24989 -2.226013      23.02008 
1 1 1 -11 5  12 o 1034.885 12.57552 252.1122       6.121917  253.6353       8.732229  250.6400       8.585043  1037.554 17.89143 1031.429 17.69432 6.125122       25.16331 
1 1 1 -11 5  13 o 801.1685 11.72742 151.0729       4.419729  157.4541       6.548124  145.7332       5.989983  817.6014 17.02574 786.6370 16.18758 30.96448       23.49284 
1 1 1 -11 5  14 o 1030.714 15.03436 250.1566       7.289406  254.2806       13.07103  248.2951       8.781798  1037.888 26.77258 1026.600 18.18498 11.28821       32.36456 
1 1 1 -11 5  15 o 1046.238 13.59125 257.7141       6.688971  259.9792       9.672183  255.6376       9.260509  1050.257 19.57760 1041.525 18.90149 8.732788       27.21302 
1 1 1 -11 5  16 o 1643.024 17.56654 636.1236       13.57686  623.7110       18.90229  649.3518       19.51346  1625.422 24.72173 1658.423 25.01323 -33.00110      35.16853 
1 1 1 -11 5  17 o 250.5231 24.47192 14.96209       2.847104  12.41194       3.883624  17.92509       4.186206  225.6198 37.93877 273.0523 33.28009 -47.43248      50.46696 
1 1 1 -11 5  18 o 165.7051 32.18164 6.730035       2.418073  -0.2201589     3.624241  12.30606       3.246242  99.79787 42.88265 225.7431 31.42220 -125.9452      53.16273 
1 1 1 -11 5  19 o 367.2157 18.20349 31.81380       3.144453  31.40675       4.742666  32.13309       4.200404  363.0467 27.98685 367.8081 24.41606 -4.761414      37.14038 
1 1 1 -11 5  20 o 521.0549 17.56539 64.07684       4.305371  72.85970       8.029262  60.53251       5.100640  552.7722 31.00391 506.0150 21.42851 46.75717       37.68851 
1 1 1 -11 5  21 o 398.6579 18.29391 37.55338       3.430647  36.30995       5.178149  38.52616       4.580054  389.7289 28.44144 402.3618 24.31248 -12.63290      37.41673 
1 1 1 -11 5  22 o 279.6755 23.35249 18.69963       3.044150  14.95556       4.389300  22.16951       4.225525  246.0379 39.24336 303.1970 30.02147 -57.15916      49.40981 
1 1 1 -11 5  23 o 495.0106 17.35016 58.02070       4.040055  54.48374       5.715439  61.55287       5.711565  477.1710 25.55560 508.3358 23.88554 -31.16486      34.98011 
1 1 1 -11 5  24 o 643.4538 16.66529 98.13574       5.044285  96.53909       7.186391  99.68640       7.082145  635.5627 24.03716 646.1494 23.30036 -10.58661      33.47673 
1 1 1 -11 5  25 o 382.6113 20.49058 35.02539       3.674527  39.45322       5.286418  30.88630       5.111146  403.2325 28.04449 355.3709 30.88209 47.86163       41.71567 
1 1 1 -11 5  26 o 293.7993 25.91383 21.02543       3.544701  26.76613       5.111122  15.70548       4.920253  328.1416 33.58528 245.5361 44.22596 82.60548       55.53293 
1 1 1 -11 5  27 o 184.3475 38.26985 8.851987       3.210051  9.538390       4.709342  8.256290       4.387158  185.6676 51.90283 173.5651 50.61506 12.10255       72.49681 
1 1 1 -11 5  28 o 199.4922 35.91134 10.31964       3.246046  9.722507       4.661592  10.88173       4.522759  185.6135 51.55108 197.9016 48.87294 -12.28812      71.03575 
1 1 1 -11 5  29 o 167.1230 39.17509 7.495284       3.026145  13.36263       4.439110  2.401451       4.136161  221.4144 44.16920 117.1413 47.70863 104.2731       65.01563 
1 1 1 -11 5  30 o 285.5732 26.74077 20.37751       3.550375  22.26859       4.968533  18.40440       5.075142  291.1055 37.12893 259.8401 43.02713 31.26538       56.83213 
1 1 1 -11 5  31 f 196.1100 37.85330 10.42323       3.365508  12.59416       4.717189  8.172536       4.803066  207.0890 49.15918 163.6329 53.86316 43.45612       72.92369 
1 1 1 -11 5  32 o 161.4031 46.52933 7.800995       3.726636  21.00773       7.073715  2.727286       4.384425  251.1795 60.57171 116.1057 48.38005 135.0738       77.52136 
1 1 1 -11 5  33 o 110.8427 44.02980 3.040890       3.429956  10.57075       5.952734  -0.7015771     4.196642  169.4478 59.86949 92.81455 42.53104 76.63329       73.43871 
1 1 1 -11 5  34 o 75.38163 35.38031 -1.743591      3.181234  0.7931035E-01  5.481051  -2.669629      3.906579  102.8199 47.64758 79.55771 37.89062 23.26221       60.87685 
1 1 1 -11 5  35 o 96.97315 44.82695 0.5466707      4.807335  0.5466707      4.807335  0.000000       0.000000  96.97315 44.82695 ?        ?        0.000000       44.82695 
1 1 1 -11 7  1  o 525.6357 10.26915 65.03745       2.539152  62.57556       3.965829  66.74774       3.305496  515.2681 16.36181 532.3607 13.19962 -17.09265      21.02234 
1 1 1 -11 7  2  o 361.0707 13.94721 30.71171       2.368912  31.62902       4.599355  30.38050       2.763680  364.6577 27.00478 359.0127 16.36472 5.645020       31.57629 
1 1 1 -11 7  3  o 173.9873 15.00160 7.186532       1.215790  5.311440       1.617823  9.619501       1.842842  148.0299 24.05959 200.9360 19.75195 -52.90616      31.12882 
1 1 1 -11 7  4  o 660.1760 9.746358 102.5991       3.026714  99.49060       3.523233  111.3555       5.913244  649.9835 11.52311 687.0028 18.29776 -37.01929      21.62383 
1 1 1 -11 7  5  o 551.3257 12.16296 71.59602       3.154400  74.61356       5.162038  69.79772       3.984984  562.1792 19.51988 544.1047 15.56951 18.07446       24.96868 
1 1 1 -11 7  6  o 344.9518 10.13459 28.01582       1.644499  29.24110       2.033213  25.69793       2.796487  352.3299 12.26773 329.5086 18.11118 22.82129       21.87491 
1 1 1 -11 7  7  o 829.8554 10.64261 162.1459       4.154512  161.0118       5.455983  163.7109       6.409186  826.6240 14.03123 833.2485 16.35155 -6.624573      21.54643 
1 1 1 -11 7  8  o 452.9846 10.95779 48.31019       2.334939  49.71236       2.680990  43.90607       4.751440  459.4469 12.40482 430.4333 23.55595 29.01361       26.62259 
1 1 1 -11 7  9  o 345.0815 10.66765 28.02990       1.731648  31.01058       2.291740  24.06362       2.643622  362.8834 13.42545 319.0310 17.68479 43.85236       22.20348 
1 1 1 -11 7  10 o 123.8678 20.07040 3.709207       1.129442  3.021367       1.752371  4.197985       1.477195  111.6724 31.81772 131.2252 24.84011 -19.55274      40.36581 
1 1 1 -11 7  11 o 345.8965 11.04681 28.15767       1.797432  26.81340       2.696218  29.23299       2.411458  336.9655 17.06550 352.3605 14.54867 -15.39502      22.42532 
1 1 1 -11 7  12 o 549.5067 10.84916 71.06075       2.804389  75.97332       4.274594  67.34850       3.715855  567.9957 15.99854 534.8324 14.76970 33.16333       21.77378 
1 1 1 -11 7  13 o 1004.098 17.67374 237.4916       8.347838  0.000000       0.000000  237.4916       8.347838  ?        ?        1004.098 17.67374 0.000000       17.67374 
1 1 1 -11 7  14 o 230.1591 17.78375 12.55413       1.910463  13.57005       3.167365  11.97316       2.395228  237.9577 28.88864 224.1412 23.04552 13.81657       36.95469 
1 1 1 -11 7  15 o 1459.089 16.06602 501.4734       11.02705  503.5556       15.78095  499.4867       15.41471  1460.984 22.96246 1455.154 22.51941 5.830566       32.16206 
1 1 1 -11 7  16 o 548.3372 13.29492 70.79951       3.429279  82.36647       5.597346  63.84883       4.338963  591.0004 20.13377 520.4953 17.72147 70.50507       26.82199 
1 1 1 -11 7  17 o 1275.227 18.26882 383.4239       10.95891  385.1752       13.23670  379.6076       19.53990  1277.427 22.02796 1265.417 32.82608 12.00928       39.53205 
1 1 1 -11 7  18 o 1346.972 16.05383 427.6707       10.17201  441.7372       14.96389  415.5871       13.86918  1367.297 23.26551 1326.474 22.22709 40.82239       32.17651 
1 1 1 -11 7  19 o 564.3502 14.51052 75.06896       3.852130  78.97950       5.871691  72.11405       5.104076  578.1177 21.59124 552.6440 19.63371 25.47363       29.18329 
1 1 1 -11 7  20 f 400.2550 19.29314 37.85389       3.632529  34.54221       7.004355  39.07228       4.248518  377.5026 40.05578 405.7237 22.34681 -28.22113      45.86770 
1 1 1 -11 7  21 o 648.9254 15.10823 99.39714       4.611876  95.71078       6.645328  102.8224       6.405630  635.4649 22.23082 658.9936 20.66386 -23.52869      30.35135 
1 1 1 -11 7  22 o 743.8541 15.00163 130.7168       5.249229  128.6181       7.669500  132.5663       7.199804  735.9477 22.15393 747.6802 20.47083 -11.73254      30.16375 
1 1 1 -11 7  23 o 157.9255 41.48299 6.333521       3.121516  5.327856       4.358089  7.392985       4.473140  150.0803 51.33356 170.4414 51.46606 -20.36105      72.69037 
1 1 1 -11 7  24 o 324.3876 28.35709 25.52938       4.283599  31.43523       5.123311  11.81035       7.808561  359.3372 30.60100 209.3604 68.66663 149.9769       75.17664 
1 1 1 -11 7  25 o 487.0193 17.95968 56.45381       4.114473  45.53916       5.777831  67.68317       5.860538  432.6763 28.54828 531.0499 23.46026 -98.37354      36.95116 
1 1 1 -11 7  26 o 122.5287 44.28407 3.420916       3.275634  -3.463139      5.647266  6.911367       4.021211  104.1808 48.30872 161.2001 48.82424 -57.01931      68.68434 
1 1 1 -11 7  27 o 326.2609 25.91282 26.07789       3.944192  20.01189       6.714596  29.27360       4.873629  267.4727 55.19753 343.2117 30.50508 -75.73904      63.06605 
1 1 1 -11 7  28 o 266.8932 27.03572 17.65735       3.347425  19.58456       4.692469  15.66042       4.776599  275.2753 37.19012 241.7598 43.60586 33.51549       57.31122 
1 1 1 -11 7  29 o 104.0947 41.63334 1.903040       3.086970  4.637189       4.199053  -1.312542      4.553759  135.3544 49.94980 98.92423 44.93533 36.43021       67.18755 
1 1 1 -11 7  30 o 130.5723 48.53435 4.359207       3.978649  7.989252       4.606951  -6.293104      7.891862  164.6666 52.64304 110.2271 52.86290 54.43951       74.60413 
1 1 1 -11 7  31 o 346.5226 24.06584 29.85784       3.898525  29.70606       5.556403  30.00500       5.471278  335.0282 35.81155 337.5811 34.96088 -2.552917      50.04728 
1 1 1 -11 7  32 o 146.2047 46.13720 6.396641       3.547467  18.72176       6.465828  1.088873       4.243113  238.3534 58.17782 104.3653 45.60820 133.9882       73.92406 
1 1 1 -11 7  33 o 84.32426 39.88202 -2.552001      4.183551  0.000000       0.000000  -2.552001      4.183551  ?        ?        84.32426 39.88202 0.000000       39.88202 
1 1 1 -11 7  34 o 148.8754 48.78533 7.610843       3.941792  11.05232       5.225697  3.067777       6.004077  169.9038 56.19531 116.5817 52.40298 53.32204       76.83739 
1 1 1 -11 7  35 o 126.6356 47.53068 5.798641       3.834015  9.892985       5.288772  1.263674       5.566083  151.0497 55.99480 102.5511 47.69162 48.49864       73.55209 
1 1 1 -11 9  1  o 227.2453 13.04238 12.20443       1.388348  17.93723       2.632758  9.996153       1.634011  274.8820 20.50847 205.1820 17.08488 69.70004       26.69252 
1 1 1 -11 9  2  o 600.5646 9.644776 84.90240       2.724716  84.21702       3.881897  85.56797       3.825385  597.8753 13.80270 602.6743 13.49345 -4.799011      19.30254 
1 1 1 -11 9  3  o 483.0845 9.301297 54.93039       2.113664  55.22651       2.939915  54.61356       3.040992  484.2162 12.90702 481.4930 13.42629 2.723267       18.62408 
1 1 1 -11 9  4  o 388.9345 10.25165 35.61024       1.875598  36.13980       2.255527  34.42331       3.376775  391.7424 12.23991 382.0010 18.79180 9.741364       22.42648 
1 1 1 -11 9  5  o 305.4849 11.23795 21.97067       1.614901  22.06773       1.869624  21.68550       3.204756  306.1089 12.98401 302.1978 22.71025 3.911102       26.15989 
1 1 1 -11 9  6  o 279.0765 11.69382 18.33574       1.535144  18.28914       1.818680  18.45122       2.863065  278.6678 13.87395 278.7576 22.01322 -0.8975220E-01 26.02054 
1 1 1 -11 9  7  o 606.4268 10.17491 86.54939       2.902541  90.28291       3.684589  80.44353       4.711973  619.2645 12.64863 584.3134 17.14303 34.95105       21.30426 
1 1 1 -11 9  8  o 691.1784 11.69060 112.4420       3.800986  111.2097       4.375683  116.2307       7.672456  687.2974 13.53418 701.9908 23.23452 -14.69348      26.88897 
1 1 1 -11 9  9  o 663.3522 18.02259 103.6564       5.623812  103.6564       5.623812  0.000000       0.000000  663.3522 18.02259 ?        ?        0.000000       18.02259 
1 1 1 -11 9  10 o 318.3012 11.47014 23.84368       1.717419  25.35546       2.376682  22.19163       2.484499  328.1589 15.39634 306.4735 17.30438 21.68546       23.16223 
1 1 1 -11 9  11 o 906.0958 11.64918 193.2203       4.965223  191.9408       6.967501  194.5404       7.077564  902.8201 16.40614 908.9033 16.55377 -6.083252      23.30641 
1 1 1 -11 9  12 o 646.2528 10.89143 98.28452       3.310980  99.99589       4.827483  96.76442       4.549718  651.6580 15.74823 641.0725 15.08718 10.58551       21.80894 
1 1 1 -11 9  13 o 127.9429 26.04052 4.003395       1.513942  2.180082       2.723891  4.818415       1.821140  108.6818 40.20568 140.3193 28.56150 -31.63750      49.31791 
1 1 1 -11 9  14 o 644.8178 12.02550 97.87336       3.647620  100.1248       5.628208  96.24284       4.789679  651.8419 18.35518 639.2292 15.92870 12.61273       24.30301 
1 1 1 -11 9  15 o 533.3546 12.65448 66.97383       3.174896  67.61997       4.948863  66.52188       4.138889  535.5445 19.64448 531.3631 16.55858 4.181396       25.69226 
1 1 1 -11 9  16 o 831.3539 14.30104 162.7938       5.592717  172.7999       7.777730  152.0809       8.047773  856.0137 19.31536 802.8278 21.31003 53.18585       28.76110 
1 1 1 -11 9  17 o 789.9306 17.69442 147.1370       6.574980  0.000000       0.000000  147.1370       6.574980  ?        ?        789.9306 17.69442 0.000000       17.69442 
1 1 1 -11 9  18 o 956.6241 17.27048 215.8533       7.771683  214.1569       9.195350  220.0951       14.54039  952.2991 20.52700 962.6211 32.11083 -10.32202      38.11119 
1 1 1 -11 9  19 o 122.3845 37.04118 3.604981       2.315099  4.168653       4.117819  3.344469       2.799424  140.1762 49.76574 121.9826 41.14503 18.19365       64.57199 
1 1 1 -11 9  20 o 563.5341 14.86688 74.93089       3.941028  72.63296       5.913159  76.76743       5.286287  553.6559 22.70442 569.7109 19.72545 -16.05505      30.07630 
1 1 1 -11 9  21 o 662.6378 16.76295 103.7977       5.225117  98.42450       9.581588  106.0719       6.233572  641.0813 31.77277 669.1906 19.80240 -28.10925      37.43854 
1 1 1 -11 9  22 o 352.4270 20.93767 29.60079       3.455502  30.06958       4.986404  29.16766       4.792968  352.7126 30.34919 347.5734 29.59677 5.139282       42.39154 
1 1 1 -11 9  23 o 172.3201 34.97704 7.457812       2.738374  13.76377       4.572539  3.931456       3.419362  232.7357 43.36165 130.8426 45.43459 101.8931       62.80553 
1 1 1 -11 9  24 o 518.6709 16.85972 63.87538       4.113500  61.85100       6.141389  65.52254       5.539753  506.5547 25.85950 523.3939 22.50051 -16.83917      34.27808 
1 1 1 -11 9  25 o 211.6413 30.65221 11.13254       2.962785  11.53280       4.654149  10.85981       3.841773  208.1370 48.44401 204.8286 41.29815 3.308319       63.65815 
1 1 1 -11 9  26 o 84.49969 36.96927 -0.2791283     2.795042  3.869079       4.365856  -3.160139      3.638409  133.0933 50.54657 80.76450 37.88452 52.32879       63.16797 
1 1 1 -11 9  27 o 75.51205 34.64693 -1.615975      2.797277  -2.676204      4.136281  -0.7223967     3.797314  88.99363 41.29382 94.60559 42.15910 -5.611961      59.01330 
1 1 1 -11 9  28 o 84.02907 37.67139 -0.8383943     3.080957  0.1386078      4.032761  -2.208086      4.774920  101.7207 44.45765 97.89126 45.04475 3.829475       63.28911 
1 1 1 -11 9  29 o 405.0563 20.48636 39.82559       3.890774  42.90042       5.664623  37.07941       5.353335  413.8749 29.28503 384.1940 29.85581 29.68085       41.82084 
1 1 1 -11 9  30 o 127.4380 43.84076 4.331416       3.180080  1.900962       4.572905  6.607553       4.425350  115.2122 48.79157 151.2815 51.72826 -36.06937      71.10858 
1 1 1 -11 9  31 o 118.4571 49.06730 2.813332       4.471703  -0.5805589E-02 5.854930  6.759810       6.927370  112.7721 51.11930 151.1524 61.67193 -38.38031      80.10374 
1 1 1 -11 9  32 o 119.0584 45.03340 3.808369       3.456521  0.5570750      6.018021  5.408967       4.222469  113.3222 51.54543 134.6987 50.01298 -21.37656      71.82082 
1 1 1 -11 9  33 o 122.5356 44.50203 4.482077       3.313774  9.479787       5.313714  1.301430       4.239068  161.0921 56.59903 102.3120 45.12086 58.78011       72.38330 
1 1 1 -11 9  34 o 250.8743 40.02336 18.89379       4.564499  15.16944       5.922356  24.34305       7.163709  194.4697 59.33075 249.1198 61.50073 -54.65004      85.45454 
1 1 1 -11 11 1  o 974.1210 11.66516 223.3438       5.345307  235.2732       8.130105  214.2608       7.094161  999.3726 17.29416 953.8239 15.81115 45.54877       23.43247 
1 1 1 -11 11 2  o 455.6342 9.957233 48.85321       2.134147  47.08173       2.959236  50.77312       3.080708  447.1836 14.06774 464.3822 14.10281 -17.19855      19.91960 
1 1 1 -11 11 3  o 1187.723 12.86514 332.0657       7.187850  318.8993       9.760055  347.6699       10.62528  1163.501 17.83267 1214.769 18.59420 -51.26831      25.76331 
1 1 1 -11 11 4  f 488.0970 13.80537 56.08434       3.169739  53.05774       4.349442  59.51249       4.628980  474.5331 19.48488 502.5652 19.58049 -28.03207      27.62347 
1 1 1 -11 11 5  o 969.9041 11.79760 221.3957       5.382596  223.8358       6.270849  214.5660       10.49114  975.1296 13.67082 953.9523 23.37905 21.17737       27.08268 
1 1 1 -11 11 6  o 780.2264 10.64069 143.2487       3.905346  139.0298       4.305901  162.8121       9.272311  768.6042 11.90946 831.0022 23.72010 -62.39801      26.54201 
1 1 1 -11 11 7  f 732.9158 11.09492 126.4065       3.825142  129.0919       4.786761  121.6620       6.362653  740.5588 13.74083 718.6850 18.82046 21.87384       23.30279 
1 1 1 -11 11 8  o 1304.100 16.35107 400.4416       10.03059  393.7288       11.51742  421.5220       20.41018  1292.881 18.93771 1335.824 32.48091 -42.94336      37.59849 
1 1 1 -11 11 9  o 2111.032 23.66597 1050.615       23.50111  1069.711       28.98473  1013.972       40.15158  2128.899 28.94310 2068.973 41.25518 59.92529       50.39536 
1 1 1 -11 11 10 o 1071.094 12.64686 270.0210       6.372061  277.7040       8.972436  262.2028       9.050988  1085.875 17.56554 1055.078 18.23653 30.79663       25.32033 
1 1 1 -11 11 11 o 718.9224 11.10157 121.6337       3.754357  114.6220       4.914817  131.4576       5.817535  697.7288 14.97447 747.1277 16.55293 -49.39886      22.32116 
1 1 1 -11 11 12 o 289.6772 14.30862 19.75694       1.949761  19.38764       3.512896  19.92135       2.343939  285.3878 26.46861 290.3019 17.24173 -4.914032      31.58899 
1 1 1 -11 11 13 o 889.6027 12.20137 186.2912       5.105919  181.4886       7.142616  191.3102       7.301732  877.6926 17.29998 901.1351 17.22529 -23.44257      24.41311 
1 1 1 -11 11 14 o 528.6187 13.56355 65.79916       3.372759  72.56243       7.194565  63.89417       3.818326  554.1290 27.60097 520.8150 15.58548 33.31396       31.69733 
1 1 1 -11 11 15 o 884.8761 14.28450 184.4269       5.945889  185.0435       8.034062  183.6802       8.841294  885.8350 19.28027 882.3129 21.30217 3.522095       28.73171 
1 1 1 -11 11 16 o 1424.979 32.17768 481.5696       21.56912  481.5696       21.56912  0.000000       0.000000  1424.979 32.17768 ?        ?        0.000000       32.17768 
1 1 1 -11 11 17 o 587.2328 14.23041 81.26248       3.930946  79.96921       5.631861  82.49109       5.489275  581.9359 20.57347 591.1339 19.74057 -9.198059      28.51241 
1 1 1 -11 11 18 o 307.7144 24.94810 22.57234       3.580140  20.14603       4.065909  30.94530       7.553083  289.6339 30.29088 355.6755 46.23761 -66.04160      55.27617 
1 1 1 -11 11 19 o 666.3115 13.65108 104.6957       4.278718  104.2037       6.631172  105.0466       5.600581  663.5142 21.24569 666.8091 17.85510 -3.294922      27.75219 
1 1 1 -11 11 20 o 98.17269 35.86300 1.899178       2.156598  4.975873       3.854839  0.4975089      2.601877  145.4702 48.27212 89.65701 37.30675 55.81316       61.00812 
1 1 1 -11 11 21 o 434.4146 16.33695 44.63765       3.338449  38.84665       5.161771  48.80201       4.377202  402.3111 27.43892 453.4897 20.51918 -51.17859      34.26268 
1 1 1 -11 11 22 o 160.1435 37.43740 6.486112       2.769688  8.341261       6.057140  5.995683       3.114342  181.9156 60.51687 153.6557 41.92220 28.25986       73.61903 
1 1 1 -11 11 23 o 536.5682 15.91133 68.24942       4.016065  74.35749       6.416350  64.31521       5.149499  557.0923 24.48452 519.3427 21.07860 37.74963       32.30788 
1 1 1 -11 11 24 o 89.41423 36.91177 0.7489129      2.518230  -4.661626      4.207480  3.768859       3.143413  83.22070 39.54549 126.2710 43.57881 -43.05031      58.84690 
1 1 1 -11 11 25 o 85.19887 40.14313 -3.876364      4.165586  -4.188467      5.562991  -3.478003      6.284902  100.6593 47.09776 110.6814 51.19580 -10.02209      69.56442 
1 1 1 -11 11 26 o 335.0368 21.41676 27.12293       3.357671  22.02715       4.948860  31.46950       4.570593  294.3612 36.52486 358.0681 27.34217 -63.70688      45.62521 
1 1 1 -11 11 27 o 215.7426 30.54773 11.72032       3.013520  9.277585       4.485004  13.73078       4.068847  182.3348 50.53845 229.3470 39.11790 -47.01221      63.90888 
1 1 1 -11 11 28 o 158.7295 43.40789 6.874276       3.334418  2.545185       6.026822  8.783968       4.002872  131.9272 55.94987 177.6622 47.12410 -45.73499      73.15100 
1 1 1 -11 11 29 o 83.22193 36.82633 -0.3538394     2.847287  -1.636255      4.267039  0.6754677      3.822827  93.77358 42.93953 101.7124 43.87524 -7.938782      61.39088 
1 1 1 -11 11 30 o 100.3839 44.73023 -0.1026840     4.273612  0.7660523      5.913240  -1.052616      6.183406  118.1811 52.64146 112.4692 51.57008 5.711922       73.69258 
1 1 1 -11 11 31 o 140.7649 46.32223 5.803069       3.552428  -1.635256      6.360872  9.174712       4.282525  109.1855 50.84561 173.0610 49.87587 -63.87551      71.22414 
1 1 1 -11 11 32 o 112.0738 43.56253 3.208417       3.295250  7.339478       5.880353  1.317268       3.978647  147.2934 57.92163 102.2104 44.42369 45.08303       72.99575 
1 1 1 -11 11 33 o 154.0834 49.34285 8.009795       4.046136  5.145660       5.134585  12.70214       6.572091  127.6190 52.69719 174.1428 62.75892 -46.52374      81.94923 
1 1 1 -11 11 34 o 112.6559 50.64099 3.183710       5.607966  0.000000       0.000000  3.183710       5.607966  ?        ?        112.6559 50.64099 0.000000       50.64099 
1 1 1 -11 13 1  o 1069.478 12.30188 269.1661       6.188887  268.9774       8.852137  269.3465       8.655974  1068.797 17.60693 1069.557 17.20452 -0.7600098     24.61706 
1 1 1 -11 13 2  o 473.2091 10.15040 52.68754       2.259464  52.39563       3.114609  53.01182       3.282746  471.8159 14.03336 474.5656 14.70523 -2.749664      20.32680 
1 1 1 -11 13 3  o 981.3317 11.69214 226.6150       5.397330  237.6819       7.888593  216.8747       7.400701  1004.747 16.69066 959.7781 16.39203 44.96881       23.39395 
1 1 1 -11 13 4  o 386.4464 11.33343 35.14184       2.060250  36.40797       2.392582  31.51011       4.052124  393.3184 12.93163 364.8719 23.73791 28.44647       27.03175 
1 1 1 -11 13 5  o 1219.748 13.65944 350.1737       7.837401  341.8407       8.779294  382.8776       17.39237  1205.027 15.48794 1273.868 29.02452 -68.84106      32.89832 
1 1 1 -11 13 6  o 683.4615 10.83044 109.9167       3.482006  109.8212       3.941869  110.2557       7.428514  683.1210 12.26691 683.9673 23.08858 -0.8463745     26.14498 
1 1 1 -11 13 7  o 641.3722 10.48593 96.79460       3.163635  93.97537       3.423359  113.2878       8.280167  631.9341 11.51626 693.1232 25.39565 -61.18903      27.88482 
1 1 1 -11 13 8  f 592.5389 13.02180 82.63896       3.629586  82.63896       3.629586  0.000000       0.000000  592.5389 13.02180 ?        ?        0.000000       13.02180 
1 1 1 -11 13 9  o 688.7508 12.31318 111.6504       3.989347  112.2935       4.549957  109.5125       8.295972  690.6622 14.00465 681.3290 25.88458 9.333252       29.43028 
1 1 1 -11 13 10 o 1260.947 16.31134 374.4487       9.675105  379.4485       11.54641  362.6635       17.72728  1269.005 19.34257 1238.971 30.41666 30.03442       36.04592 
1 1 1 -11 13 11 o 1120.989 13.50573 295.8409       7.121780  285.9955       9.484847  308.5656       10.78301  1101.737 18.30135 1144.185 20.03431 -42.44849      27.13509 
1 1 1 -11 13 12 o 699.8163 11.57705 115.2771       3.811107  116.7782       5.327715  113.7040       5.453940  704.1050 16.08549 694.7360 16.68865 9.369019       23.17874 
1 1 1 -11 13 13 o 593.4304 11.62774 82.90003       3.245896  80.33249       4.610460  85.42336       4.570579  583.8948 16.78573 602.1531 16.13597 -18.25836      23.28369 
1 1 1 -11 13 14 f 295.7123 14.45015 20.59839       2.010070  25.52093       3.528505  18.23347       2.445708  327.9789 23.01627 277.4367 18.85193 50.54218       29.75136 
1 1 1 -11 13 15 o 366.1695 15.25092 31.59665       2.626925  33.97741       5.876842  31.00218       2.936634  376.8840 33.49794 362.6127 17.21621 14.27127       37.66311 
1 1 1 -11 13 16 o 930.2708 13.27994 203.8941       5.811321  195.3170       8.265302  212.2794       8.172385  909.6229 19.31648 948.4725 18.31702 -38.84967      26.62029 
1 1 1 -11 13 17 o 470.3623 13.18907 52.14212       2.918206  57.08141       5.019606  49.62046       3.586582  491.2816 21.72050 458.5730 16.62658 32.70868       27.35367 
1 1 1 -11 13 18 o 229.9404 21.05367 12.61704       2.251978  16.29310       5.248405  11.78752       2.493147  256.0086 45.23606 221.6406 24.31188 34.36798       51.35532 
1 1 1 -11 13 19 o 453.8601 20.76713 48.81043       4.433714  46.14349       5.077513  57.37218       9.097574  439.9584 24.63309 485.6296 40.18565 -45.67117      47.13465 
1 1 1 -11 13 20 o 242.2211 21.51005 14.03911       2.425381  11.14534       4.309224  15.38084       2.934275  209.6081 45.04568 252.8961 24.99249 -43.28795      51.51445 
1 1 1 -11 13 21 o 255.9752 21.89973 15.70574       2.611589  15.36788       4.428788  15.88585       3.233632  248.2036 39.23638 256.1533 27.25487 -7.949722      47.77365 
1 1 1 -11 13 22 o 127.9673 37.81744 4.092096       2.434710  -5.148633      6.391313  5.660699       2.633259  108.0365 50.52822 149.1976 37.54879 -41.16109      62.95246 
1 1 1 -11 13 23 o 625.9152 16.63838 93.05117       4.898869  117.0333       10.56424  86.48135       5.529317  692.5790 32.42648 602.3132 19.51550 90.26575       37.84615 
1 1 1 -11 13 24 o 245.9957 29.44601 14.93115       3.339681  13.32343       6.260140  15.57075       3.948498  218.4477 59.36873 249.1377 34.62805 -30.69000      68.72953 
1 1 1 -11 13 25 f 594.8509 21.31384 85.02864       5.964021  81.47977       6.930779  95.15459       11.70725  579.7170 25.41538 611.0164 40.96892 -31.29938      48.21197 
1 1 1 -11 13 26 o 324.1057 28.02762 25.90277       4.231038  23.93397       4.853608  32.13437       8.635023  308.1230 34.05591 340.0951 55.91917 -31.97202      65.47334 
1 1 1 -11 13 27 o 145.0628 40.89186 5.613588       2.910469  3.592609       4.318917  7.294888       3.939278  128.7552 49.92041 162.7565 48.10493 -34.00127      69.32627 
1 1 1 -11 13 28 o 94.30544 38.79260 1.159839       2.768940  -4.421747      4.188115  5.494184       3.690639  81.76781 39.02284 142.4599 47.23089 -60.69206      61.26613 
1 1 1 -11 13 29 o 254.4531 30.41868 16.50899       3.568796  9.351963       6.978166  19.04397       4.153004  172.6615 64.25720 271.5634 33.20185 -98.90184      72.32808 
1 1 1 -11 13 30 f 281.3081 28.73331 20.18629       3.748846  16.41796       6.593503  21.98638       4.557106  223.7409 60.97971 289.2149 34.15570 -65.47408      69.89375 
1 1 1 -11 13 31 o 120.2813 44.20431 3.938604       3.283506  9.239003       6.004051  1.676946       3.921963  163.5755 59.82621 105.3542 44.92102 58.22132       74.81359 
1 1 1 -11 13 32 o 129.4799 52.87499 5.014863       5.097606  5.014863       5.097606  0.000000       0.000000  129.4799 52.87499 ?        ?        0.000000       52.87499 
1 1 1 -11 13 33 o 99.95039 42.95852 1.919563       3.638639  1.831451       4.982960  2.020214       5.325753  106.7350 47.87557 109.1957 49.19291 -2.460663      68.64410 
1 1 1 -11 15 1  o 1780.340 17.72964 746.3701       14.84815  758.8675       21.50965  734.9940       20.52204  1794.063 25.48744 1765.746 24.70716 28.31702       35.49723 
1 1 1 -11 15 2  o 286.5301 20.06664 19.43383       2.687598  0.000000       0.000000  19.43383       2.687598  ?        ?        286.5301 20.06664 0.000000       20.06664 
1 1 1 -11 15 3  o 1058.762 14.86140 263.8810       7.401630  287.6041       14.25563  255.1256       8.660440  1104.191 27.44562 1040.864 17.68792 63.32678       32.65157 
1 1 1 -11 15 4  o 1717.435 17.61490 694.6060       14.23082  688.2568       16.33231  714.6255       29.00112  1709.219 20.31331 1738.724 35.45804 -29.50586      40.86445 
1 1 1 -11 15 5  o 410.7892 12.31109 39.71460       2.378947  39.14015       2.660774  42.00357       5.311276  407.7728 13.87140 421.1055 26.95403 -13.33270      30.31395 
1 1 1 -11 15 6  o 822.1075 11.64234 159.0566       4.502340  156.8851       5.058782  167.3306       9.874610  816.4091 13.17252 842.3333 24.92107 -25.92419      28.18820 
1 1 1 -11 15 7  o 1214.197 15.30628 347.1224       8.742349  347.1224       8.742349  0.000000       0.000000  1214.197 15.30628 ?        ?        0.000000       15.30628 
1 1 1 -11 15 8  o 1161.740 13.15903 317.7043       7.191213  314.9745       8.008220  329.0726       16.34223  1156.616 14.71897 1180.356 29.43264 -23.73962      32.90788 
1 1 1 -11 15 9  f 370.8000 11.75897 32.36174       2.051059  33.16833       2.183365  26.30500       5.982999  375.3781 12.36483 330.8423 39.20682 44.53589       41.11038 
1 1 1 -11 15 10 o 603.4167 12.87418 85.71985       3.654316  86.91136       4.087479  80.97504       8.156713  607.5293 14.30273 584.5421 29.76247 22.98718       33.02079 
1 1 1 -11 15 11 o 416.9231 15.45083 40.94455       3.030241  38.02022       3.721435  46.69854       5.220138  401.5724 19.70050 444.0161 25.09550 -42.44376      31.90445 
1 1 1 -11 15 12 o 236.4615 19.85460 13.27929       2.188024  14.47229       2.651937  10.73560       3.872364  246.5252 23.13899 208.9379 40.86337 37.58730       46.95985 
1 1 1 -11 15 13 o 629.3113 11.96390 93.25204       3.541666  105.9220       5.211741  82.38087       4.827629  670.3599 16.52744 591.1260 17.36139 79.23389       23.97027 
1 1 1 -11 15 14 o 801.4673 13.86541 151.3446       5.227427  143.3470       6.545512  165.4281       8.685951  779.5583 17.84949 836.8140 22.06577 -57.25568      28.38137 
1 1 1 -11 15 15 o 504.4733 14.23853 59.98653       3.378880  56.74792       6.827635  61.03695       3.888420  487.9876 29.88753 508.7052 16.24941 -20.71762      34.01923 
1 1 1 -11 15 16 o 284.4466 15.45555 19.14371       2.060257  20.15054       3.577799  18.64421       2.520010  290.2348 26.49801 280.2394 19.23269 9.995361       32.74203 
1 1 1 -11 15 17 o 667.1193 12.81787 104.9355       4.022433  103.4954       6.185441  105.9908       5.294962  661.3762 19.88167 669.8701 16.80363 -8.493896      26.03157 
1 1 1 -11 15 18 o 790.1739 13.50846 147.3352       5.021087  143.1444       7.506067  150.7293       6.754956  777.1926 20.53121 798.2146 17.99010 -21.02197      27.29788 
1 1 1 -11 15 19 o 414.9583 22.35885 41.04418       4.348281  47.84301       5.090998  22.70809       8.360637  447.5877 24.27068 294.1599 62.35685 153.4278       66.91370 
1 1 1 -11 15 20 o 251.9448 22.27432 15.22850       2.612653  13.88823       6.342686  15.50238       2.867197  229.0897 58.61637 253.7467 24.31869 -24.65698      63.46083 
1 1 1 -11 15 21 o 294.5834 18.14620 20.68487       2.502330  16.65303       4.451064  22.54800       3.025755  258.3492 37.73906 306.9178 21.08555 -48.56851      43.23005 
1 1 1 -11 15 22 o 113.9291 34.96310 3.203195       2.052983  4.519824       4.039829  2.744787       2.383732  139.1672 49.30455 109.6562 37.94330 29.51099       62.21441 
1 1 1 -11 15 23 o 676.5637 17.04653 108.9077       5.425179  98.84068       10.83693  112.2745       6.267046  630.6600 36.68786 685.7693 19.42744 -55.10938      41.51415 
1 1 1 -11 15 24 o 95.17056 35.89986 1.755608       2.192809  4.805460       4.019950  0.4637227      2.616334  140.0749 49.22812 87.86403 37.04093 52.21091       61.60713 
1 1 1 -11 15 25 o 299.4420 20.00098 21.59761       2.801095  26.26291       4.636507  18.91616       3.515084  325.4221 30.64935 277.3249 27.29881 48.09723       41.04397 
1 1 1 -11 15 26 o 163.7233 36.73754 7.005073       2.759822  6.972903       4.037200  7.033294       3.781311  159.9531 49.01989 160.8733 47.01236 -0.9202423     67.91989 
1 1 1 -11 15 27 o 236.5042 25.68681 13.84108       2.811766  9.554223       4.398556  16.80334       3.656387  184.3013 49.62959 258.2431 30.70069 -73.94176      58.35777 
1 1 1 -11 15 28 o 255.6358 25.56198 16.23631       3.032665  12.20166       4.614740  19.30332       4.023471  207.6649 48.17344 275.2075 31.65594 -67.54257      57.64355 
1 1 1 -11 15 29 o 143.8549 41.80465 5.773064       2.997437  5.401309       5.434576  5.935598       3.593437  142.1944 55.75680 144.5043 46.52439 -2.309891      72.61777 
1 1 1 -11 15 30 o 258.1645 28.76669 17.14064       3.434054  6.230678       5.874691  22.80361       4.232481  145.0289 57.61865 296.3123 30.81600 -151.2833      65.34167 
1 1 1 -11 15 31 o 293.9073 25.76596 22.07569       3.526305  14.31332       5.318266  28.16585       4.710720  209.0463 53.77526 326.5393 31.04116 -117.4930      62.09132 
1 1 1 -11 15 32 o 84.47649 38.24480 -0.2504100     3.265303  -1.874852      4.261745  2.058859       5.081275  86.61153 40.74668 110.2602 48.97340 -23.64871      63.70782 
1 1 1 -11 17 1  o 1416.240 17.03497 472.3526       11.34874  490.7849       19.84786  463.3991       13.83313  1441.819 29.26399 1402.294 20.97067 39.52551       36.00209 
1 1 1 -11 17 2  o 678.7334 10.94430 108.4102       3.494270  105.5059       4.699655  112.0006       5.225329  669.4261 14.92430 689.6660 16.10666 -20.23993      21.95812 
1 1 1 -11 17 3  o 276.8277 13.69420 18.03981       1.783264  16.19702       2.242869  21.20670       2.940242  261.5790 18.34374 299.2375 21.02144 -37.65845      27.89971 
1 1 1 -11 17 4  o 234.3494 15.62259 12.98947       1.712341  12.97862       2.153613  13.00811       2.823425  233.8594 19.76190 233.3451 26.17335 0.5143433      32.79599 
1 1 1 -11 17 5  o 1221.830 14.25188 351.4772       8.191289  361.4897       9.641785  325.5054       15.52882  1238.895 16.54450 1174.118 28.11624 64.77661       32.62274 
1 1 1 -11 17 6  o 369.3074 15.13968 32.11690       2.630111  32.11690       2.630111  0.000000       0.000000  369.3074 15.13968 ?        ?        0.000000       15.13968 
1 1 1 -11 17 7  o 1129.156 13.15999 300.1680       6.990028  297.9861       7.792434  309.1558       15.81546  1124.909 14.72606 1143.749 29.39555 -18.84045      32.87788 
1 1 1 -11 17 8  o 706.7252 11.12105 117.5602       3.697137  118.2917       4.035089  113.7337       9.228662  708.8726 12.10084 693.7340 28.27981 15.13861       30.76000 
1 1 1 -11 17 9  o 489.3379 10.95542 56.36303       2.521780  56.13877       2.683620  58.05589       7.373233  488.3374 11.68239 494.1924 31.88719 -5.854980      33.95984 
1 1 1 -11 17 10 o 935.7692 13.95954 206.2439       6.144821  204.8074       6.968370  211.2664       13.02991  932.3131 15.88913 944.8569 29.31609 -12.54382      33.34513 
1 1 1 -11 17 11 o 526.8042 13.80711 65.37343       3.421537  68.67515       3.833402  52.43758       7.587724  539.8632 15.09494 468.6751 34.66267 71.18805       37.80685 
1 1 1 -11 17 12 o 556.6508 13.53022 73.00123       3.542883  72.72201       4.172006  73.72332       6.709178  555.4031 15.96862 558.2031 25.55099 -2.799988      30.13055 
1 1 1 -11 17 13 o 270.3128 21.28597 17.37360       2.684733  18.25339       2.935997  12.88347       6.632779  276.9090 22.74059 225.7976 61.00342 51.11142       65.10416 
1 1 1 -11 17 14 o 533.8120 29.35522 67.92509       7.342957  67.92509       7.342957  0.000000       0.000000  533.8120 29.35522 ?        ?        0.000000       29.35522 
1 1 1 -11 17 15 o 461.6891 13.53908 50.26523       2.940411  51.54507       4.340870  49.18008       3.997106  466.8445 19.76675 456.1498 18.62811 10.69476       27.16120 
1 1 1 -11 17 16 o 314.8820 18.00603 23.52033       2.656003  24.45898       5.537241  23.23983       3.026944  316.6494 37.92939 312.5635 20.70442 4.085815       43.21240 
1 1 1 -11 17 17 o 789.2396 13.31381 147.0036       4.942886  139.0820       7.344074  153.5636       6.683167  765.9423 20.38317 805.6302 17.63507 -39.68799      26.95310 
1 1 1 -11 17 18 o 573.8904 13.02844 77.75557       3.517148  73.49882       5.413155  80.86552       4.626877  556.3743 20.68303 584.5217 16.82744 -28.14740      26.66365 
1 1 1 -11 17 19 o 79.74506 31.37186 0.9145378      1.725718  2.927758       3.606999  0.3169126      1.965236  122.6204 46.08669 77.20434 32.29895 45.41610       56.27792 
1 1 1 -11 17 20 o 454.7792 21.87275 49.34069       4.679218  55.89229       5.495752  32.07491       8.921684  482.6676 24.28283 350.0563 56.07279 132.6112       61.10494 
1 1 1 -11 17 21 o 175.6453 25.28617 7.555759       2.029029  7.141448       3.888688  7.710753       2.378469  165.5691 47.47220 176.2082 29.75435 -10.63907      56.02617 
1 1 1 -11 17 22 o 140.0514 31.11193 4.959382       1.996387  4.228415       3.910401  5.217068       2.321762  135.1047 48.43942 142.9073 34.85056 -7.802551      59.67360 
1 1 1 -11 17 23 o 216.8170 23.68176 11.44379       2.376053  20.81748       5.663503  9.441483       2.617554  283.6356 43.86327 194.8498 29.47914 88.78586       52.84890 
1 1 1 -11 17 24 o 252.2230 21.33818 15.38315       2.507948  17.95126       4.246298  14.00742       3.107935  267.0334 34.61935 238.1330 28.29890 28.90034       44.71383 
1 1 1 -11 17 25 o 417.5583 16.75442 41.61213       3.290909  33.34360       5.059261  47.67664       4.332822  367.1878 29.54065 445.2605 20.68651 -78.07275      36.06358 
1 1 1 -11 17 26 o 315.5456 20.01806 24.06715       2.955962  22.83365       4.925523  24.76147       3.695408  298.7668 35.75745 317.7646 24.92207 -18.99774      43.58560 
1 1 1 -11 17 27 o 233.5648 35.39659 14.16029       3.767130  9.301681       4.349777  28.73960       7.534932  180.7128 49.64410 319.2062 51.96898 -138.4934      71.87010 
1 1 1 -11 17 28 o 288.2786 24.78472 20.63722       3.328298  13.00832       6.131855  23.82360       3.962875  202.7794 60.03900 307.9299 27.65310 -105.1505      66.10125 
1 1 1 -11 17 29 o 100.0883 39.55566 2.025843       2.755254  1.206599       5.250166  2.337228       3.236794  114.2446 50.30757 106.7185 42.64978 7.526108       65.95344 
1 1 1 -11 17 30 o 271.9832 32.69440 19.66931       4.099161  0.000000       0.000000  19.66931       4.099161  ?        ?        271.9832 32.69440 0.000000       32.69440 
1 1 1 -11 17 31 o 106.5080 43.55629 2.615103       3.465338  -4.019025      4.594994  11.36445       5.276924  82.92218 39.91265 178.3621 56.26919 -95.43993      68.98725 
1 1 1 -11 19 1  o 444.5731 11.88150 46.52325       2.484756  47.70827       3.382280  45.13385       3.662358  450.0552 15.97624 437.6688 17.78877 12.38641       23.90984 
1 1 1 -11 19 2  o 231.6379 27.06337 12.84353       2.893313  0.000000       0.000000  12.84353       2.893313  ?        ?        231.6379 27.06337 0.000000       27.06337 
1 1 1 -11 19 3  o 1245.166 20.03186 365.5299       11.73324  0.000000       0.000000  365.5299       11.73324  ?        ?        1245.166 20.03186 0.000000       20.03186 
1 1 1 -11 19 4  o 694.7437 11.16004 113.6112       3.647199  114.1221       4.935598  112.9966       5.413270  696.0845 15.07331 692.5394 16.61674 3.545166       22.43481 
1 1 1 -11 19 5  o 718.4787 12.35141 121.5336       4.174456  122.5670       4.757223  118.0737       8.704412  721.4243 14.01824 706.9600 26.17431 14.46423       29.69184 
1 1 1 -11 19 6  o 459.6596 14.22660 49.76439       3.076144  49.76439       3.076144  0.000000       0.000000  459.6596 14.22660 ?        ?        0.000000       14.22660 
1 1 1 -11 19 7  o 171.4155 23.18909 7.063574       1.821837  7.049799       1.946230  7.161119       5.179006  170.9648 24.93392 174.2239 55.82820 -3.259094      61.14318 
1 1 1 -11 19 8  o 637.1844 11.29537 95.59155       3.385594  97.16635       3.703206  87.57433       8.355607  642.3525 12.25562 608.0907 29.21059 34.26184       31.67742 
1 1 1 -11 19 9  o 688.5584 11.09045 111.6352       3.592190  110.1440       3.868837  120.9572       9.673352  683.8779 12.02631 714.4713 28.78213 -30.59338      31.19364 
1 1 1 -11 19 10 o 195.3071 16.96632 9.064890       1.543257  9.222060       1.600524  6.985732       5.821314  196.9468 17.45695 174.8569 59.33089 22.08987       61.84578 
1 1 1 -11 19 11 o 454.3960 11.85279 48.63964       2.533519  48.29704       2.678697  51.54578       7.801636  452.7481 12.57760 463.4399 36.07096 -10.69183      38.20092 
1 1 1 -11 19 12 o 545.2673 13.37987 70.08710       3.431870  74.54025       4.088050  59.45809       6.315804  562.1108 15.46055 499.7936 26.96364 62.31714       31.08161 
1 1 1 -11 19 13 o 319.1735 18.39166 24.15451       2.749631  26.83116       3.171212  16.04722       5.519087  336.1909 20.14541 253.2322 48.09042 82.95879       52.13949 
1 1 1 -11 19 14 f 183.4015 31.02518 8.245028       2.581161  6.253250       3.035548  13.44455       4.904542  158.0099 40.61664 231.2377 46.69726 -73.22780      61.88978 
1 1 1 -11 19 15 o 346.9552 22.54724 28.69335       3.659935  28.69335       3.659935  0.000000       0.000000  346.9552 22.54724 ?        ?        0.000000       22.54724 
1 1 1 -11 19 16 o 351.5246 18.90421 29.36247       3.114478  24.41736       5.085385  32.33053       3.939787  316.5060 34.72696 368.0707 22.86787 -51.56479      41.58006 
1 1 1 -11 19 17 o 294.6895 20.67074 20.73040       2.847297  21.25446       5.877743  20.56971       3.254665  291.0612 44.32977 292.8311 23.83442 -1.769836      50.33099 
1 1 1 -11 19 18 o 310.3939 16.37634 22.88647       2.382646  22.66329       3.908998  23.01840       3.005491  306.1683 27.43252 310.3789 20.70394 -4.210632      34.36854 
1 1 1 -11 19 19 o 230.8458 19.56245 12.76720       2.104314  10.33818       3.748114  13.88526       2.542909  201.3408 40.96803 240.0527 22.79267 -38.71199      46.88161 
1 1 1 -11 19 20 o 176.5811 23.35075 7.590981       1.892031  7.573963       3.789643  7.596631       2.183658  170.4285 46.13907 175.5935 27.32525 -5.165054      53.62353 
1 1 1 -11 19 21 o 272.4276 29.02206 18.18317       3.661932  20.44962       4.242039  11.55470       7.254511  287.9424 31.85185 204.2617 66.13999 83.68077       73.41007 
1 1 1 -11 19 22 o 218.9758 21.36333 11.58911       2.172536  15.93341       5.466416  10.77419       2.367549  245.1697 49.11061 210.2006 24.39770 34.96907       54.83702 
1 1 1 -11 19 23 o 330.7725 16.53751 26.04923       2.573172  23.55145       4.387625  27.35868       3.176845  308.6909 30.61995 337.4442 20.10476 -28.75339      36.63035 
1 1 1 -11 19 24 o 258.8784 21.35234 16.22623       2.577021  16.59929       6.579212  16.15863       2.800816  241.5738 58.51567 257.6170 23.36640 -16.04320      63.00851 
1 1 1 -11 19 25 o 353.7780 16.87202 29.91884       2.807807  24.67205       4.796026  32.65494       3.463383  312.7756 33.10008 367.8593 20.09074 -55.08368      38.72019 
1 1 1 -11 19 26 o 378.2379 17.57314 34.33662       3.126682  27.84139       4.946626  38.65829       4.034949  331.6938 32.10485 398.7804 21.59015 -67.08664      38.68922 
1 1 1 -11 19 27 o 331.5378 19.88844 26.72772       3.087390  23.79777       4.690538  28.96750       4.101052  303.9624 33.35252 341.5139 25.71680 -37.55154      42.11584 
1 1 1 -11 19 28 o 88.93483 37.71668 0.7501788      2.738749  2.882878       5.063847  -0.1315874     3.256061  123.0991 51.69396 88.84472 39.34452 34.25439       64.96350 
1 1 1 -11 19 29 f 140.0850 40.25720 5.607069       2.793599  2.230975       4.453825  7.796805       3.586921  112.9251 48.00276 161.8140 45.31940 -48.88889      66.01600 
1 1 1 -11 21 1  o 628.9332 11.23981 93.13076       3.325315  94.99300       4.630274  91.14726       4.778645  634.8969 15.50366 621.8456 16.33627 13.05121       22.52192 
1 1 1 -11 21 2  o 1428.064 21.86433 481.5623       14.68767  0.000000       0.000000  481.5623       14.68767  ?        ?        1428.064 21.86433 0.000000       21.86433 
1 1 1 -11 21 3  o 704.5534 12.61366 116.9116       4.180462  105.1427       5.854346  129.1564       5.971527  667.6141 18.64162 740.1038 17.15235 -72.48962      25.33205 
1 1 1 -11 21 4  o 362.5496 16.82105 30.99331       2.868731  31.21284       5.285271  30.90163       3.415660  361.3766 31.40345 361.2558 20.18041 0.1208191      37.32862 
1 1 1 -11 21 5  o 128.8006 31.18787 4.093943       1.869471  4.093943       1.869471  0.000000       0.000000  128.8006 31.18787 ?        ?        0.000000       31.18787 
1 1 1 -11 21 6  o 608.2698 12.41924 87.15619       3.553535  86.77070       3.918399  88.94174       8.433100  606.8201 13.72712 612.3336 29.27722 -5.513489      32.33558 
1 1 1 -11 21 7  o 264.5606 15.19307 16.55696       1.882844  15.52371       1.984725  25.85315       5.953183  256.0022 16.57000 326.5591 39.56139 -70.55688      42.89136 
1 1 1 -11 21 8  o 715.2303 11.32368 120.4960       3.809804  117.1328       4.073318  143.9953       10.76715  705.0865 12.28108 778.5768 29.39881 -73.49036      31.86087 
1 1 1 -11 21 9  o 673.2678 12.88300 106.8356       4.080131  107.0192       4.523617  106.0345       9.448793  673.6872 14.27441 667.6651 30.08488 6.022095       33.29954 
1 1 1 -11 21 10 o 457.9296 11.31704 49.40790       2.437815  47.49313       2.554538  68.93580       8.157966  448.9126 12.09710 536.5865 32.47304 -87.67392      34.65311 
1 1 1 -11 21 11 o 472.8518 11.69742 52.69646       2.601863  51.75781       2.747031  60.87991       8.111104  468.5566 12.46327 503.1735 34.47619 -34.61685      36.65980 
1 1 1 -11 21 12 o 360.8009 14.36432 30.72262       2.437933  30.72262       2.437933  0.000000       0.000000  360.8009 14.36432 ?        ?        0.000000       14.36432 
1 1 1 -11 21 13 o 176.0518 28.25805 7.573966       2.261033  6.596116       2.413589  14.58383       6.462225  163.1204 32.59481 237.2368 58.31829 -74.11636      66.80901 
1 1 1 -11 21 14 o 362.3535 17.55695 31.07714       2.992615  33.39191       3.569596  25.60199       5.489896  374.6685 20.32972 323.5844 36.71677 51.08408       41.96926 
1 1 1 -11 21 15 o 208.5276 28.60905 10.60083       2.732347  8.250518       3.195318  16.99464       5.270253  181.0044 38.70051 259.7235 44.75262 -78.71912      59.16525 
1 1 1 -11 21 16 o 267.2963 28.67444 17.33809       3.549115  17.33809       3.549115  0.000000       0.000000  267.2963 28.67444 ?        ?        0.000000       28.67444 
1 1 1 -11 21 17 o 374.0043 22.20589 33.46599       3.889220  42.56837       6.845855  29.12811       4.725948  416.9105 35.23726 346.6411 29.25611 70.26944       45.79939 
1 1 1 -11 21 18 o 164.0083 32.18460 6.734198       2.394365  5.061790       3.341617  8.498812       3.432498  142.3610 44.75895 182.1503 41.04382 -39.78931      60.72857 
1 1 1 -11 21 19 f 84.77692 33.97729 0.9285099      2.060686  -2.886951      3.340832  3.271635       2.618055  78.54002 36.66616 117.8877 39.78974 -39.34766      54.10758 
1 1 1 -11 21 20 o 338.9036 16.12244 27.26627       2.570255  32.89001       4.405634  24.36457       3.164622  368.8306 25.55030 318.6120 21.23664 50.21860       33.22368 
1 1 1 -11 21 21 o 168.1964 24.77026 6.948679       1.901139  6.859327       3.516228  6.985590       2.259949  161.7942 44.71216 167.1616 29.83484 -5.367447      53.75216 
1 1 1 -11 21 22 o 157.8385 27.35748 6.208026       1.957620  0.2562383      3.657831  8.597029       2.317439  100.0205 43.03224 186.4118 27.23138 -86.39131      50.92467 
1 1 1 -11 21 23 o 75.32922 30.78278 0.6089933      1.729231  -2.163794      3.613487  1.432601       1.969375  84.99252 39.13755 88.46107 33.86387 -3.468544      51.75432 
1 1 1 -11 21 24 o 254.0221 21.21532 15.66158       2.511870  9.976069       3.888640  19.73246       3.290462  192.5257 43.91044 283.7488 24.90393 -91.22308      50.48101 
1 1 1 -11 21 25 o 109.1691 36.70879 2.954261       2.228233  6.096909       6.139799  2.477563       2.391265  153.9029 59.56239 104.2135 37.81030 49.68941       70.54996 
1 1 1 -11 21 26 o 310.7708 18.63217 23.38824       2.711215  19.72900       4.222532  25.95506       3.536513  276.9290 33.06820 324.8575 23.29736 -47.92853      40.45087 
1 1 1 -11 21 27 o 243.9520 25.09612 14.90406       2.838840  12.33650       5.008659  16.11926       3.445760  202.1846 52.27663 250.7889 29.79109 -48.60429      60.16938 
1 1 1 -11 21 28 o 85.09206 38.65359 -0.8383679     3.369950  -5.511297      4.086942  9.087397       5.956428  74.70014 36.35552 164.2783 59.66357 -89.57812      69.86749 
1 1 1 -11 23 1  o 1036.508 12.95341 253.1723       6.315769  272.7319       9.315310  236.5318       8.592148  1074.751 18.42554 1000.923 18.24869 73.82794       25.93290 
1 1 1 -11 23 2  o 322.3924 12.98484 24.49401       1.969204  25.22370       2.496429  23.29219       3.203836  326.9793 16.23041 313.0674 21.89302 13.91196       27.25309 
1 1 1 -11 23 3  o 1045.519 14.55244 257.7509       7.157100  251.6350       11.07786  262.1329       9.376815  1031.139 22.83859 1053.451 18.92220 -22.31213      29.65891 
1 1 1 -11 23 4  o 565.2508 11.59250 75.27379       3.082390  82.63747       4.200903  66.68561       4.536759  591.9127 15.08745 531.3889 18.14947 60.52380       23.60158 
1 1 1 -11 23 5  o 112.3313 32.21967 3.077790       1.790994  4.903846       1.920014  -9.155767      4.969625  140.9780 29.88045 80.89855 39.52818 60.07946       49.55116 
1 1 1 -11 23 6  o 674.2454 12.57425 107.1538       3.988129  106.5766       4.423364  109.6611       9.219839  672.2561 13.98778 678.9876 28.86637 -6.731506      32.07687 
1 1 1 -11 23 7  o 270.6265 14.72526 17.33035       1.867520  16.78428       1.982055  21.64982       5.574507  266.1808 15.90230 297.2467 40.95510 -31.06595      43.93408 
1 1 1 -11 23 8  o 169.5721 18.62866 6.879728       1.461466  7.362383       1.524924  1.439953       5.119414  175.4676 18.76586 127.5023 52.63174 47.96535       55.87717 
1 1 1 -11 23 9  o 129.1500 22.23781 4.064848       1.302255  4.385660       1.344710  -0.7764567     5.223783  134.3000 22.05102 115.5991 50.55888 18.70098       55.15839 
1 1 1 -11 23 10 o 273.8737 13.39299 17.69794       1.725429  18.88279       1.803990  4.976219       5.911215  282.8818 13.55688 157.7197 59.05330 125.1620       60.58945 
1 1 1 -11 23 11 o 489.8437 11.79394 56.58702       2.717601  56.43650       2.859032  57.99644       8.748768  489.1198 12.42609 488.3026 38.39778 0.8172913      40.35836 
1 1 1 -11 23 12 o 172.2776 25.54329 7.222523       2.007314  6.849822       2.118688  10.49049       6.273729  167.1556 27.93045 201.6880 60.96160 -34.53246      67.05540 
1 1 1 -11 23 13 o 148.6044 28.58841 5.459790       1.925882  5.459790       1.925882  0.000000       0.000000  148.6044 28.58841 ?        ?        0.000000       28.58841 
1 1 1 -11 23 14 o 398.4955 18.21302 37.65224       3.414088  42.85883       3.865806  19.19739       7.278109  424.9381 19.33949 270.0277 58.95180 154.9105       62.04298 
1 1 1 -11 23 15 o 67.10069 31.00410 -1.769986      2.295841  -2.178312      2.471627  0.7981571      6.198533  67.98569 31.67135 132.0429 56.39114 -64.05724      64.67639 
1 1 1 -11 23 16 o 346.0200 19.46903 28.54641       3.156068  31.31205       3.848266  22.86452       5.515854  361.5765 22.74122 302.9717 39.65450 58.60474       45.71260 
1 1 1 -11 23 17 o 322.1763 19.88566 24.79392       2.998987  23.59675       3.546274  27.79974       5.619220  313.0924 24.26816 335.5510 36.17167 -22.45865      43.55839 
1 1 1 -11 23 18 o 223.1148 34.02972 12.39169       3.458493  15.02676       5.311289  10.45193       4.556996  240.0790 48.69563 199.4754 48.93431 40.60355       69.03500 
1 1 1 -11 23 19 o 261.7732 22.79743 16.53243       2.779220  14.63355       3.701697  18.98574       4.207535  242.7014 33.30136 277.0978 32.92369 -34.39641      46.82895 
1 1 1 -11 23 20 o 182.0348 26.49257 8.161254       2.201998  7.014803       3.451108  8.948483       2.859773  163.6660 43.91357 188.4613 33.48495 -24.79535      55.22358 
1 1 1 -11 23 21 o 266.9841 20.38748 17.16625       2.541105  19.99634       4.242790  15.58323       3.173182  283.5074 32.39561 252.0012 27.19972 31.50618       42.30012 
1 1 1 -11 23 22 o 469.6384 20.05729 52.91610       4.431035  57.29698       5.212234  41.49822       8.414646  487.3291 22.73696 397.9845 45.78099 89.34454       51.11623 
1 1 1 -11 23 23 o 229.8784 22.74191 12.90669       2.426947  13.74407       3.784261  12.32164       3.163102  231.2661 35.95342 221.0051 31.30089 10.26102       47.66964 
1 1 1 -11 23 24 o 235.6532 36.06057 14.40463       3.870226  14.40463       3.870226  0.000000       0.000000  235.6532 36.06057 ?        ?        0.000000       36.06057 
1 1 1 -11 23 25 o 331.7976 17.46135 26.55791       2.715748  16.24147       4.034017  35.10891       3.672662  249.4969 35.36164 379.7834 20.63521 -130.2864      40.94212 
1 1 1 -11 23 26 o 173.0396 37.41540 8.133928       2.956847  0.000000       0.000000  8.133928       2.956847  ?        ?        173.0396 37.41540 0.000000       37.41540 
1 1 1 -11 25 1  o 847.0530 14.87825 169.3197       5.928323  185.2854       11.46536  163.4935       6.926040  882.5067 27.61853 831.7776 17.70143 50.72906       32.80433 
1 1 1 -11 25 2  o 188.8966 17.79081 8.506779       1.562221  7.746039       1.862928  10.30937       2.867657  179.3972 22.57548 205.7559 30.55634 -26.35870      37.99134 
1 1 1 -11 25 3  o 163.2237 22.35886 6.430122       1.671605  5.576695       2.068428  8.036920       2.838167  150.2974 30.30256 180.2547 34.73162 -29.95738      46.09263 
1 1 1 -11 25 4  o 492.0368 14.48186 57.13523       3.351901  58.02617       4.365886  55.85613       5.231199  495.2945 18.73871 485.2667 22.91666 10.02774       29.60258 
1 1 1 -11 25 5  o 244.9768 17.48249 14.25847       2.001413  13.49070       2.144225  19.45303       5.577365  237.9830 19.32059 280.1219 43.75757 -42.13881      47.83315 
1 1 1 -11 25 6  o 264.7193 17.43334 16.64003       2.158729  15.78617       2.333760  21.70036       5.681365  257.5099 19.40874 296.6021 41.88569 -39.09216      46.16395 
1 1 1 -11 25 7  o 185.9252 19.87110 8.280133       1.711004  8.859535       1.814655  3.638526       5.136157  192.3035 20.37045 142.2842 54.63552 50.01935       58.30948 
1 1 1 -11 25 8  o 804.0955 13.71498 152.6209       5.187666  153.4238       5.839241  149.6136       11.30107  805.8301 15.40436 790.6149 30.38682 15.21527       34.06836 
1 1 1 -11 25 9  o 175.5177 17.08044 7.355929       1.392362  7.539338       1.439270  4.678954       5.498628  177.6570 17.44737 152.2529 56.96521 25.40416       59.57722 
1 1 1 -11 25 10 o 98.24854 27.56372 2.371345       1.325688  3.008031       1.367897  -7.470274      5.378044  110.0999 26.68928 90.11044 43.32566 19.98949       50.88645 
1 1 1 -11 25 11 f 138.5703 25.67523 4.723015       1.611976  5.241411       1.667259  -2.707491      6.312211  146.2746 25.13655 117.5834 53.20905 28.69114       58.84768 
1 1 1 -11 25 12 o 202.5680 19.98357 9.832952       1.879389  8.698530       1.959424  22.87456       6.643648  189.9421 22.35806 300.4575 48.67091 -110.5154      53.56062 
1 1 1 -11 25 13 o 407.6852 13.47715 39.26739       2.584594  38.35328       2.733700  46.96790       7.934330  402.7807 14.42823 437.2050 38.98856 -34.42432      41.57261 
1 1 1 -11 25 14 o 382.0115 16.77409 34.57727       3.014288  37.59755       3.353801  21.88466       6.875263  398.1424 17.90728 291.2963 52.08664 106.8462       55.07893 
1 1 1 -11 25 15 o 95.02003 37.86377 1.240841       2.543920  0.9784181      2.832454  2.335613       5.785266  96.39796 39.39520 136.7013 56.13394 -40.30331      68.57842 
1 1 1 -11 25 16 o 374.3704 15.78668 33.21460       2.780107  32.92303       2.996449  35.01784       7.451836  372.4800 17.10152 373.3122 43.23500 -0.8322144     46.49438 
1 1 1 -11 25 17 o 80.65085 34.38193 0.1172062      2.296813  0.1172062      2.296813  0.000000       0.000000  80.65085 34.38193 ?        ?        0.000000       34.38193 
1 1 1 -11 25 18 f 262.2022 32.25495 17.00542       3.894451  17.00542       3.894451  0.000000       0.000000  262.2022 32.25495 ?        ?        0.000000       32.25495 
1 1 1 -11 25 19 f 427.8301 22.13174 44.01830       4.438818  59.45304       7.995721  37.14236       5.336717  489.6946 34.93998 389.6403 29.33179 100.0544       45.61969 
1 1 1 -11 25 20 o 235.7198 27.87807 13.69684       3.031342  13.36802       4.577963  13.95358       4.045225  225.2075 44.79016 233.5220 38.14225 -8.314529      58.83018 
1 1 1 -11 25 21 o 74.99715 33.84828 -1.040468      2.534909  0.9298455      3.879386  -2.508576      3.348685  106.3221 44.97836 79.42097 36.95383 26.90115       58.21201 
1 1 1 -11 25 22 f 184.7859 32.64149 8.736099       2.733561  6.829185       3.618102  11.27230       4.172600  158.3781 45.90173 204.1567 44.68845 -45.77858      64.06268 
1 1 1 -11 25 23 o 128.9584 41.62142 4.375860       2.874618  3.244969       3.320539  7.758621       5.742933  118.5531 44.28513 164.6648 58.73780 -46.11175      73.56155 
1 1 1 -11 25 24 o 122.5499 40.88139 3.945693       2.763479  2.472008       3.306471  7.360286       5.033056  110.2161 43.40388 158.7526 55.12284 -48.53652      70.15999 
1 1 1 -11 27 1  o 441.9307 15.90942 46.13999       3.307332  42.65755       6.540648  47.33630       3.833548  420.5390 33.33636 447.3145 18.21875 -26.77554      37.98995 
1 1 1 -11 27 2  o 373.0939 12.74982 32.83459       2.237647  33.66525       2.883220  31.57650       3.548339  377.4447 16.23884 364.4261 20.78499 13.01868       26.37642 
1 1 1 -11 27 3  o 176.5006 20.20954 7.475448       1.647681  5.817970       1.974325  11.27883       2.990747  153.8271 28.32833 215.1790 30.39281 -61.35190      41.54778 
1 1 1 -11 27 4  o 207.7530 20.83339 10.33294       2.008564  9.045779       2.375472  13.56124       3.762008  193.0470 26.88885 235.0619 35.09786 -42.01483      44.21392 
1 1 1 -11 27 5  o 579.5253 12.69235 79.23306       3.460060  78.20913       3.823903  83.85851       8.127355  575.5602 14.12365 592.3593 29.16720 -16.79907      32.40683 
1 1 1 -11 27 6  o 259.8515 17.78681 16.05260       2.161089  15.61624       2.349228  18.45422       5.511311  255.9745 19.66028 271.7358 44.66856 -15.76125      48.80376 
1 1 1 -11 27 7  o 164.4247 26.33457 6.601608       1.968121  6.239626       2.114689  8.944710       5.380208  159.1039 29.33590 187.4906 56.40523 -28.38664      63.57787 
1 1 1 -11 27 8  o 471.6387 11.43643 52.46176       2.537284  51.51724       2.677777  60.76101       7.937574  467.2880 12.18205 501.2389 33.86323 -33.95090      35.98779 
1 1 1 -11 27 9  f 51.14264 23.17473 -0.6793664     1.202111  -0.9851716     1.231612  5.475625       5.525417  49.21341 22.72837 158.0838 57.45667 -108.8704      61.78873 
1 1 1 -11 27 10 o 389.1837 12.78002 35.75752       2.339675  35.75752       2.339675  0.000000       0.000000  389.1837 12.78002 ?        ?        0.000000       12.78002 
1 1 1 -11 27 11 o 256.9888 15.67994 15.68286       1.886449  15.82761       1.989073  14.38764       5.949856  258.0512 16.47204 234.6815 54.87691 23.36969       57.29575 
1 1 1 -11 27 12 o 247.0106 17.56791 14.53559       2.027983  14.10028       2.139891  18.37396       6.354301  243.0254 18.86636 266.3299 52.58614 -23.30450      55.86807 
1 1 1 -11 27 13 o 113.8292 33.68813 3.196603       1.930849  3.400390       2.079629  1.923306       5.198318  117.3796 35.01303 129.1542 53.14296 -11.77455      63.64030 
1 1 1 -11 27 14 o 199.5895 23.40139 9.644878       2.155395  9.933134       2.312324  7.734840       5.952249  202.2330 24.82827 175.5365 59.99231 26.69655       64.92703 
1 1 1 -11 27 15 o 431.5742 14.59975 44.10897       2.963944  45.18787       3.240492  38.58502       7.332384  436.5699 15.77930 393.1832 40.21009 43.38669       43.19535 
1 1 1 -11 27 16 o 117.7010 36.79682 3.414147       2.262070  3.414147       2.262070  0.000000       0.000000  117.7010 36.79682 ?        ?        0.000000       36.79682 
1 1 1 -11 27 17 o 400.8804 19.61991 38.36469       3.699826  36.44888       4.208263  44.88704       7.764789  388.9954 23.10161 422.6926 39.50953 -33.69717      45.76776 
1 1 1 -11 27 18 o 498.9358 14.80922 59.10614       3.475731  62.49633       3.903628  46.13556       7.635470  512.5750 16.18981 428.1092 38.32043 84.46573       41.60006 
1 1 1 -11 27 19 o 157.8124 48.82427 6.645641       3.994261  9.212248       6.095862  4.714626       5.287474  181.8221 60.71865 144.7865 55.47295 37.03558       82.24356 
1 1 1 -11 27 20 o 218.3171 41.15290 12.53973       4.071264  20.57670       6.221031  6.519025       5.384431  274.9637 49.93623 157.5819 56.80373 117.3818       75.63261 
1 1 1 -11 27 21 o 227.1637 39.67797 13.58487       4.085618  16.96492       6.135358  10.89180       5.476486  243.4920 54.87909 193.2753 56.60471 50.21669       78.84039 
1 1 1 -11 29 1  o 146.9332 35.18319 5.401380       2.399595  11.17717       5.306982  3.917076       2.690316  208.3790 53.77804 127.5497 40.17042 80.82933       67.12481 
1 1 1 -11 29 2  o 331.2031 13.75789 25.89631       2.143461  29.44274       2.810546  20.96586       3.313886  352.8184 16.93441 295.9535 24.01070 56.86493       29.38177 
1 1 1 -11 29 3  o 207.3869 18.82422 10.26941       1.816395  13.74845       2.332884  4.913321       2.894587  239.8436 20.88587 140.7062 41.13628 99.13742       46.13473 
1 1 1 -11 29 4  o 146.1484 27.21758 5.257482       1.802315  6.599287       2.439889  3.645987       2.673867  162.9170 32.96892 123.9651 40.15558 38.95187       51.95595 
1 1 1 -11 29 5  o 249.1585 18.41328 14.78417       2.142835  14.86712       2.376403  14.42331       4.956443  249.5090 20.42620 238.8599 45.77833 10.64906       50.12869 
1 1 1 -11 29 6  o 292.5971 21.43739 20.44370       2.930066  19.74907       3.427226  22.33056       5.648538  286.6129 25.69289 300.1855 41.07950 -13.57260      48.45255 
1 1 1 -11 29 7  o 405.5267 14.59124 38.86629       2.783435  39.87180       3.096295  34.63139       6.354327  410.5341 16.03333 376.5338 36.32618 34.00024       39.70716 
1 1 1 -11 29 8  o 304.6628 12.84806 21.91685       1.841307  21.92813       1.944765  21.81927       5.721589  304.6724 13.56953 295.7511 42.33413 8.921295       44.45572 
1 1 1 -11 29 9  o 353.4708 12.14568 29.49483       2.019503  31.43994       2.155894  15.56481       5.769413  364.8935 12.56007 245.2133 51.64845 119.6801       53.15371 
1 1 1 -11 29 10 o 256.2625 15.16409 15.59320       1.819842  16.40143       1.935913  9.453032       5.335915  262.7491 15.73543 190.3256 55.91141 72.42351       58.08347 
1 1 1 -11 29 11 o 462.9852 14.28707 50.70700       3.111571  54.65522       3.535116  37.12842       6.555877  480.3987 15.64345 388.6626 36.27761 91.73608       39.50674 
1 1 1 -11 29 12 o 307.4432 15.35494 22.39016       2.220661  21.20528       2.382532  30.23187       6.129242  298.4807 17.03954 349.2231 37.92016 -50.74240      41.57264 
1 1 1 -11 29 13 o 319.8230 43.00956 25.87396       6.306564  0.000000       0.000000  25.87396       6.306564  ?        ?        319.8230 43.00956 0.000000       43.00956 
1 1 1 -11 29 14 o 122.8884 45.18072 3.234671       3.430658  9.892985       4.879701  -3.272890      4.824142  192.4912 52.45810 96.74977 44.78751 95.74141       68.97661 
1 1 1 -11 29 15 o 258.4175 32.08891 16.55008       3.816773  22.74079       5.872128  12.02140       5.022398  297.9669 43.15065 211.8359 51.01103 86.13103       66.81396 
1 1 1 -11 29 16 o 161.1892 45.30515 6.854884       3.578032  11.00476       5.489761  3.790131       4.717737  199.7629 56.10780 135.6554 52.29167 64.10751       76.69748 
1 1 1 -11 29 17 o 153.2004 46.38766 6.205335       3.630258  -0.8629608     4.900231  14.80381       5.404678  107.3145 47.85209 233.6364 50.63836 -126.3220      69.67112 
1 1 1 -11 29 18 o 141.9685 48.04562 5.194017       3.817294  6.420928       5.749945  4.227111       5.104453  158.3496 58.44774 139.3991 54.20850 18.95049       79.71637 
1 1 1 -11 31 1  o 108.4630 37.01522 2.656523       2.265919  -1.242568      4.153821  4.308315       2.703608  99.27485 44.17757 132.2132 40.03159 -32.93836      59.61699 
1 1 1 -11 31 2  o 226.2172 18.48952 12.21119       1.950327  13.09149       2.575908  11.02863       2.985573  233.2214 23.81378 212.1436 30.81933 21.07784       38.94775 
1 1 1 -11 31 3  o 281.5767 17.03820 18.84436       2.246157  19.10517       2.659613  18.19560       4.194597  282.9520 20.11288 272.6693 33.40121 10.28278       38.98934 
1 1 1 -11 31 4  o 225.9265 49.14855 13.14507       5.074711  0.000000       0.000000  13.14507       5.074711  ?        ?        225.9265 49.14855 0.000000       49.14855 
1 1 1 -11 31 5  o 175.4295 24.93559 7.491426       1.999828  8.415936       2.197879  3.043995       4.820615  185.9151 25.82939 133.9573 52.51677 51.95779       58.52494 
1 1 1 -11 31 6  o 65.82045 30.98448 -2.576197      2.471298  -2.048752      3.033178  -3.617717      4.262289  78.35455 35.99801 88.95998 41.49191 -10.60544      54.93119 
1 1 1 -11 31 7  f 488.9881 19.58366 56.83053       4.504653  66.17123       6.294959  47.02735       6.448915  525.7621 25.45273 440.2346 31.34578 85.52750       40.37820 
1 1 1 -11 31 8  o 571.8660 19.37093 77.74980       5.210915  105.7670       7.873787  55.91558       6.950893  664.5393 25.18800 480.0867 30.94360 184.4526       39.89914 
1 1 1 -11 31 9  o 287.1630 34.62036 20.35672       4.582289  20.35672       4.582289  0.000000       0.000000  287.1630 34.62036 ?        ?        0.000000       34.62036 
1 1 1 -11 31 10 o 319.2914 25.23999 24.61424       3.760023  26.81035       5.243094  22.28894       5.395114  329.8355 34.29396 298.2547 39.42020 31.58087       52.24966 
1 1 1 -11 31 11 o 435.8156 22.37288 45.55842       4.571174  59.83948       7.073047  35.31511       5.990271  495.6549 30.48375 378.6629 33.99185 116.9920       45.65857 
1 1 1 -11 31 12 o 174.5127 52.42043 8.070750       4.649504  0.000000       0.000000  8.070750       4.649504  ?        ?        174.5127 52.42043 0.000000       52.42043 
1 1 1 -11 31 13 o 139.2258 45.79234 4.858372       3.471783  11.79251       5.716021  0.8049941      4.370248  207.1026 56.91533 112.0117 47.58086 95.09089       74.18418 
1 1 1 -10 0  2  o 232.5006 22.51829 13.08035       2.409751  13.08035       2.409751  13.08035       2.409751  232.5006 22.51829 232.5006 22.51829 0.000000       0.000000 
1 1 1 -10 0  3  o 649.8227 13.46214 99.48134       4.111095  99.48134       4.111095  99.48134       4.111095  649.8227 13.46214 649.8227 13.46214 0.000000       0.000000 
1 1 1 -10 0  4  o 2074.191 27.71634 1014.008       27.03207  1014.008       27.03207  1014.008       27.03207  2074.191 27.71634 2074.191 27.71634 0.000000       0.000000 
1 1 1 -10 0  5  o 721.4422 12.64875 122.5716       4.289607  122.5716       4.289607  122.5716       4.289607  721.4422 12.64875 721.4422 12.64875 0.000000       0.000000 
1 1 1 -10 0  6  o 458.9623 11.04429 49.64416       2.381309  49.64416       2.381309  49.64416       2.381309  458.9623 11.04429 458.9623 11.04429 0.000000       0.000000 
1 1 1 -10 0  7  o 928.4490 14.82623 203.0190       6.471551  203.0190       6.471551  203.0190       6.471551  928.4490 14.82623 928.4490 14.82623 0.000000       0.000000 
1 1 1 -10 0  8  o 770.1015 20.09977 139.9525       7.270080  139.9525       7.270080  139.9525       7.270080  770.1015 20.09977 770.1015 20.09977 0.000000       0.000000 
1 1 1 -10 0  9  o 572.4277 13.42060 77.25307       3.609296  77.25307       3.609296  77.25307       3.609296  572.4277 13.42060 572.4277 13.42060 0.000000       0.000000 
1 1 1 -10 0  10 o 83.61285 39.10535 2.419458       1.718012  2.419458       1.718012  2.419458       1.718012  83.61285 39.10535 83.61285 39.10535 0.000000       0.000000 
1 1 1 -10 0  11 o 69.17577 39.34878 1.469959       1.994787  1.469959       1.994787  1.469959       1.994787  69.17577 39.34878 69.17577 39.34878 0.000000       0.000000 
1 1 1 -10 0  12 o 445.3517 21.71470 47.05708       4.524450  47.05708       4.524450  47.05708       4.524450  445.3517 21.71470 445.3517 21.71470 0.000000       0.000000 
1 1 1 -10 0  13 o 932.0697 17.56312 204.7115       7.694342  204.7115       7.694342  204.7115       7.694342  932.0697 17.56312 932.0697 17.56312 0.000000       0.000000 
1 1 1 -10 0  14 o 458.2661 18.37377 49.66797       3.946355  49.66797       3.946355  49.66797       3.946355  458.2661 18.37377 458.2661 18.37377 0.000000       0.000000 
1 1 1 -10 0  15 o 565.7684 18.24181 75.57267       4.843418  75.57267       4.843418  75.57267       4.843418  565.7684 18.24181 565.7684 18.24181 0.000000       0.000000 
1 1 1 -10 0  16 o 1289.084 31.68859 392.3901       19.18935  392.3901       19.18935  392.3901       19.18935  1289.084 31.68859 1289.084 31.68859 0.000000       0.000000 
1 1 1 -10 0  17 o 560.4573 20.45592 74.24702       5.376706  74.24702       5.376706  74.24702       5.376706  560.4573 20.45592 560.4573 20.45592 0.000000       0.000000 
1 1 1 -10 0  18 o 632.4539 20.70429 94.48816       6.144729  94.48816       6.144729  94.48816       6.144729  632.4539 20.70429 632.4539 20.70429 0.000000       0.000000 
1 1 1 -10 0  19 o 957.8544 28.01855 216.8549       12.60007  216.8549       12.60007  216.8549       12.60007  957.8544 28.01855 957.8544 28.01855 0.000000       0.000000 
1 1 1 -10 0  20 o 1334.330 23.35003 419.9441       14.64604  419.9441       14.64604  419.9441       14.64604  1334.330 23.35003 1334.330 23.35003 0.000000       0.000000 
1 1 1 -10 0  21 f 258.5932 37.09418 16.75079       4.242882  16.75079       4.242882  16.75079       4.242882  258.5932 37.09418 258.5932 37.09418 0.000000       0.000000 
1 1 1 -10 0  22 o 153.0152 61.66192 7.749909       4.327373  7.749909       4.327373  7.749909       4.327373  153.0152 61.66192 153.0152 61.66192 0.000000       0.000000 
1 1 1 -10 0  23 o 55.94138 39.45768 -4.843872      4.141221  -4.843872      4.141221  -4.843872      4.141221  55.94138 39.45768 55.94138 39.45768 0.000000       0.000000 
1 1 1 -10 0  24 o 425.1111 43.67733 44.47087       8.523056  44.47087       8.523056  44.47087       8.523056  425.1111 43.67733 425.1111 43.67733 0.000000       0.000000 
1 1 1 -10 0  25 o 101.3293 63.09278 1.867717       6.087565  1.867717       6.087565  1.867717       6.087565  101.3293 63.09278 101.3293 63.09278 0.000000       0.000000 
1 1 1 -10 0  26 o 80.21009 51.43252 0.3785643      4.394442  0.3785643      4.394442  0.3785643      4.394442  80.21009 51.43252 80.21009 51.43252 0.000000       0.000000 
1 1 1 -10 0  27 o 165.6042 64.12720 9.167562       4.748441  9.167562       4.748441  9.167562       4.748441  165.6042 64.12720 165.6042 64.12720 0.000000       0.000000 
1 1 1 -10 0  28 o 391.8849 30.90568 37.38437       5.615756  37.38437       5.615756  37.38437       5.615756  391.8849 30.90568 391.8849 30.90568 0.000000       0.000000 
1 1 1 -10 0  29 f 164.9861 64.97301 9.310864       4.841613  9.310864       4.841613  9.310864       4.841613  164.9861 64.97301 164.9861 64.97301 0.000000       0.000000 
1 1 1 -10 0  30 o 62.57240 43.26289 -3.081718      4.326367  -3.081718      4.326367  -3.081718      4.326367  62.57240 43.26289 62.57240 43.26289 0.000000       0.000000 
1 1 1 -10 0  31 o 196.4620 73.52221 13.29370       6.337701  13.29370       6.337701  13.29370       6.337701  196.4620 73.52221 196.4620 73.52221 0.000000       0.000000 
1 1 1 -10 0  32 o 57.99692 40.58125 -3.729912      4.123240  -3.729912      4.123240  -3.729912      4.123240  57.99692 40.58125 57.99692 40.58125 0.000000       0.000000 
1 1 1 -10 0  33 o 274.8496 42.25525 19.90440       5.079198  19.90440       5.079198  19.90440       5.079198  274.8496 42.25525 274.8496 42.25525 0.000000       0.000000 
1 1 1 -10 0  34 f 157.0434 79.10871 10.71938       7.216450  10.71938       7.216450  10.71938       7.216450  157.0434 79.10871 157.0434 79.10871 0.000000       0.000000 
1 1 1 -10 0  35 o 102.1541 60.38842 3.977408       4.992301  3.977408       4.992301  3.977408       4.992301  102.1541 60.38842 102.1541 60.38842 0.000000       0.000000 
1 1 1 -10 2  1  o 738.4402 10.56800 128.3132       3.670941  123.8959       5.225708  132.6167       5.157943  725.4332 15.31364 750.5629 14.60899 -25.12976      21.16436 
1 1 1 -10 2  2  o 1493.458 15.21831 525.1093       10.69125  521.1569       12.35903  536.8609       21.31105  1487.574 17.66187 1507.943 30.04350 -20.36890      34.85044 
1 1 1 -10 2  3  o 469.1466 9.393347 51.78724       2.072995  50.51106       2.876106  53.16702       2.990558  463.2436 13.19855 475.2617 13.37673 -12.01813      18.79198 
1 1 1 -10 2  4  o 1291.228 13.27136 392.4570       8.060980  413.0026       11.88049  374.9291       10.97336  1324.033 19.07508 1261.591 18.49063 62.44214       26.56618 
1 1 1 -10 2  5  o 583.9956 8.289000 80.24230       2.277094  79.87502       3.136747  80.65149       3.310901  582.5695 11.44623 585.3750 12.02383 -2.805481      16.60086 
1 1 1 -10 2  6  o 957.6152 10.57761 215.8152       4.764837  212.0623       6.582486  219.9463       6.906154  948.9840 14.74558 966.4288 15.19137 -17.44482      21.17097 
1 1 1 -10 2  7  o 497.2078 9.561511 58.17872       2.236320  57.52081       3.837193  58.51713       2.752003  494.1082 16.50906 498.5795 11.73398 -4.471313      20.25426 
1 1 1 -10 2  8  o 436.1790 10.57576 44.78712       2.169930  43.38506       2.542855  48.54340       4.162149  429.2181 12.59431 453.6203 19.50544 -24.40222      23.21807 
1 1 1 -10 2  9  o 315.8566 10.06599 23.48856       1.495601  23.00026       2.132458  23.96128       2.098159  312.3868 14.51171 318.8698 13.98800 -6.483032      20.15574 
1 1 1 -10 2  10 o 243.3844 12.83037 13.99613       1.463740  14.84461       2.132373  13.24008       2.012875  250.1113 18.25024 236.1305 18.26357 13.98079       25.81916 
1 1 1 -10 2  11 o 124.2052 26.08041 3.788797       1.475271  1.428686       1.997660  6.620096       2.188004  90.79404 34.26126 164.6606 29.32302 -73.86653      45.09627 
1 1 1 -10 2  12 f 277.4961 15.96550 18.20726       2.075264  17.28894       3.468054  18.71952       2.590190  268.9000 27.81966 281.0053 19.72001 -12.10526      34.10004 
1 1 1 -10 2  13 o 1031.866 12.93707 250.6804       6.279551  242.6979       8.663545  259.5162       9.114887  1014.814 18.14847 1049.350 18.46552 -34.53687      25.89097 
1 1 1 -10 2  14 o 772.9581 12.24477 140.6351       4.452211  147.6511       6.595527  134.7617       6.034558  791.6638 17.71085 756.3717 16.96059 35.29205       24.52215 
1 1 1 -10 2  15 o 1061.930 15.94906 265.5812       7.967103  281.8669       14.77326  258.9023       9.460782  1092.405 28.74903 1048.187 19.18753 44.21875       34.56397 
1 1 1 -10 2  16 o 201.3375 32.84766 9.834868       3.003703  6.398838       3.485504  19.75030       5.920970  161.5809 44.46029 284.7077 45.76046 -123.1268      63.80232 
1 1 1 -10 2  17 o 201.2069 27.90659 9.747380       2.570191  7.438549       3.706724  11.88532       3.566906  173.5591 45.01928 221.2431 35.47152 -47.68404      57.31461 
1 1 1 -10 2  18 o 1013.273 17.32856 241.9884       8.259584  248.7358       10.00582  227.5565       14.63338  1026.845 20.71469 980.2009 31.73659 46.64429       37.89867 
1 1 1 -10 2  19 f 127.0252 43.01411 3.585048       3.059656  8.641499       5.191765  0.8944268      3.787202  187.6823 55.15559 109.8396 45.29711 77.84271       71.37204 
1 1 1 -10 2  20 o 423.4037 17.89321 42.29262       3.563791  41.39636       5.107308  43.14312       4.975210  417.3748 26.14530 426.3191 24.91734 -8.944305      36.11718 
1 1 1 -10 2  21 o 199.0253 32.62730 9.667961       2.948751  11.97611       4.336176  7.682296       4.021866  219.6192 43.51119 175.5175 47.53797 44.10170       64.44441 
1 1 1 -10 2  22 o 199.1599 38.61183 9.837445       3.486781  15.03270       6.713971  7.918780       4.080146  242.1028 59.40023 177.5280 47.79693 64.57477       76.24260 
1 1 1 -10 2  23 o 151.5459 45.89835 5.674908       3.553746  6.136154       4.217268  4.545185       6.600108  158.4678 50.33640 159.1210 61.70656 -0.6532135     79.63324 
1 1 1 -10 2  24 o 689.5565 16.59464 112.5668       5.382783  103.5689       7.485613  122.2013       7.745867  659.0350 24.14624 716.3245 22.98746 -57.28943      33.33863 
1 1 1 -10 2  25 o 756.9439 16.68956 135.8779       5.942618  135.3778       8.413615  136.3757       8.394680  752.3770 23.77266 755.2197 23.62988 -2.842712      33.51881 
1 1 1 -10 2  26 o 109.3646 43.98814 1.709087       3.467320  1.145957       5.822904  2.018452       4.315898  128.3820 54.73738 120.1559 48.81238 8.226158       73.34051 
1 1 1 -10 2  27 o 670.0935 17.12262 107.0117       5.397280  118.8957       8.130407  97.64835       7.216814  701.4238 24.64124 636.0222 24.12148 65.40161       34.48241 
1 1 1 -10 2  28 o 320.3252 28.79322 25.39498       4.292259  28.79905       8.197491  24.10919       5.038097  320.7253 56.39345 308.2332 35.38869 12.49210       66.57763 
1 1 1 -10 2  29 o 271.5112 33.90662 18.81532       4.236132  15.52837       5.040117  26.72414       7.818078  238.2952 46.63283 305.2244 56.53367 -66.92920      73.28490 
1 1 1 -10 2  30 o 145.1048 43.19769 5.766021       3.167857  -0.6621042     4.470746  12.24780       4.489365  101.0062 45.32412 209.3931 46.75957 -108.3868      65.12091 
1 1 1 -10 2  31 o 316.4626 36.32410 26.30335       5.309397  23.10048       7.912298  28.92688       7.161030  268.8316 63.56781 318.9541 49.31988 -50.12247      80.45693 
1 1 1 -10 2  32 o 60.61090 29.90398 -5.855091      3.071650  -10.10854      4.365115  -1.683074      4.323126  66.87852 33.42968 92.23379 42.59162 -25.35526      54.14415 
1 1 1 -10 2  33 o 181.1892 44.70590 9.757726       3.786933  10.61831       6.772040  9.366176       4.567897  169.8119 63.28044 170.6176 52.11802 -0.8057404     81.97989 
1 1 1 -10 2  34 o 84.16271 38.89099 -1.117307      3.613590  8.537457       7.062857  -4.540771      4.205740  149.0507 61.69685 77.17599 37.40154 71.87469       72.14829 
1 1 1 -10 2  35 o 161.4512 46.85168 8.779836       3.767270  6.768728       5.304600  10.82640       5.351155  134.2993 54.27052 164.5030 56.85403 -30.20370      78.59815 
1 1 1 -10 2  36 o 95.42275 45.23642 -0.2058264     5.442796  -0.2058264     5.442796  0.000000       0.000000  95.42275 45.23642 ?        ?        0.000000       45.23642 
1 1 1 -10 4  1  o 505.1271 10.11799 60.03916       2.404166  62.07490       3.751733  58.62072       3.131665  513.4639 15.53291 499.0424 13.34039 14.42157       20.47528 
1 1 1 -10 4  2  o 1027.342 13.26622 248.4337       6.411081  244.7217       7.917994  255.4994       10.92429  1019.418 16.51177 1041.102 22.30647 -21.68378      27.75278 
1 1 1 -10 4  3  o 484.7671 13.17477 55.31658       3.004314  55.31658       3.004314  0.000000       0.000000  484.7671 13.17477 ?        ?        0.000000       13.17477 
1 1 1 -10 4  4  o 698.8099 9.608475 114.9093       3.158514  119.5483       4.375216  109.8605       4.564415  712.6388 13.05151 683.1009 14.20466 29.53790       19.29027 
1 1 1 -10 4  5  o 214.0975 10.13925 10.78703       1.021144  11.56355       1.291140  9.490088       1.668631  221.2882 12.45418 199.8974 17.93616 21.39084       21.83604 
1 1 1 -10 4  6  o 1018.915 11.10911 244.3699       5.324593  245.3086       7.447604  243.3885       7.615422  1020.498 15.51440 1016.456 15.92708 4.042603       22.23440 
1 1 1 -10 4  7  o 400.6062 9.702120 37.77342       1.828326  41.37931       3.115902  35.87999       2.257885  419.0429 15.80724 390.3518 12.29635 28.69107       20.02671 
1 1 1 -10 4  8  o 136.3258 15.36855 4.436223       0.9683567 6.889714       1.453429  2.477770       1.298548  169.8831 18.48594 100.5721 26.91679 69.31101       32.65339 
1 1 1 -10 4  9  o 364.2715 12.35198 31.26025       2.116562  30.80049       2.450669  32.60999       4.199009  361.4772 14.41234 370.4234 24.23144 -8.946198      28.19358 
1 1 1 -10 4  10 o 399.2148 10.25808 37.52464       1.926381  42.81220       2.995656  33.79639       2.515458  426.1596 14.94343 378.6833 14.12120 47.47623       20.56002 
1 1 1 -10 4  11 o 553.6088 10.51336 72.15275       2.737877  71.38508       3.836024  72.94986       3.908890  550.4015 14.81605 556.3929 14.93491 -5.991394      21.03727 
1 1 1 -10 4  12 o 595.7803 13.89137 83.58952       3.893146  80.82225       4.602712  90.54697       7.298176  585.6730 16.70665 619.2127 25.05562 -33.53967      30.11472 
1 1 1 -10 4  13 o 1476.355 18.21772 513.5652       12.65185  529.1320       22.68815  506.5399       15.24168  1495.723 32.24622 1465.605 22.10786 30.11755       39.09701 
1 1 1 -10 4  14 o 1539.339 16.52120 558.0876       11.96314  586.6089       17.90991  535.1104       16.07527  1576.959 24.14370 1506.406 22.68543 70.55322       33.12925 
1 1 1 -10 4  15 o 929.4680 13.21407 203.3735       5.777506  209.9206       8.539739  197.8474       7.845581  943.8413 19.23429 916.3880 18.20021 27.45331       26.48029 
1 1 1 -10 4  16 o 290.8864 18.05319 20.01414       2.458084  21.83499       3.667894  18.52967       3.311824  303.0168 25.98378 279.0224 25.51485 23.99445       36.41653 
1 1 1 -10 4  17 o 650.4283 16.32362 99.66973       4.994421  104.8539       6.090916  89.03092       8.725489  666.8987 19.41572 613.4929 30.23507 53.40582       35.93229 
1 1 1 -10 4  18 o 753.0695 15.65661 133.6198       5.546283  138.4511       7.313634  127.0809       8.508534  766.1067 20.29433 733.4614 24.66086 32.64532       31.93772 
1 1 1 -10 4  19 o 1251.364 15.89693 369.0775       9.357640  370.9789       13.37943  367.2568       13.09263  1253.221 22.69555 1247.006 22.31974 6.215454       31.83173 
1 1 1 -10 4  20 o 641.9396 17.36394 97.21206       5.243385  92.53865       9.041770  99.58002       6.436107  624.3336 30.78701 649.2548 21.07360 -24.92126      37.30867 
1 1 1 -10 4  21 o 403.6466 21.59642 38.64622       4.085782  35.67182       7.366689  39.96769       4.910221  383.3600 41.51357 409.8207 25.59869 -26.46072      48.77161 
1 1 1 -10 4  22 f 81.69807 36.35235 -0.9950317     2.811897  -5.475807      4.250560  2.491850       3.749628  82.36727 39.30996 121.3885 46.66537 -39.02127      61.01582 
1 1 1 -10 4  23 o 324.5698 21.77184 25.11738       3.304832  29.76125       4.900946  21.24484       4.475458  351.4300 29.93157 295.7595 32.71630 55.67047       44.34248 
1 1 1 -10 4  24 o 266.9693 29.88304 17.33296       3.688433  12.43189       4.658799  25.56481       6.037774  220.3930 46.40437 320.8128 40.94238 -100.4199      61.88412 
1 1 1 -10 4  25 o 253.3351 27.68101 15.62119       3.245046  15.98884       4.801546  15.31209       4.402723  251.0630 42.15020 246.7389 39.24723 4.324097       57.59327 
1 1 1 -10 4  26 o 356.1072 21.81367 30.47490       3.636474  27.46663       5.175933  33.40725       5.110199  333.2262 33.47278 369.6671 29.63634 -36.44089      44.70727 
1 1 1 -10 4  27 o 119.2817 44.62898 3.039720       3.374958  4.845423       6.295466  2.311472       3.998013  151.3179 59.79504 118.1390 47.33425 33.17891       76.26257 
1 1 1 -10 4  28 o 206.3068 33.69762 10.86049       3.157338  9.242720       4.436979  12.52000       4.493865  182.5571 50.13450 215.3752 45.76763 -32.81802      67.88331 
1 1 1 -10 4  29 o 146.5059 41.79831 5.786559       3.022082  3.033689       4.135118  8.942620       4.427595  122.4867 48.44250 177.7656 50.54997 -55.27897      70.01411 
1 1 1 -10 4  30 o 69.18922 33.35827 -4.301768      3.243152  -3.184365      4.222281  -5.909632      5.064853  86.63067 40.69212 86.77976 41.80205 -0.1490936     58.33747 
1 1 1 -10 4  31 o 109.2514 42.70765 2.530818       3.181003  -0.7871715     4.424126  6.082076       4.577002  98.71001 44.61830 146.4172 52.41522 -47.70715      68.83421 
1 1 1 -10 4  32 o 161.1727 42.13046 7.407132       3.229932  7.625159       4.732759  7.217055       4.418993  157.0715 53.49580 154.0248 51.69582 3.046753       74.39259 
1 1 1 -10 4  33 o 101.2742 42.52386 1.719656       3.425970  0.7440547      5.635330  2.291637       4.314936  111.5576 50.39751 111.3997 47.29833 0.1579437      69.11615 
1 1 1 -10 4  34 o 98.08610 41.84670 1.604739       3.407140  7.092747       6.121448  -0.8585048     4.101100  141.2334 57.83897 89.96482 41.52269 51.26862       71.20029 
1 1 1 -10 4  35 o 186.3264 60.68126 14.63139       6.102017  14.63139       6.102017  0.000000       0.000000  186.3264 60.68126 ?        ?        0.000000       60.68126 
1 1 1 -10 4  36 o 94.75764 44.80825 -0.2965814E-01 5.276418  -0.2965814E-01 5.276418  0.000000       0.000000  94.75764 44.80825 ?        ?        0.000000       44.80825 
1 1 1 -10 6  1  o 887.9354 10.98695 185.5540       4.589101  172.6508       6.319745  199.9476       6.674734  856.2313 15.69059 921.4567 15.39890 -65.22546      21.98456 
1 1 1 -10 6  2  o 415.3898 8.885216 40.60071       1.736173  39.09433       2.521538  41.95862       2.394059  407.5089 13.15404 422.2046 12.05432 -14.69568      17.84195 
1 1 1 -10 6  3  o 649.7111 9.530991 99.33564       2.912914  94.70580       3.393181  112.3068       5.679540  634.3199 11.37180 690.4059 17.48797 -56.08600      20.86018 
1 1 1 -10 6  4  o 803.3131 10.57165 151.8843       3.994817  156.4658       5.539296  146.9191       5.766605  815.0914 14.44704 789.7541 15.52240 25.33734       21.20524 
1 1 1 -10 6  5  o 148.5820 15.25028 5.255750       1.050778  6.448334       1.248262  2.355529       1.946601  164.6129 16.33603 102.6748 34.31165 61.93810       38.00204 
1 1 1 -10 6  6  o 875.4509 15.92249 180.6508       6.557106  0.000000       0.000000  180.6508       6.557106  ?        ?        875.4509 15.92249 0.000000       15.92249 
1 1 1 -10 6  7  o 961.7927 11.02519 217.8306       4.988118  225.8186       7.147992  210.2482       6.964130  978.6969 15.52625 944.3315 15.67737 34.36542       22.06455 
1 1 1 -10 6  8  o 387.4868 9.131948 35.34475       1.664523  36.51998       2.344713  34.15074       2.363379  393.7209 12.65995 380.7083 13.19689 13.01263       18.28749 
1 1 1 -10 6  9  o 757.6448 12.26935 135.2029       4.372768  133.2034       5.107021  140.6956       8.464513  751.8165 14.44064 771.4552 23.32501 -19.63867      27.43335 
1 1 1 -10 6  10 o 412.6260 10.81223 40.08244       2.098655  42.61989       2.950796  37.48514       2.985401  425.3172 14.74881 398.8184 15.91322 26.49884       21.69696 
1 1 1 -10 6  11 o 1105.109 12.74544 287.5306       6.625662  299.7773       9.775715  277.1247       9.011120  1127.785 18.42693 1084.429 17.66478 43.35547       25.52638 
1 1 1 -10 6  12 o 204.4019 16.53557 9.904957       1.576293  10.03733       2.616527  9.829545       1.974893  204.2895 27.96159 203.1241 20.97044 1.165375       34.95153 
1 1 1 -10 6  13 o 1907.759 19.12372 857.5391       17.16189  876.4588       24.97500  840.6130       23.62258  1926.860 27.55409 1887.278 26.60860 39.58142       38.30465 
1 1 1 -10 6  14 o 588.9944 13.75386 81.66984       3.810703  79.19144       6.866260  82.77300       4.580957  579.3610 25.19426 592.8428 16.42659 -13.48181      30.07630 
1 1 1 -10 6  15 o 814.0762 12.67838 156.0038       4.855101  153.0492       6.963180  158.7993       6.773066  805.9576 18.36649 821.0219 17.53724 -15.06433      25.39454 
1 1 1 -10 6  16 o 873.0923 13.20026 179.4739       5.421404  184.7337       7.967154  174.9382       7.398442  885.2987 19.13128 861.5899 18.25452 23.70880       26.44302 
1 1 1 -10 6  17 o 539.9877 15.45357 68.68960       3.925384  67.91145       5.180805  69.73841       6.014732  536.5980 20.52480 543.5317 23.52459 -6.933716      31.21977 
1 1 1 -10 6  18 o 309.6906 19.74938 22.71549       2.862075  23.13241       4.275387  22.37694       3.852702  311.2073 29.55980 306.4324 27.00371 4.774933       40.03726 
1 1 1 -10 6  19 o 897.7684 14.45031 189.9212       6.102542  188.6123       8.848703  191.1085       8.427304  893.7411 21.04741 899.8214 19.90962 -6.080200      28.97217 
1 1 1 -10 6  20 o 449.1237 16.87140 47.58736       3.564401  45.52639       5.305455  49.28293       4.812213  437.6430 25.88625 456.5260 22.40836 -18.88300      34.23788 
1 1 1 -10 6  21 o 120.1148 41.45465 3.168780       2.844447  0.2252041E-01  4.540393  5.201310       3.649343  112.5956 48.17884 147.5041 46.82148 -34.90855      67.18222 
1 1 1 -10 6  22 o 578.6318 16.03485 79.09097       4.364520  74.22898       6.206354  83.84788       6.138925  559.1566 23.59575 594.6564 21.94608 -35.49976      32.22405 
1 1 1 -10 6  23 o 244.0940 27.89985 14.42189       3.145978  14.59231       4.670240  14.28032       4.256638  241.2274 42.72055 239.7263 39.09454 1.501114       57.90879 
1 1 1 -10 6  24 o 320.5858 28.98652 24.90077       4.324009  22.19646       5.030581  32.55054       8.460854  299.9950 36.39296 356.4918 51.98341 -56.49683      63.45646 
1 1 1 -10 6  25 o 485.1357 18.25059 55.96364       4.164946  49.22317       5.814981  63.06412       5.968256  451.0943 27.53572 512.6643 24.74828 -61.56998      37.02287 
1 1 1 -10 6  26 o 148.3203 41.22232 5.704604       2.979643  7.520680       4.541107  4.331608       3.948474  168.4007 52.05259 135.9982 48.68366 32.40250       71.27110 
1 1 1 -10 6  27 f 261.4967 31.28131 17.05069       3.771494  19.19441       7.049787  16.19114       4.464020  260.6486 58.88641 250.8860 39.09940 9.762604       70.68502 
1 1 1 -10 6  28 o 82.57503 37.13647 -0.9864112     3.019949  -2.231646      4.368122  0.1537696      4.179805  93.71008 43.10688 103.9742 45.35651 -10.26410      62.57328 
1 1 1 -10 6  29 o 200.1012 35.48318 10.41086       3.217667  9.273402       4.460711  11.64470       4.645873  180.8475 50.49955 203.8012 49.05261 -22.95374      70.40144 
1 1 1 -10 6  30 o 224.4060 41.73686 13.62492       4.243632  14.67839       4.936460  10.64209       8.306479  228.9451 47.39783 182.3168 69.60590 46.62830       84.21127 
1 1 1 -10 6  31 o 316.3635 25.39108 24.95173       3.746815  25.48997       5.344668  24.43157       5.254087  309.9670 37.41176 303.1957 37.64911 6.771332       53.07632 
1 1 1 -10 6  32 o 259.4943 33.23569 17.76014       3.963744  21.68847       6.848911  15.78174       4.860439  261.5775 57.25053 233.5849 45.87152 27.99266       73.36089 
1 1 1 -10 6  33 f 246.0064 41.11612 17.29144       4.590109  0.000000       0.000000  17.29144       4.590109  ?        ?        246.0064 41.11612 0.000000       41.11612 
1 1 1 -10 6  34 o 248.2462 34.19508 17.09605       3.887176  19.76814       6.413751  15.54470       4.886996  234.3768 58.38939 220.3078 48.47264 14.06900       75.88754 
1 1 1 -10 6  35 o 182.0207 48.03005 11.35297       4.172250  13.54637       5.829080  9.048752       5.974514  179.1438 59.35577 144.7373 57.90868 34.40648       82.92480 
1 1 1 -10 8  1  o 391.5869 9.767611 36.09279       1.799226  33.44435       2.782602  37.99564       2.358619  376.7231 15.70217 401.6816 12.48264 -24.95853      20.05927 
1 1 1 -10 8  2  o 715.0824 9.747243 120.3622       3.278741  114.3017       4.516949  127.1117       4.766815  696.5756 13.78503 734.5715 13.79510 -37.99591      19.50210 
1 1 1 -10 8  3  o 650.3540 9.800385 99.56361       2.998212  97.27069       3.542721  105.3508       5.628294  642.7067 11.71803 668.3384 17.90239 -25.63165      21.39645 
1 1 1 -10 8  4  o 356.7222 9.684063 29.95535       1.625013  30.10477       1.926466  29.58680       3.025550  357.5492 11.45397 353.6647 18.24845 3.884460       21.54529 
1 1 1 -10 8  5  o 308.1598 14.41471 22.37975       2.089542  19.43817       3.076721  24.89807       2.846774  285.8345 23.07937 324.2772 18.74230 -38.44266      29.73098 
1 1 1 -10 8  6  o 436.8074 14.43321 44.96585       2.965667  42.71701       3.315997  53.95363       6.629186  425.6106 16.56275 476.0354 29.75333 -50.42477      34.05268 
1 1 1 -10 8  7  o 60.78769 23.76192 0.5179596      0.9847049 0.6526014      1.104718  -0.2678774E-02 2.172349  65.48851 25.28734 78.60153 33.47109 -13.11302      41.94954 
1 1 1 -10 8  8  o 810.7819 10.48202 154.7447       3.997774  163.9113       5.729434  146.0473       5.580904  834.1179 14.60209 787.3113 15.06915 46.80658       20.98333 
1 1 1 -10 8  9  f 591.5685 9.803282 82.35914       2.728009  89.97292       3.999101  75.73260       3.730830  618.1276 13.75355 567.0938 13.98561 51.03381       19.61523 
1 1 1 -10 8  10 o 301.6982 14.77688 21.43300       2.097127  21.93946       2.360178  19.53329       4.571028  304.7517 16.52555 285.2024 34.79274 19.54926       38.51790 
1 1 1 -10 8  11 o 1246.220 13.68661 365.6066       8.023427  371.2040       11.53887  360.3668       11.16409  1255.145 19.54339 1236.728 19.19021 18.41760       27.38993 
1 1 1 -10 8  12 o 529.5352 10.92687 65.98804       2.721822  66.85507       4.106967  65.30897       3.634640  532.8217 16.38589 526.6885 14.67027 6.133240       21.99351 
1 1 1 -10 8  13 o 242.8731 17.15048 13.96198       1.946813  15.11593       4.295139  13.66361       2.184048  249.9480 37.70305 240.0231 19.51263 9.924973       42.45306 
1 1 1 -10 8  14 o 1131.462 15.93587 301.4913       8.481739  318.0738       15.92997  294.9304       10.02015  1160.416 29.18312 1118.777 19.03976 41.63904       34.84490 
1 1 1 -10 8  15 o 1243.423 14.73090 364.0852       8.616233  366.2390       12.42293  362.0887       11.96060  1246.290 21.19023 1239.305 20.51661 6.984619       29.49503 
1 1 1 -10 8  16 o 703.0101 12.73123 116.3599       4.210185  124.9806       6.517293  110.1857       5.515510  728.1312 19.02779 683.8223 17.14640 44.30890       25.61359 
1 1 1 -10 8  17 o 1333.562 15.80034 419.0240       9.911720  413.5723       13.99842  424.5052       14.03623  1323.653 22.48204 1341.084 22.24975 -17.43103      31.63058 
1 1 1 -10 8  18 o 641.1950 17.62869 96.94774       5.317158  107.6748       6.579544  76.75387       9.027470  675.4080 20.70905 567.5579 33.96931 107.8502       39.78416 
1 1 1 -10 8  19 o 73.85897 33.12529 -1.087899      2.384756  0.6407971      3.994652  -2.045155      2.972581  110.3898 46.10420 78.24752 35.83348 32.14230       58.39209 
1 1 1 -10 8  20 o 168.5263 37.60567 7.053939       2.905535  2.320155       5.662999  8.745330       3.385044  139.0335 56.11239 187.6616 39.59113 -48.62813      68.67356 
1 1 1 -10 8  21 o 338.8923 22.12971 27.32697       3.508454  31.12366       7.048300  26.07636       4.045226  356.4704 42.89416 330.2299 26.25780 26.24048       50.29295 
1 1 1 -10 8  22 o 706.6968 15.20503 117.9829       5.054636  130.7854       7.756250  108.5321       6.664084  742.2027 22.21570 676.4691 20.94224 65.73364       30.53055 
1 1 1 -10 8  23 o 366.2937 22.07905 32.03511       3.786558  30.87297       5.141456  33.41261       5.597575  357.0132 30.92019 370.9921 32.40002 -13.97894      44.78637 
1 1 1 -10 8  24 o 691.5901 16.05191 113.3459       5.222095  114.4173       7.596296  112.3859       7.190698  691.9675 23.33710 686.2778 22.27419 5.689758       32.26080 
1 1 1 -10 8  25 o 525.0707 17.89807 65.58879       4.420722  63.29860       6.253465  67.87662       6.250225  511.9719 26.05204 531.2874 25.00903 -19.31546      36.11316 
1 1 1 -10 8  26 o 103.2726 42.17081 1.346177       3.242370  1.314804       5.859132  1.360025       3.892756  128.3271 54.81545 110.4067 45.76072 17.92046       71.40572 
1 1 1 -10 8  27 o 293.7806 24.87326 21.07699       3.405082  22.08285       4.951918  20.17481       4.689793  294.7478 36.49548 281.7225 36.22800 13.02533       51.42361 
1 1 1 -10 8  28 o 219.8018 31.79617 12.23527       3.192047  11.61979       4.594943  12.80934       4.437638  205.1845 48.39197 217.9075 44.78921 -12.72299      65.93827 
1 1 1 -10 8  29 o 111.9153 41.55717 2.834251       2.915488  11.50460       4.410582  -3.894272      3.885416  203.6140 47.00166 79.99137 38.00828 123.6226       60.44655 
1 1 1 -10 8  30 o 383.0689 21.84281 35.85236       3.919690  32.82163       5.452952  39.09257       5.638249  358.3116 32.71277 393.0360 30.74082 -34.72440      44.89013 
1 1 1 -10 8  31 o 113.4888 45.74734 2.608345       3.759155  1.556307       4.578015  4.785969       6.586475  112.3100 48.22577 141.5757 59.17101 -29.26578      76.33435 
1 1 1 -10 8  32 o 202.7512 39.22353 11.43445       3.605662  20.19322       7.061511  8.345516       4.193538  245.1519 61.37434 164.6637 49.85633 80.48814       79.07253 
1 1 1 -10 8  33 o 105.9799 43.81626 2.344840       3.556148  -8.638526      5.999069  8.295224       4.415589  84.45228 41.68967 158.7371 51.61555 -74.28478      66.34903 
1 1 1 -10 8  34 o 124.9981 47.68432 4.949719       3.896352  3.516647       5.143937  6.878716       5.967982  117.2839 50.74290 137.3310 56.76883 -20.04717      76.14159 
1 1 1 -10 8  35 o 157.9912 49.73000 9.145700       4.123775  9.901903       5.842121  8.394769       5.821728  148.9825 57.97720 139.2779 56.64867 9.704620       81.05817 
1 1 1 -10 10 1  o 324.5292 10.24658 24.79234       1.564235  22.11784       2.316320  27.03460       2.120901  305.9072 16.15407 338.7879 13.30832 -32.88065      20.93001 
1 1 1 -10 10 2  o 918.0030 10.98398 198.4036       4.743217  187.2514       6.346050  212.5198       7.139718  891.4407 15.13358 949.5838 15.98374 -58.14313      22.01148 
1 1 1 -10 10 3  o 89.42863 22.94032 1.960605       0.9697420 1.850568       1.193678  2.174199       1.663073  88.14818 26.57943 97.45349 31.67628 -9.305313      41.35036 
1 1 1 -10 10 4  o 114.4725 21.58114 3.193805       1.119483  2.842247       1.262335  4.488704       2.422668  107.5312 25.36642 135.3180 36.99818 -27.78687      44.85889 
1 1 1 -10 10 5  o 370.8315 13.46060 32.38375       2.348066  30.08689       2.926562  36.53389       3.933888  357.2910 17.41271 392.9345 21.36327 -35.64352      27.56069 
1 1 1 -10 10 6  o 753.5574 13.83005 133.7110       4.902409  133.7110       4.902409  0.000000       0.000000  753.5574 13.83005 ?        ?        0.000000       13.83005 
1 1 1 -10 10 7  o 871.6541 11.36695 178.8213       4.660766  176.6237       5.909491  182.4378       7.581083  866.0992 14.50484 879.9533 18.31481 -13.85413      23.36285 
1 1 1 -10 10 8  o 812.5518 11.06549 155.3788       4.229519  154.8883       5.482439  156.0998       6.647370  811.1082 14.36897 814.0926 17.35828 -2.984436      22.53391 
1 1 1 -10 10 9  o 986.6035 13.20398 229.1168       6.127972  232.9580       7.620426  222.0868       10.30907  994.6413 16.28709 970.6360 22.57843 24.00525       27.83981 
1 1 1 -10 10 10 o 1073.645 14.71359 271.3687       7.431019  267.8055       8.655059  281.3615       14.49424  1066.389 17.25382 1091.890 28.21937 -25.50159      33.07608 
1 1 1 -10 10 11 o 1139.978 13.17200 305.8841       7.063458  298.7458       9.777772  313.6753       10.21505  1126.192 18.45687 1153.956 18.81837 -27.76343      26.35881 
1 1 1 -10 10 12 o 788.4817 12.96488 146.3374       4.808718  151.1296       8.344297  143.9544       5.884047  800.7000 22.15392 781.8792 15.99805 18.82080       27.32644 
1 1 1 -10 10 13 o 271.2531 16.47274 17.39264       2.091938  17.02140       4.203396  17.51486       2.411840  266.0637 34.38985 271.9860 18.96971 -5.922272      39.27483 
1 1 1 -10 10 14 o 361.3627 13.23465 30.74274       2.249702  33.72509       3.802630  29.13679       2.790436  377.5802 21.49839 351.6924 16.86708 25.88785       27.32543 
1 1 1 -10 10 15 o 292.4807 19.28869 20.25333       2.638908  0.000000       0.000000  20.25333       2.638908  ?        ?        292.4807 19.28869 0.000000       19.28869 
1 1 1 -10 10 16 f 945.9724 14.91335 210.7978       6.636255  210.4969       8.742519  211.2069       10.19394  944.7584 19.67191 945.8989 22.91017 -1.140503      30.19702 
1 1 1 -10 10 17 o 640.4754 13.07102 96.61374       3.938051  101.9333       6.177278  92.97160       5.111395  657.2706 19.97945 627.9639 17.30356 29.30664       26.43089 
1 1 1 -10 10 18 o 971.3769 14.04104 222.3437       6.415883  225.8083       9.530415  219.4721       8.676447  977.8438 20.71920 964.3153 19.12729 13.52850       28.19820 
1 1 1 -10 10 19 o 570.3510 16.19425 76.74190       4.344824  81.42094       8.365675  75.01359       5.084321  584.4667 30.53388 563.5507 19.17921 20.91608       36.05773 
1 1 1 -10 10 20 o 992.1740 14.69903 232.2523       6.860341  239.6906       10.19442  226.0957       9.274644  1006.153 21.53918 977.6019 20.16814 28.55151       29.50746 
1 1 1 -10 10 21 o 510.7278 15.67872 61.61964       3.766773  61.63522       5.771216  61.60808       4.971775  509.2812 24.09020 509.8476 20.73012 -0.5663757     31.78168 
1 1 1 -10 10 22 o 377.8462 23.16950 34.09946       4.098256  34.57194       7.373216  33.88823       4.929961  373.8244 42.69540 375.3214 28.12813 -1.496948      51.12816 
1 1 1 -10 10 23 o 391.2993 18.30217 36.33758       3.368844  42.51810       5.381213  32.35405       4.320179  420.1182 27.37910 366.9510 25.18024 53.16724       37.19758 
1 1 1 -10 10 24 o 347.6707 20.16295 28.90022       3.283390  35.02092       5.241426  24.94711       4.212297  379.4257 29.60076 320.3864 28.23836 59.03922       40.90978 
1 1 1 -10 10 25 o 350.1668 27.27550 29.84743       4.457356  25.05416       5.183039  43.46017       8.734561  316.9904 35.36179 411.1820 45.94373 -94.19159      57.97657 
1 1 1 -10 10 26 o 135.3357 41.56642 4.717050       2.901012  6.436734       4.524558  3.516575       3.780320  156.6687 52.31099 126.5595 47.25651 30.10920       70.49551 
1 1 1 -10 10 27 o 459.3335 19.39260 50.62503       4.190188  51.63573       6.161451  49.75539       5.715309  457.7243 28.76229 450.4375 27.09954 7.286835       39.51777 
1 1 1 -10 10 28 f 95.11890 42.14309 -0.4527112     3.740073  3.222355       6.437211  -2.325505      4.595262  139.1393 58.34928 95.64712 44.07772 43.49216       73.12649 
1 1 1 -10 10 29 o 323.0016 23.54730 25.57894       3.553149  23.34513       5.115657  27.66100       4.938830  299.7764 37.06711 330.2940 32.19671 -30.51761      49.09785 
1 1 1 -10 10 30 o 168.3530 40.32804 7.762601       3.151707  7.248844       4.533845  8.243023       4.384289  157.8204 52.35027 167.8214 51.01460 -10.00102      73.09610 
1 1 1 -10 10 31 o 171.6424 43.63710 8.418143       3.531052  3.005351       5.590944  12.00980       4.554304  126.4550 53.76905 201.9393 48.54346 -75.48424      72.44017 
1 1 1 -10 10 32 o 145.8196 59.42730 6.608205       6.422928  6.608205       6.422928  0.000000       0.000000  145.8196 59.42730 ?        ?        0.000000       59.42730 
1 1 1 -10 10 34 f 181.9765 61.90672 14.05767       6.337905  0.000000       0.000000  14.05767       6.337905  ?        ?        181.9765 61.90672 0.000000       61.90672 
1 1 1 -10 12 1  f 642.4213 9.886327 97.11055       2.987612  104.3683       4.477855  91.28773       4.010857  665.8384 14.29657 622.7404 13.69181 43.09802       19.79539 
1 1 1 -10 12 2  o 724.2059 10.13929 123.4121       3.454131  126.3259       4.889633  120.5096       4.880137  732.5484 14.18962 715.4717 14.50008 17.07666       20.28786 
1 1 1 -10 12 3  o 161.2354 15.90644 6.180496       1.190710  6.568157       1.494421  5.506532       1.970451  165.8345 19.53156 150.2285 28.93291 15.60593       34.90839 
1 1 1 -10 12 4  o 1193.146 13.43622 335.0819       7.541193  336.2769       8.789365  331.7480       14.68115  1195.114 15.63432 1185.941 26.31647 9.173096       30.61026 
1 1 1 -10 12 5  o 1043.330 12.39970 256.1827       6.085581  262.2616       7.127720  239.8336       11.68918  1055.525 14.35532 1008.575 24.63807 46.95032       28.51508 
1 1 1 -10 12 6  o 287.6744 11.80309 19.47504       1.597225  19.71034       1.742438  18.23722       3.996414  289.3932 12.79970 276.1768 31.31551 13.21637       33.83036 
1 1 1 -10 12 7  o 967.7571 11.60684 220.3935       5.283843  224.1629       6.003164  207.4316       11.13215  975.9293 13.07653 937.9568 25.23057 37.97253       28.41791 
1 1 1 -10 12 8  o 1086.483 14.81788 277.8811       7.573179  273.3894       8.507063  295.0357       16.62513  1077.535 16.78336 1117.810 31.61752 -40.27502      35.79593 
1 1 1 -10 12 9  o 1064.664 12.81165 266.7799       6.416335  270.2455       8.678344  262.6013       9.529384  1071.271 17.22140 1055.858 19.18624 15.41235       25.78155 
1 1 1 -10 12 10 o 557.3938 11.10815 73.11286       2.912549  71.18141       3.741509  76.08322       4.639914  549.8808 14.46468 568.3868 17.35388 -18.50604      22.59168 
1 1 1 -10 12 11 o 592.6445 13.56111 82.67942       3.780585  83.27092       4.295885  80.64805       7.961056  594.6893 15.35653 584.4348 28.95778 10.25452       32.77768 
1 1 1 -10 12 12 o 500.1105 12.32528 58.87126       2.899560  62.48514       5.074863  57.11972       3.533027  514.8600 20.95395 492.5147 15.24960 22.34525       25.91560 
1 1 1 -10 12 13 o 999.6096 12.81111 235.2313       6.024019  241.3567       8.851687  229.9469       8.221657  1012.032 18.59356 987.9107 17.69181 24.12128       25.66556 
1 1 1 -10 12 14 o 444.4854 12.21031 46.51084       2.553016  48.29480       4.092035  45.37386       3.266793  452.6218 19.21917 438.8817 15.82358 13.74008       24.89502 
1 1 1 -10 12 15 o 1160.460 19.25604 317.5583       10.51154  296.2842       15.51425  335.6124       14.29199  1118.975 29.47415 1191.833 25.49224 -72.85840      38.96896 
1 1 1 -10 12 16 o 847.9057 13.05500 169.3286       5.207075  175.5801       7.902638  164.5322       6.922207  862.6915 19.47365 835.3403 17.61618 27.35114       26.25934 
1 1 1 -10 12 17 o 720.9267 13.06245 122.4407       4.429808  124.6407       6.753701  120.7796       5.868534  726.6168 19.75909 715.5668 17.43453 11.04999       26.35118 
1 1 1 -10 12 18 o 1093.390 14.69847 281.8834       7.559912  291.1881       11.30593  274.3587       10.16717  1109.677 21.65910 1077.544 20.05837 32.13220       29.52042 
1 1 1 -10 12 19 o 266.3989 36.80083 17.31297       4.488538  16.55767       5.681521  18.56718       7.321343  257.1483 48.75319 269.5194 59.35249 -12.37109      76.80880 
1 1 1 -10 12 20 o 428.9565 17.12450 43.49862       3.455418  33.39402       4.898339  53.50773       4.875140  373.2335 28.10596 475.0048 21.81825 -101.7712      35.58062 
1 1 1 -10 12 21 o 540.4128 15.22808 69.02728       3.871152  66.21745       5.972450  71.06300       5.083607  527.3686 24.07515 547.4130 19.74184 -20.04443      31.13443 
1 1 1 -10 12 22 o 197.4628 28.72433 9.546407       2.589900  10.02787       4.373928  9.286465       3.213881  197.1131 47.68985 192.4500 36.84307 4.663071       60.26387 
1 1 1 -10 12 23 o 321.7669 20.01867 24.74325       3.015007  30.32656       5.040046  21.63177       3.762460  352.7872 30.67589 298.7752 27.06436 54.01199       40.90831 
1 1 1 -10 12 24 o 104.3657 38.44393 2.243164       2.485540  -3.473214      4.073368  5.634163       3.137306  86.18641 40.31826 147.8872 42.70917 -61.70075      58.73360 
1 1 1 -10 12 25 o 102.5524 39.17479 1.987571       2.632023  0.4201423E-01  4.238650  3.208553       3.357841  105.5022 45.85332 121.1665 44.67587 -15.66433      64.01922 
1 1 1 -10 12 26 o 133.1887 46.78440 4.343750       3.630533  4.055457       4.161829  5.261594       7.425939  133.2505 49.61745 158.4058 64.14159 -25.15526      81.09276 
1 1 1 -10 12 27 o 211.8071 31.65496 11.33324       3.057171  17.09588       4.596550  6.761911       4.093950  256.6924 39.31962 157.8071 49.53002 98.88536       63.23967 
1 1 1 -10 12 28 o 111.8579 43.55482 2.488698       3.298514  -2.999406      6.034944  4.826631       3.938929  107.4316 49.85969 137.2436 48.67830 -29.81202      69.68189 
1 1 1 -10 12 29 o 130.3638 45.76223 4.414268       3.473351  2.247028       6.433572  5.305809       4.126381  131.4754 56.81576 140.7702 49.83447 -9.294739      75.57450 
1 1 1 -10 12 30 o 116.5977 43.77838 3.269959       3.253109  6.923306       5.854296  1.637952       3.912823  154.2127 58.54060 107.9921 45.40001 46.22057       74.08214 
1 1 1 -10 12 31 o 252.7540 31.90812 16.70748       3.709220  14.31035       6.249771  18.01099       4.608665  206.6807 60.45151 256.0596 39.53490 -49.37883      72.23153 
1 1 1 -10 12 32 o 105.5366 44.76958 1.906338       3.860471  -1.785077      5.102980  6.846017       5.903054  96.84628 45.24710 144.9243 57.70060 -48.07801      73.32571 
1 1 1 -10 12 33 o 101.9232 43.80474 1.829629       3.783140  4.399525       5.181659  -1.104043      5.536264  123.8774 52.17038 99.86729 46.80898 24.01009       70.09158 
1 1 1 -10 14 1  o 533.3089 10.00513 66.91848       2.509982  72.39486       3.663019  62.07123       3.446196  554.6096 14.04050 513.5397 14.26582 41.06995       20.01622 
1 1 1 -10 14 3  o 1066.866 12.23310 267.8469       6.139256  261.8806       8.381073  274.7550       9.018347  1054.666 16.89334 1080.223 17.74778 -25.55750      24.50242 
1 1 1 -10 14 4  o 689.0121 13.76511 111.7344       4.461447  106.7270       5.541799  120.9572       7.520965  673.2557 17.49852 716.4901 22.31486 -43.23431      28.35756 
1 1 1 -10 14 5  o 1032.651 12.55055 250.9560       6.096570  245.4592       6.830079  272.5030       13.52277  1021.195 14.21830 1074.970 26.74239 -53.77472      30.28721 
1 1 1 -10 14 6  o 389.6643 11.33563 35.73006       2.077809  34.15115       2.267604  43.99525       5.188170  380.9344 12.65458 431.1925 25.69503 -50.25806      28.64215 
1 1 1 -10 14 7  o 674.0178 10.46253 106.8987       3.317245  108.2125       3.692138  101.3972       7.555470  678.1136 11.57460 655.8010 24.49176 22.31262       27.08908 
1 1 1 -10 14 8  o 429.4560 10.53554 43.39911       2.128358  42.68033       2.239778  50.08918       6.833156  425.8722 11.18037 459.4101 31.81509 -33.53793      33.72240 
1 1 1 -10 14 9  o 174.1208 19.23272 7.229567       1.548995  8.232551       1.675539  1.331807       4.063039  185.9210 19.44602 116.8793 47.40354 69.04166       51.23713 
1 1 1 -10 14 10 o 928.3052 12.58201 202.8406       5.494270  199.8622       7.071827  207.3762       8.726675  921.2228 16.31915 938.0961 19.77571 -16.87335      25.63969 
1 1 1 -10 14 11 o 136.6008 32.86106 4.590418       2.085835  4.605824       2.252342  4.497622       5.527697  136.8910 34.87830 154.6949 57.26556 -17.80382      67.05102 
1 1 1 -10 14 12 o 374.0465 13.14512 32.94024       2.312914  35.85033       3.357098  30.31079       3.191120  390.0359 18.29743 358.1090 19.01153 31.92688       26.38625 
1 1 1 -10 14 13 o 947.9063 12.68649 211.5552       5.656871  209.7573       7.991458  213.3607       8.008618  943.3702 18.00838 951.4514 17.89376 -8.081238      25.38677 
1 1 1 -10 14 14 o 591.5652 11.89308 82.39408       3.309530  79.96806       4.952228  84.35201       4.448892  582.3950 18.07647 598.3145 15.80713 -15.91949      24.01300 
1 1 1 -10 14 15 o 380.1015 13.30295 34.03232       2.378574  36.41144       3.982290  32.71283       2.965704  392.0840 21.67575 372.4869 16.92573 19.59711       27.50125 
1 1 1 -10 14 16 o 257.3978 18.14685 15.71140       2.183159  21.02557       5.567656  14.74587       2.373214  293.7270 41.44766 249.0398 20.43830 44.68713       46.21291 
1 1 1 -10 14 17 o 1015.885 13.82133 243.2964       6.604860  239.4378       9.575366  246.7986       9.122449  1006.467 20.22491 1022.123 18.97312 -15.65674      27.73133 
1 1 1 -10 14 18 o 310.9085 17.50990 22.90918       2.550433  15.69560       5.357489  25.02299       2.900137  250.5163 47.19410 324.7587 19.06767 -74.24240      50.90048 
1 1 1 -10 14 19 o 394.6812 15.56652 36.79502       2.890064  40.03479       5.013451  35.18259       3.536873  409.2940 26.17656 384.9684 19.59579 24.32553       32.69873 
1 1 1 -10 14 20 o 438.1260 21.85714 45.60337       4.504656  44.77771       5.255555  47.88942       8.745004  432.5169 25.95128 441.0066 42.68891 -8.489655      49.95810 
1 1 1 -10 14 21 o 385.0104 17.31270 35.12752       3.135499  33.11848       4.949305  36.47444       4.052478  370.4077 28.62721 390.7937 22.13562 -20.38599      36.18705 
1 1 1 -10 14 22 o 223.2306 37.82893 12.51354       3.830490  12.07153       4.541615  13.60285       7.129752  216.1974 46.06679 223.4024 64.34567 -7.205017      79.13605 
1 1 1 -10 14 23 o 103.1509 38.80387 2.058463       2.558198  2.423900       7.082451  2.003632       2.743413  145.4376 61.10810 104.5123 39.97803 40.92530       73.02357 
1 1 1 -10 14 24 o 333.3587 21.69131 26.74584       3.382955  23.78716       6.459642  27.86399       3.971076  302.0746 46.98666 339.0036 25.08002 -36.92905      53.26118 
1 1 1 -10 14 25 o 334.3445 20.00966 26.86886       3.132589  33.14694       4.983123  22.76673       4.028035  367.2811 29.08033 304.2928 28.47148 62.98831       40.69755 
1 1 1 -10 14 26 o 150.2291 37.60566 5.899941       2.651353  3.185283       4.187301  7.716726       3.425534  125.8899 49.05804 170.1735 42.82587 -44.28360      65.12102 
1 1 1 -10 14 27 o 150.1220 41.12827 6.012584       2.990225  5.371582       5.838675  6.240488       3.481453  149.8728 58.06091 152.0915 45.28716 -2.218689      73.63420 
1 1 1 -10 14 28 o 291.8844 24.06518 20.92465       3.274767  17.89789       4.942974  23.29241       4.371873  259.0472 42.00224 303.9521 31.01125 -44.90482      52.21001 
1 1 1 -10 14 29 o 166.4058 37.80215 7.454187       2.891724  6.541933       4.472577  8.109436       3.790557  151.6408 52.00216 169.1561 46.29113 -17.51524      69.62106 
1 1 1 -10 14 30 o 60.04160 29.58366 -5.607443      2.972372  -9.393579      5.168885  -3.736860      3.633183  77.50401 38.33992 75.88148 36.25024 1.622528       52.76390 
1 1 1 -10 14 31 o 257.4603 30.11152 17.26919       3.577915  15.53805       5.944752  18.25244       4.480229  217.1963 57.34118 257.6679 38.11326 -40.47166      68.85224 
1 1 1 -10 14 32 o 170.2794 45.63862 8.968541       3.729968  6.557671       4.794064  12.66647       5.937397  141.1754 53.11786 185.2521 59.81983 -44.07669      79.99950 
1 1 1 -10 14 33 o 100.4461 42.30768 2.134648       3.408374  1.600773       4.369463  2.964329       5.447083  102.7629 45.53950 114.6944 50.83551 -11.93150      68.25024 
1 1 1 -10 16 1  o 430.0025 10.77642 43.50830       2.179790  45.45731       2.938690  41.12424       3.250168  439.4568 14.21570 417.9312 16.53224 21.52563       21.80369 
1 1 1 -10 16 2  o 2102.089 20.29449 1040.947       20.06774  1070.804       29.19497  1014.206       27.62982  2130.236 29.13473 2073.358 28.32921 56.87817       40.63713 
1 1 1 -10 16 3  o 863.6362 16.52577 175.6173       6.713696  0.000000       0.000000  175.6173       6.713696  ?        ?        863.6362 16.52577 0.000000       16.52577 
1 1 1 -10 16 4  f 377.9569 11.57666 33.61707       2.058235  33.27111       2.712293  34.08678       3.160387  375.9300 15.33770 380.4511 17.65924 -4.521179      23.39004 
1 1 1 -10 16 5  o 606.3056 11.57452 86.51024       3.301139  84.95388       3.720430  92.27111       7.157845  600.7772 13.16468 625.5653 24.32430 -24.78809      27.65828 
1 1 1 -10 16 6  o 614.8636 11.23416 88.96901       3.249293  87.76505       3.582098  94.56006       7.719281  610.6497 12.47027 633.1280 25.91887 -22.47827      28.76274 
1 1 1 -10 16 7  o 740.1162 12.13406 128.9250       4.224501  128.9250       4.224501  0.000000       0.000000  740.1162 12.13406 ?        ?        0.000000       12.13406 
1 1 1 -10 16 8  o 634.6011 10.67663 94.77343       3.187163  95.78739       3.458463  89.06065       8.209085  637.9570 11.52451 614.1219 28.41652 23.83508       30.66452 
1 1 1 -10 16 9  o 346.1527 11.65876 28.20266       1.898407  27.98660       2.004498  30.08324       5.913733  344.8088 12.35828 354.6335 35.94639 -9.824646      38.01144 
1 1 1 -10 16 10 o 911.3362 12.97989 195.5341       5.564407  187.0748       6.777774  213.0241       9.745721  891.1638 16.16815 950.3737 21.79969 -59.20990      27.14103 
1 1 1 -10 16 11 o 689.8912 19.51093 112.2176       6.331809  112.2176       6.331809  0.000000       0.000000  689.8912 19.51093 ?        ?        0.000000       19.51093 
1 1 1 -10 16 12 o 1055.107 15.94770 262.3178       7.915241  266.8683       9.339113  250.7135       14.91368  1063.860 18.66172 1028.937 30.81250 34.92346       36.02319 
1 1 1 -10 16 13 o 803.1516 12.52515 151.9127       4.732055  162.3438       6.815326  142.2031       6.575394  829.7642 17.46074 776.5281 18.00094 53.23602       25.07811 
1 1 1 -10 16 14 o 65.05770 29.30445 -0.9601392     1.889131  -1.246655      2.862295  -0.7390013     2.514614  81.22371 36.36913 78.71773 34.73181 2.505981       50.28928 
1 1 1 -10 16 15 o 457.4660 12.82687 49.31297       2.760251  48.02360       4.296879  50.21886       3.601665  450.8226 20.26180 461.3612 16.59560 -10.53857      26.19074 
1 1 1 -10 16 16 o 490.0349 23.87112 56.90774       5.502615  54.93461       6.972248  60.16647       8.960239  479.2445 31.09558 499.5051 38.42873 -20.26059      49.43382 
1 1 1 -10 16 17 o 607.1453 14.90385 87.00400       4.256576  80.88586       9.258808  88.64363       4.793131  580.2101 34.07300 612.5777 16.63370 -32.36755      37.91635 
1 1 1 -10 16 18 o 324.1566 15.30606 24.82125       2.333929  34.16650       4.609329  21.59911       2.706543  377.9029 26.08892 301.4175 19.18856 76.48535       32.38568 
1 1 1 -10 16 19 o 709.7659 13.55476 118.9594       4.525599  118.4078       7.138288  119.3301       5.852005  705.9973 21.49422 709.9246 17.52359 -3.927307      27.73226 
1 1 1 -10 16 20 o 141.3253 48.15228 4.703793       3.834516  4.703793       3.834516  0.000000       0.000000  141.3253 48.15228 ?        ?        0.000000       48.15228 
1 1 1 -10 16 21 o 110.7866 34.40146 2.989357       1.980922  5.873178       3.912268  1.995113       2.297158  152.8662 48.47407 100.0768 36.94213 52.78943       60.94634 
1 1 1 -10 16 22 o 279.9757 19.80565 18.77527       2.591594  12.59975       4.223021  22.50605       3.282357  221.7023 42.03155 305.7438 22.99058 -84.04147      47.90843 
1 1 1 -10 16 23 o 396.8626 20.69701 37.76251       3.850436  0.000000       0.000000  37.76251       3.850436  ?        ?        396.8626 20.69701 0.000000       20.69701 
1 1 1 -10 16 24 o 158.9497 35.42430 6.486243       2.580994  4.494649       6.463527  6.864054       2.815180  150.8616 60.27697 162.9610 37.50266 -12.09938      70.99128 
1 1 1 -10 16 25 o 393.2959 17.53641 36.91903       3.244364  31.78203       5.167737  40.26097       4.168174  358.2824 30.96677 408.5687 21.76607 -50.28629      37.85106 
1 1 1 -10 16 26 o 353.4356 20.86724 30.16776       3.453936  25.46912       5.047779  34.30440       4.736293  317.6310 34.32982 373.6869 27.12890 -56.05591      43.75516 
1 1 1 -10 16 27 o 349.1395 26.76250 30.08657       4.361905  39.46778       5.390583  12.29489       7.423599  398.5800 28.94843 199.1441 67.00322 199.4359       72.98933 
1 1 1 -10 16 28 o 186.7032 32.49714 9.012399       2.750404  6.847507       4.294385  10.51803       3.581314  155.5485 50.91803 197.8891 39.85093 -42.34059      64.65865 
1 1 1 -10 16 29 o 194.1284 34.82194 9.972120       3.063051  14.49168       5.915877  8.316714       3.580333  216.0614 57.27845 171.4163 44.13699 44.64513       72.31110 
1 1 1 -10 16 30 o 123.2989 46.08337 4.027243       3.596653  0.000000       0.000000  4.027243       3.596653  ?        ?        123.2989 46.08337 0.000000       46.08337 
1 1 1 -10 16 31 o 176.4709 44.05709 9.300042       3.646002  7.226517       4.946945  11.76576       5.394531  148.3751 54.29899 185.2603 56.64568 -36.88525      78.46728 
1 1 1 -10 16 32 o 191.1155 41.58979 10.94004       3.632730  7.467302       4.750185  15.83234       5.638078  145.9506 53.23907 212.2701 55.74769 -66.31943      77.08569 
1 1 1 -10 18 1  o 541.5962 10.61946 69.02625       2.705499  72.77061       3.684737  64.64631       3.985210  555.9829 14.08886 523.9537 16.16921 32.02917       21.44620 
1 1 1 -10 18 2  o 852.1135 11.48935 170.8838       4.605347  175.4085       6.396785  166.0149       6.635670  863.0876 15.75569 839.5930 16.80145 23.49457       23.03325 
1 1 1 -10 18 3  o 454.0256 14.31130 48.53162       3.056531  52.73484       5.661834  46.80281       3.631109  472.0840 25.59140 445.7644 17.31668 26.31961       30.89962 
1 1 1 -10 18 4  o 1188.782 13.41476 332.6828       7.501607  344.1032       10.78605  321.9831       10.44016  1208.476 18.97382 1168.987 18.98576 39.48889       26.84148 
1 1 1 -10 18 5  o 983.5069 13.02879 227.7065       6.027689  229.0820       6.911245  223.3353       12.32085  986.3399 14.89568 972.6252 26.92935 13.71472       30.77452 
1 1 1 -10 18 6  o 553.9573 11.81429 72.23085       3.078599  71.29610       3.389601  76.63496       7.357470  550.3133 13.09391 569.6415 27.45728 -19.32825      30.41961 
1 1 1 -10 18 7  o 340.4277 12.78884 27.28365       2.047977  27.30141       2.191403  27.16112       5.755503  340.5151 13.68096 336.5119 36.96836 4.003204       39.41863 
1 1 1 -10 18 8  o 933.1537 12.00568 204.9934       5.269983  206.9923       5.847287  196.3437       12.16360  937.5989 13.25770 911.3600 28.37286 26.23889       31.31750 
1 1 1 -10 18 9  o 897.4517 11.84386 189.6187       5.000043  191.7908       5.501664  179.3104       11.98533  902.4913 12.95931 870.5728 29.26682 31.91846       32.00766 
1 1 1 -10 18 10 o 653.9828 15.68443 100.7833       4.825080  100.3865       5.615865  101.9025       9.430228  652.4728 18.29722 655.8825 30.56517 -3.409729      35.62328 
1 1 1 -10 18 11 o 918.3058 13.83693 198.6692       5.977181  198.6692       5.977181  0.000000       0.000000  918.3058 13.83693 ?        ?        0.000000       13.83693 
1 1 1 -10 18 12 o 613.2163 14.47074 88.62607       4.174205  85.02819       4.610960  104.9643       9.825871  600.4719 16.32411 664.8140 31.41967 -64.34210      35.40723 
1 1 1 -10 18 13 o 328.5948 19.08634 25.58509       2.937497  26.10254       3.224337  23.05886       7.124315  331.6887 20.76995 304.7529 51.53384 26.93579       55.56193 
1 1 1 -10 18 14 o 381.2307 16.13101 34.29879       2.892802  35.48598       3.749955  32.55397       4.546123  386.8107 20.68400 369.4650 26.32991 17.34570       33.48272 
1 1 1 -10 18 15 o 351.6978 15.37448 29.19502       2.543545  34.00934       3.966238  25.83195       3.314967  378.1968 22.39393 329.5821 21.49966 48.61469       31.04390 
1 1 1 -10 18 16 o 124.8702 32.30904 3.871897       1.912290  5.620708       3.363124  3.036340       2.324661  150.6487 44.42592 114.3058 37.46506 36.34283       58.11448 
1 1 1 -10 18 17 o 428.2058 15.21134 43.32421       3.064004  41.23068       7.126112  43.79903       3.393725  411.5404 37.21299 430.3352 16.76488 -18.79483      40.81504 
1 1 1 -10 18 18 f 510.3032 13.20841 61.49284       3.170648  62.59031       5.314608  60.88637       3.950741  513.0264 22.02228 507.2050 16.55868 5.821320       27.55305 
1 1 1 -10 18 19 o 366.6548 14.85756 31.80328       2.562560  31.49201       4.606315  31.94278       3.083811  361.4178 27.29541 366.9857 17.86362 -5.567902      32.62128 
1 1 1 -10 18 20 o 439.9058 14.23598 45.79351       2.945889  44.28091       4.918694  46.63956       3.678632  429.3863 24.45306 443.2301 17.64362 -13.84378      30.15376 
1 1 1 -10 18 21 o 350.4540 24.44418 29.60705       4.004491  27.65995       4.491206  37.15815       8.844508  337.1727 28.58579 378.6530 50.94802 -41.48026      58.41959 
1 1 1 -10 18 22 o 666.2399 14.07655 105.1786       4.411602  97.81808       6.804358  110.5165       5.794500  638.7612 22.64536 681.3000 18.08041 -42.53882      28.97782 
1 1 1 -10 18 23 o 210.2061 22.36744 10.71834       2.177746  8.258231       3.834194  11.88994       2.645972  176.6510 45.77001 220.3871 26.02508 -43.73610      52.65167 
1 1 1 -10 18 24 o 372.0310 17.39413 33.00337       3.044046  37.38118       5.045331  30.49764       3.817059  391.0433 27.60542 355.1493 22.97106 35.89398       35.91279 
1 1 1 -10 18 25 o 258.4115 23.22555 16.25967       2.793081  17.85368       4.597204  15.32699       3.516525  263.7139 38.16885 247.6644 30.85327 16.04948       49.07938 
1 1 1 -10 18 26 o 351.5638 18.27670 29.71600       3.012111  31.85084       5.152349  28.60755       3.712629  356.9336 30.99429 342.6794 23.16770 14.25415       38.69610 
1 1 1 -10 18 27 o 131.6640 37.06805 4.598991       2.393169  -0.1548569     3.865196  7.554387       3.047591  97.58979 43.05935 167.7038 39.31530 -70.11396      58.30781 
1 1 1 -10 18 28 o 144.7573 40.50561 5.760818       2.866745  9.111178       5.560050  4.547647       3.345752  172.2556 57.98647 130.3340 44.96074 41.92157       73.37505 
1 1 1 -10 18 29 o 259.0458 27.10056 17.01646       3.253474  15.40725       5.457738  17.90354       4.052181  225.3107 52.47238 260.7320 33.83667 -35.42130      62.43613 
1 1 1 -10 18 30 o 115.7571 42.01339 3.605559       2.952831  7.580262       4.765087  1.127782       3.762267  153.3270 53.61290 100.2830 43.39186 53.04404       68.97243 
1 1 1 -10 20 1  o 456.6605 13.68773 49.10490       2.940317  47.94888       3.479594  51.99168       5.498599  451.1406 16.39636 468.6008 25.03539 -17.46024      29.92677 
1 1 1 -10 20 2  o 854.5055 11.59902 171.8837       4.662357  175.9863       6.440116  167.3654       6.758542  864.3285 15.83965 842.7882 17.04768 21.54028       23.27053 
1 1 1 -10 20 3  o 1225.217 16.07560 353.6627       9.265088  358.0327       11.26585  344.5304       16.28589  1232.290 19.43487 1207.103 28.68124 25.18750       34.64575 
1 1 1 -10 20 4  o 193.7720 20.68305 8.956607       1.856145  12.10464       2.529485  5.283814       2.732190  225.1223 24.26980 146.5700 38.95900 78.55225       45.90018 
1 1 1 -10 20 5  o 410.0704 13.71621 39.60382       2.645830  44.12941       3.003098  23.90607       5.593079  432.8213 14.74999 314.8748 38.56730 117.9465       41.29163 
1 1 1 -10 20 6  o 1076.621 15.00509 273.0910       7.599249  273.0910       7.599249  0.000000       0.000000  1076.621 15.00509 ?        ?        0.000000       15.00509 
1 1 1 -10 20 7  o 370.7390 12.39587 32.36858       2.161795  31.81631       2.304604  36.41499       6.238130  367.5264 13.33026 390.1274 34.34221 -22.60101      36.83861 
1 1 1 -10 20 8  o 813.2720 11.42894 155.7460       4.372313  152.2671       4.710345  177.4079       11.75380  804.0499 12.45376 865.2795 28.87703 -61.22968      31.44804 
1 1 1 -10 20 9  o 293.8188 12.43174 20.33558       1.718229  20.58012       1.797108  17.73187       5.863965  295.5621 12.92576 267.6707 48.35101 27.89142       50.04893 
1 1 1 -10 20 10 o 294.0469 13.14610 20.37439       1.818373  19.81391       1.897619  26.66766       6.358644  289.9416 13.91327 331.1497 41.74756 -41.20813      44.00498 
1 1 1 -10 20 11 o 676.5457 11.58387 107.8292       3.686548  108.0543       3.964693  106.3912       10.01908  677.1671 12.44642 668.4807 31.86177 8.686401       34.20652 
1 1 1 -10 20 12 o 158.6987 24.20859 6.103780       1.750006  5.830207       1.824969  9.230084       6.169278  154.6894 26.00240 193.5250 60.81142 -38.83556      66.13738 
1 1 1 -10 20 13 o 200.0589 27.50180 9.692515       2.519695  7.938350       2.710193  20.87099       6.841577  179.4737 33.32883 288.0086 52.43045 -108.5349      62.12699 
1 1 1 -10 20 14 o 161.6326 33.83631 6.488327       2.490119  5.191171       2.861905  10.53056       5.052076  144.4785 40.48687 203.1380 52.49273 -58.65948      66.29234 
1 1 1 -10 20 15 o 109.8934 38.40471 2.627764       2.444967  4.027696       2.994114  -0.1740490     4.235788  130.4472 42.50730 106.9581 46.16109 23.48907       62.75123 
1 1 1 -10 20 16 o 173.5444 34.20872 7.499438       2.693369  7.196790       4.135221  7.722425       3.549513  168.5875 49.13359 174.3562 43.43756 -5.768646      65.58149 
1 1 1 -10 20 17 o 392.2559 15.10004 36.39064       2.786230  39.44867       4.398367  34.34103       3.600860  406.2668 23.11051 379.6918 20.23369 26.57507       30.71641 
1 1 1 -10 20 18 o 714.3893 15.75581 120.8516       5.294743  130.8561       10.76655  117.6603       6.080870  736.2122 31.08883 704.0430 18.36104 32.16919       36.10600 
1 1 1 -10 20 19 o 206.8788 20.94741 10.30034       2.010423  10.28085       3.602348  10.30916       2.422832  201.2806 39.45699 205.8415 25.57301 -4.560913      47.01950 
1 1 1 -10 20 20 o 132.3036 29.57924 4.394756       1.794673  2.687362       3.578739  4.968400       2.074363  119.2717 45.65176 140.3030 32.12282 -21.03133      55.82077 
1 1 1 -10 20 21 o 77.98406 30.92572 0.8497611      1.689526  0.3429891      3.456012  1.008909       1.936732  98.85379 42.15928 83.68246 33.13456 15.17133       53.62186 
1 1 1 -10 20 22 o 287.3744 32.98682 20.48875       4.378400  19.03389       5.245311  23.83175       7.951118  272.4457 42.29991 294.6866 59.41002 -22.24088      72.93033 
1 1 1 -10 20 23 f 437.7116 14.80929 45.49982       3.049240  45.57638       5.244359  45.46072       3.747861  433.1352 25.85745 436.4353 18.25553 -3.300049      31.65236 
1 1 1 -10 20 24 o 327.8823 20.12444 25.88818       3.088917  0.000000       0.000000  25.88818       3.088917  ?        ?        327.8823 20.12444 0.000000       20.12444 
1 1 1 -10 20 25 o 315.6747 19.78171 24.04903       2.922630  18.88228       6.580764  25.31851       3.261978  257.8862 55.86321 323.1579 21.58251 -65.27173      59.88742 
1 1 1 -10 20 26 o 145.3403 34.85498 5.557577       2.352235  5.446327       3.840013  5.624393       2.975913  142.4200 48.18843 144.3249 41.57171 -1.904861      63.64222 
1 1 1 -10 20 27 o 98.97102 37.19713 2.128103       2.349678  4.899712       3.771950  0.3705891      3.003650  135.1721 47.66832 90.15356 38.89021 45.01854       61.52005 
1 1 1 -10 20 28 o 106.0012 39.42322 2.663568       2.625799  0.1530321      4.156713  4.330616       3.387200  100.1588 44.39970 126.7907 45.12238 -26.63192      63.30373 
1 1 1 -10 20 29 o 149.1297 54.02199 6.997622       4.878685  6.997622       4.878685  0.000000       0.000000  149.1297 54.02199 ?        ?        0.000000       54.02199 
1 1 1 -10 22 1  o 638.4584 12.05080 96.00001       3.619244  93.07373       5.165967  98.82090       5.072092  628.2001 17.48173 647.3867 16.65536 -19.18665      24.14564 
1 1 1 -10 22 2  o 180.8431 27.78385 7.922617       2.287935  3.897146       4.372991  9.439849       2.684702  140.0826 51.08418 197.3704 29.84859 -57.28781      59.16529 
1 1 1 -10 22 3  o 447.4001 11.30796 47.13638       2.379850  45.33359       3.044390  49.96897       3.816100  438.5750 14.75663 460.2498 17.62612 -21.67490      22.98779 
1 1 1 -10 22 4  o 335.1776 12.78971 26.46591       2.016532  27.22969       2.629281  25.37488       3.142462  339.8012 16.44912 327.1470 20.52405 12.65421       26.30228 
1 1 1 -10 22 5  o 456.2948 14.26882 49.07277       3.062688  52.06112       3.463167  38.34721       6.560966  469.8817 15.66808 399.7379 35.25279 70.14371       38.57782 
1 1 1 -10 22 6  o 207.4266 20.38063 10.26200       1.962939  10.12072       2.119833  11.11177       5.199092  205.6996 22.26304 210.1852 52.68586 -4.485550      57.19653 
1 1 1 -10 22 7  o 772.5565 11.61592 140.5975       4.221369  139.1750       4.595804  148.2759       10.67731  768.5197 12.71268 790.2256 28.72379 -21.70593      31.41127 
1 1 1 -10 22 8  o 352.7019 13.75548 29.32751       2.282196  29.32751       2.282196  0.000000       0.000000  352.7019 13.75548 ?        ?        0.000000       13.75548 
1 1 1 -10 22 9  o 317.8358 13.29031 23.81624       1.987043  23.14248       2.070022  31.71820       7.089109  313.2644 14.04736 360.5397 42.62405 -47.27530      44.87915 
1 1 1 -10 22 10 o 303.3100 13.06861 21.69169       1.864599  21.88243       1.957239  19.81867       6.133310  304.6056 13.65955 282.0569 47.94210 22.54868       49.85006 
1 1 1 -10 22 11 o 149.0024 23.74936 5.396074       1.608734  4.725263       1.671172  13.87337       5.940866  138.7048 26.58054 232.9077 55.08809 -94.20288      61.16553 
1 1 1 -10 22 12 o 305.1803 15.64899 22.05648       2.238973  22.05648       2.238973  0.000000       0.000000  305.1803 15.64899 ?        ?        0.000000       15.64899 
1 1 1 -10 22 13 f 462.6493 13.35049 50.51669       2.905483  50.67429       3.121468  49.49465       7.949066  463.2503 14.32432 451.0972 37.80951 12.15311       40.43198 
1 1 1 -10 22 14 o 380.2051 14.96342 34.16199       2.676198  34.74325       2.865891  30.20214       7.480225  383.3092 15.89429 347.5876 46.95036 35.72162       49.56778 
1 1 1 -10 22 15 o 417.0344 17.56948 41.20181       3.446674  40.53241       4.210793  42.56087       5.999856  412.2809 21.78945 419.7627 30.59625 -7.481812      37.56209 
1 1 1 -10 22 16 o 84.10956 35.89694 0.7372553E-01  2.508818  -1.519087      2.977052  3.976691       4.660167  80.51112 36.47750 139.8931 52.42251 -59.38201      63.86492 
1 1 1 -10 22 17 o 193.7376 29.52995 9.231974       2.606097  11.85587       3.439291  5.693969       3.993692  218.4956 34.61621 151.5932 49.07224 66.90233       60.05303 
1 1 1 -10 22 18 o 182.6783 32.35983 8.312362       2.678968  1.368455       3.442713  18.97146       4.265394  107.0261 43.55033 277.6530 33.32354 -170.6269      54.83694 
1 1 1 -10 22 19 o 68.33367 31.06929 -1.217532      2.183571  -3.602854      5.025332  -0.6623636     2.424397  98.14346 45.53107 76.62956 33.94182 21.51389       56.79018 
1 1 1 -10 22 20 o 348.2898 16.08182 28.79220       2.634785  25.36098       4.055768  31.29766       3.465715  323.2227 26.91963 361.5652 20.46077 -38.34247      33.81286 
1 1 1 -10 22 21 o 177.6562 52.70223 8.442331       4.721399  8.442331       4.721399  0.000000       0.000000  177.6562 52.70223 ?        ?        0.000000       52.70223 
1 1 1 -10 22 22 o 241.3843 18.52218 13.98821       2.087113  12.71921       3.869986  14.50868       2.478436  222.9249 38.28391 244.9386 21.73637 -22.01375      44.02417 
1 1 1 -10 22 23 o 242.7781 19.98608 14.22724       2.262200  7.004344       3.750474  18.35793       2.836234  161.5561 46.70823 275.2420 22.09190 -113.6860      51.66924 
1 1 1 -10 22 24 o 433.8402 16.25515 44.93298       3.317339  38.08633       4.831295  51.04043       4.563043  394.0233 26.21549 460.0714 21.08434 -66.04800      33.64226 
1 1 1 -10 22 25 o 323.2014 17.64539 25.14021       2.672564  17.01821       4.102916  31.12620       3.522323  257.2081 34.80477 358.0772 21.00331 -100.8691      40.65109 
1 1 1 -10 22 26 o 103.3610 37.97387 2.453973       2.422864  6.724138       5.305270  1.328661       2.723464  153.8282 56.24078 94.68208 38.65454 59.14613       68.24367 
1 1 1 -10 22 27 o 169.2430 35.06730 7.679142       2.700018  3.674198       4.621068  9.755087       3.326994  126.2582 50.78236 188.9417 38.73381 -62.68345      63.86827 
1 1 1 -10 24 1  o 471.3899 11.18376 52.34458       2.479919  52.19282       3.188823  52.57682       3.944852  470.4662 14.40896 471.8786 17.77179 -1.412354      22.87913 
1 1 1 -10 24 2  o 651.9800 17.04437 100.3447       5.227386  0.000000       0.000000  100.3447       5.227386  ?        ?        651.9800 17.04437 0.000000       17.04437 
1 1 1 -10 24 3  o 410.8519 19.37436 39.89429       3.744398  0.000000       0.000000  39.89429       3.744398  ?        ?        410.8519 19.37436 0.000000       19.37436 
1 1 1 -10 24 4  o 808.0576 11.67824 153.8556       4.439039  149.9883       5.900440  158.8990       6.738128  797.2474 15.73338 820.2748 17.46267 -23.02740      23.50498 
1 1 1 -10 24 5  o 267.9276 18.21582 17.03914       2.282174  17.03914       2.282174  0.000000       0.000000  267.9276 18.21582 ?        ?        0.000000       18.21582 
1 1 1 -10 24 6  o 370.2117 13.99837 32.32795       2.437794  31.60414       2.650822  36.29608       6.206685  365.9343 15.39955 388.0706 34.35510 -22.13632      37.64863 
1 1 1 -10 24 7  o 350.8998 12.61736 29.03139       2.082672  30.36899       2.228152  19.78003       5.859823  358.8511 13.19961 282.2519 45.69652 76.59918       47.56471 
1 1 1 -10 24 8  o 218.9377 14.33120 11.35981       1.467808  11.44241       1.519798  10.21403       5.660251  219.6820 14.79306 200.3289 57.22077 19.35307       59.10204 
1 1 1 -10 24 9  o 307.9929 12.38293 22.37069       1.794045  23.29831       1.890519  13.97146       5.688739  314.2858 12.78754 233.7993 52.95412 80.48645       54.47624 
1 1 1 -10 24 10 o 213.1858 16.25051 10.80356       1.617375  10.89242       1.678944  9.658146       6.027713  213.9867 16.81482 195.1226 59.91403 18.86407       62.22884 
1 1 1 -10 24 11 o 428.6656 12.49623 43.35387       2.519804  43.56430       2.636916  41.14150       8.550207  429.6445 13.04721 407.7581 45.34435 21.88644       47.18410 
1 1 1 -10 24 12 o 253.3995 16.49494 15.25351       1.955477  14.86099       2.054948  19.01605       6.362249  249.9338 17.59077 272.9126 51.44533 -22.97879      54.36964 
1 1 1 -10 24 13 o 215.9886 20.90341 11.18197       2.097251  11.41698       2.238302  9.491678       6.002866  218.0223 22.13148 192.3077 59.91361 25.71455       63.87052 
1 1 1 -10 24 14 f 483.1423 13.60122 55.14868       3.091165  55.92348       3.340659  50.53508       8.151868  486.3586 14.60180 453.9631 38.53814 32.39545       41.21165 
1 1 1 -10 24 15 o 455.6340 17.93085 49.23279       3.843141  45.29775       4.248025  66.97385       9.019912  436.4521 20.69099 523.3705 36.87306 -86.91849      42.28167 
1 1 1 -10 24 16 o 95.67323 39.49335 0.8133160      2.882558  4.075506       3.820861  -3.496172      4.391567  134.7733 47.92810 91.09180 42.36233 43.68153       63.96616 
1 1 1 -10 24 17 o 294.6864 24.63754 20.92996       3.383951  22.85871       3.735471  12.10464       7.990469  307.6248 26.05886 211.8437 69.46091 95.78108       74.18815 
1 1 1 -10 24 18 o 347.9047 19.34203 28.89932       3.152923  28.96503       3.950141  28.78397       5.233769  346.7971 24.36882 342.4619 32.89342 4.335205       40.93674 
1 1 1 -10 24 19 o 131.7666 39.16451 4.388872       2.605471  6.445922       3.544031  1.969427       3.843553  157.6261 45.35607 115.4227 46.35254 42.20337       64.85161 
1 1 1 -10 24 20 o 304.5438 23.26408 22.40404       3.307555  21.89358       6.401272  22.58996       3.863222  288.8030 48.86165 304.3341 27.27484 -15.53110      55.95872 
1 1 1 -10 24 21 o 68.91177 31.03409 -0.8993350     2.117444  0.9079906      3.427213  -2.015146      2.692888  101.8247 42.63078 72.05188 33.39238 29.77283       54.15195 
1 1 1 -10 24 22 o 251.0602 35.30333 16.00037       4.054107  16.00037       4.054107  0.000000       0.000000  251.0602 35.30333 ?        ?        0.000000       35.30333 
1 1 1 -10 24 23 o 461.9995 23.46136 51.91798       5.082017  51.91798       5.082017  0.000000       0.000000  461.9995 23.46136 ?        ?        0.000000       23.46136 
1 1 1 -10 24 24 o 124.5102 44.24734 3.866211       3.255985  3.866211       3.255985  0.000000       0.000000  124.5102 44.24734 ?        ?        0.000000       44.24734 
1 1 1 -10 24 25 o 118.7325 34.18800 3.716644       2.012985  4.196923       3.023676  3.334336       2.697709  126.1254 42.76020 115.1399 40.33512 10.98554       58.78228 
1 1 1 -10 26 1  o 151.1800 22.09051 5.528656       1.524615  5.507348       1.878745  5.569753       2.609113  149.8132 27.67887 149.3700 37.25751 0.4431915      46.41381 
1 1 1 -10 26 2  o 392.2960 12.97873 36.29464       2.395055  40.07135       3.370245  32.44133       3.404250  411.7581 17.40003 369.7308 19.64389 42.02734       26.24202 
1 1 1 -10 26 3  o 178.1701 18.99392 7.594196       1.567370  8.778512       1.915506  5.194679       2.726538  191.2602 21.67328 144.4024 39.15379 46.85773       44.75210 
1 1 1 -10 26 4  o 290.2278 14.11244 19.87790       1.926685  19.50009       2.434621  20.51099       3.151585  286.5785 18.15381 293.1187 23.04260 -6.540192      29.33466 
1 1 1 -10 26 5  o 156.3994 27.52782 5.994120       1.951278  6.235247       2.100610  4.476814       5.269376  159.2627 29.11176 149.8188 55.82192 9.443863       62.95698 
1 1 1 -10 26 6  o 354.1759 14.40550 29.61352       2.400030  29.47784       2.583210  30.46968       6.489054  353.2559 15.54537 352.9165 39.78168 0.3393860      42.71113 
1 1 1 -10 26 7  o 766.9796 13.89121 138.8554       5.011795  140.8737       5.703485  132.0155       10.49968  772.1501 15.70252 742.9816 30.04198 29.16858       33.89823 
1 1 1 -10 26 8  o 284.4368 14.14849 19.10242       1.893063  19.59428       1.994608  14.63734       6.009645  287.6490 14.79099 238.3058 54.75942 49.34322       56.72184 
1 1 1 -10 26 9  o 232.6276 13.96154 12.82332       1.520723  13.03172       1.577554  10.08621       5.717178  234.4643 14.37273 198.0578 57.78665 36.40643       59.54722 
1 1 1 -10 26 10 o 381.6124 12.14414 34.35768       2.180011  35.93791       2.315589  22.03627       6.465936  390.2422 12.61415 295.7462 48.13294 94.49600       49.75838 
1 1 1 -10 26 11 o 369.5170 12.89705 32.23229       2.241786  32.28772       2.353247  31.68847       7.371490  369.7670 13.52914 356.8193 44.91256 12.94769       46.90603 
1 1 1 -10 26 12 o 325.2576 14.13926 24.99768       2.163333  25.67976       2.298969  19.72355       6.392788  329.5894 14.82827 277.7531 50.80059 51.83633       52.92048 
1 1 1 -10 26 13 o 186.2379 22.30717 8.370756       1.915370  7.718644       2.005472  15.14269       6.462669  178.2400 24.57223 239.6494 57.96156 -61.40936      62.95504 
1 1 1 -10 26 14 o 613.1381 14.57686 88.91515       4.204280  88.06548       4.653762  92.68729       9.805526  609.7972 16.22368 617.6578 33.87775 -7.860657      37.56208 
1 1 1 -10 26 15 o 178.3868 26.46487 7.787812       2.153419  7.187454       2.294892  12.21165       6.229556  170.3982 29.71073 213.7069 59.67896 -43.30875      66.66562 
1 1 1 -10 26 16 o 368.6443 15.69057 32.20604       2.720919  32.87999       2.937428  28.13317       7.221052  372.2814 16.77361 331.8002 47.63115 40.48120       50.49832 
1 1 1 -10 26 17 o 278.8428 24.68945 18.80018       3.204991  18.35222       3.649843  20.30916       6.698768  274.1697 28.72654 277.2871 53.29274 -3.117371      60.54197 
1 1 1 -10 26 18 f 193.8114 23.53997 9.140609       2.102069  9.546232       2.522058  8.217720       3.804240  196.8061 28.03498 176.9410 45.46215 19.86508       53.41130 
1 1 1 -10 26 19 o 88.01405 36.00138 0.8515885      2.368131  4.760197       3.170688  -4.079473      3.561333  137.0290 43.65857 76.16187 36.24693 60.86709       56.74426 
1 1 1 -10 26 20 o 107.7757 40.09099 2.430377       2.715768  -0.5912604     3.991326  5.035288       3.705889  98.55851 43.60775 140.9004 47.34102 -42.34190      64.36465 
1 1 1 -10 26 21 o 83.23467 36.80411 -0.5135149     2.838604  -2.211058      5.585002  0.7773218E-01  3.296077  107.4782 49.18204 93.57363 40.55157 13.90459       63.74405 
1 1 1 -10 26 22 o 108.3262 44.81938 1.562418       3.724801  11.31689       5.763470  -5.434008      4.881129  196.5104 58.21323 87.18468 41.74910 109.3257       71.63636 
1 1 1 -10 26 23 o 92.73306 42.25641 -1.474712      4.067632  -6.058264      5.664915  3.403686       5.844278  92.94489 44.63108 134.8177 55.98990 -41.87279      71.60169 
1 1 1 -10 28 1  o 494.3568 11.78450 57.62050       2.740445  62.08551       3.793534  52.74722       3.963179  512.6666 15.73040 472.2491 17.84035 40.41742       23.78494 
1 1 1 -10 28 2  o 345.5393 12.99451 28.16663       2.112159  31.58286       2.766639  23.39362       3.270203  365.6033 16.08692 313.2165 22.34181 52.38684       27.53081 
1 1 1 -10 28 3  o 149.3300 23.14621 5.416652       1.573290  6.135543       1.907619  3.887630       2.782062  158.4454 26.53235 127.7680 40.91543 30.67747       48.76513 
1 1 1 -10 28 4  o 248.0868 16.80505 14.61705       1.949591  15.45036       2.328566  12.66350       3.565321  254.6640 19.58825 227.1735 34.44369 27.49045       39.62407 
1 1 1 -10 28 5  o 329.5276 15.29732 25.65313       2.371245  27.48284       2.637058  17.92509       5.419542  340.9604 16.44169 267.8995 44.57127 73.06088       47.50712 
1 1 1 -10 28 6  o 139.9950 28.93156 4.851376       1.842264  5.147856       2.007836  3.272890       4.632877  144.0074 30.58438 135.1921 51.89507 8.815277       60.23705 
1 1 1 -10 28 7  o 364.3549 12.47818 31.32209       2.138677  33.02607       2.304356  20.73425       5.744098  374.0751 13.09548 288.5463 43.68596 85.52878       45.60652 
1 1 1 -10 28 8  o 234.3046 14.14447 13.01321       1.551658  12.36025       1.610074  21.52497       5.813155  228.2047 15.08372 294.0090 43.33140 -65.80431      45.88168 
1 1 1 -10 28 9  o 462.2000 11.28621 50.38661       2.453846  50.95250       2.609952  46.07610       7.203291  464.7109 11.93934 435.2901 35.48781 29.42075       37.44239 
1 1 1 -10 28 10 o 144.1671 24.09042 5.082397       1.576079  5.082397       1.576079  0.000000       0.000000  144.1671 24.09042 ?        ?        0.000000       24.09042 
1 1 1 -10 28 11 o 345.8217 13.77988 28.25967       2.241646  28.21184       2.389055  28.61177       6.481977  345.4178 14.70321 339.4969 41.44912 5.920868       43.97970 
1 1 1 -10 28 12 o 257.6652 16.79679 15.79616       2.024744  16.98326       2.153225  6.730084       5.950541  267.1337 17.22713 168.6650 59.82993 98.46869       62.26070 
1 1 1 -10 28 13 o 174.4891 25.14179 7.429406       2.004072  8.299298       2.154937  1.861177       5.452055  184.5149 25.50988 130.9274 54.20183 53.58749       59.90486 
1 1 1 -10 28 14 o 345.6122 15.06966 28.28876       2.449976  27.79347       2.628412  31.56956       6.764734  342.3698 16.32032 355.2662 41.24634 -12.89639      44.35779 
1 1 1 -10 28 15 o 168.0926 27.59429 6.977271       2.106176  9.351406       2.306488  -4.937575      5.167049  195.7079 25.67308 94.68635 44.64230 101.0216       51.49798 
1 1 1 -10 28 16 o 101.2925 46.02398 -2.101070      4.781346  -2.101070      4.781346  0.000000       0.000000  101.2925 46.02398 ?        ?        0.000000       46.02398 
1 1 1 -10 28 17 o 182.9350 44.26289 8.796103       3.767684  5.594531       5.022575  12.91617       5.697667  152.1784 54.86090 217.2467 55.53968 -65.06833      78.06647 
1 1 1 -10 28 18 o 136.6317 46.84816 4.618586       3.629882  9.405471       5.279367  0.3266944      4.998960  184.8983 55.93016 114.9275 49.87281 69.97081       74.93651 
1 1 1 -10 28 19 o 135.3235 54.41623 3.397741       5.304772  0.000000       0.000000  3.397741       5.304772  ?        ?        135.3235 54.41623 0.000000       54.41623 
1 1 1 -10 28 20 o 165.3970 47.36061 7.475656       3.872726  4.194412       5.458014  10.80262       5.495905  140.3280 55.60503 193.9529 56.67694 -53.62492      79.39896 
1 1 1 -10 30 1  o 271.9808 20.57370 17.64314       2.612738  18.49881       5.304564  17.36906       3.002158  272.5966 42.77557 269.1823 23.95974 3.414215       49.02875 
1 1 1 -10 30 2  o 378.5695 12.90840 33.82153       2.298727  36.13965       3.068754  30.85782       3.469853  390.8868 16.68944 360.1000 20.56951 30.78680       26.48853 
1 1 1 -10 30 3  o 315.7038 15.13979 23.55314       2.248376  23.62961       3.113736  23.46983       3.250008  314.8223 21.14829 313.5411 22.17848 1.281189       30.64532 
1 1 1 -10 30 4  o 444.2615 13.46875 46.59940       2.814721  48.84149       3.476176  42.33056       4.796568  454.4261 16.26182 420.9315 24.32794 33.49457       29.26253 
1 1 1 -10 30 5  o 571.0576 30.36356 78.44828       8.127157  0.000000       0.000000  78.44828       8.127157  ?        ?        571.0576 30.36356 0.000000       30.36356 
1 1 1 -10 30 6  o 131.5924 30.42077 4.318952       1.845417  3.974325       1.994827  6.364448       4.859930  126.1555 33.17355 162.1443 54.21468 -35.98888      63.55876 
1 1 1 -10 30 7  f 468.3821 13.30483 51.81366       2.931426  54.97142       3.278126  39.20928       6.549337  482.2642 14.45012 401.1421 35.06024 81.12213       37.92132 
1 1 1 -10 30 8  o 205.6360 15.70882 10.06351       1.508044  9.814414       1.581593  12.55648       5.003415  202.9013 16.71955 220.5850 49.44252 -17.68369      52.19297 
1 1 1 -10 30 9  o 439.0255 20.65948 45.83611       4.266566  50.92153       5.661164  39.14983       6.491344  460.4877 26.24343 400.3627 34.81422 60.12500       43.59756 
1 1 1 -10 30 10 o 266.7909 29.26164 17.32472       3.612031  16.08799       4.738613  19.03983       5.580350  252.8606 41.26154 274.0562 44.83744 -21.19559      60.93366 
1 1 1 -10 30 11 o 263.6232 31.16268 17.02364       3.789698  18.74852       5.365227  15.30618       5.353675  272.0974 43.37368 243.2220 48.49422 28.87538       65.06125 
1 1 1 -10 30 12 o 109.8923 42.69847 2.070483       3.164905  -1.285375      4.480249  5.413199       4.471467  102.2518 45.66327 150.0498 51.96478 -47.79805      69.17711 
1 1 1 -10 30 13 o 234.5894 44.76449 14.20036       4.759593  0.000000       0.000000  14.20036       4.759593  ?        ?        234.5894 44.76449 0.000000       44.76449 
1 1 1 -10 30 14 o 391.1671 24.76410 36.94260       4.533225  39.12010       6.673800  35.07729       6.176893  396.9378 36.13800 376.1594 35.32200 20.77838       50.53315 
1 1 1 -10 30 15 o 224.6967 35.67254 12.74098       3.644514  11.88764       5.347836  13.48098       4.980039  208.9668 54.01153 225.4231 48.40950 -16.45630      72.53086 
1 1 1 -10 30 16 o 99.47075 42.35526 0.4985972      3.478207  -7.187872      5.335260  6.180143       4.586965  88.34238 42.63979 154.8911 52.66580 -66.54868      67.76311 
1 1 1 -10 32 1  o 202.3091 46.46130 10.49941       4.328349  10.49941       4.328349  0.000000       0.000000  202.3091 46.46130 ?        ?        0.000000       46.46130 
1 1 1 -10 32 3  o 149.3799 32.82272 5.590024       2.243426  7.586207       2.752357  1.638526       3.872447  174.0832 34.82694 114.4375 46.32548 59.64567       57.95658 
1 1 1 -10 32 4  o 322.1141 20.38865 24.76169       3.073416  36.92034       4.269306  11.68252       4.427969  392.8118 23.20790 213.6048 45.46377 179.2070       51.04470 
1 1 1 -10 32 5  o 221.9519 28.33217 12.01275       2.890583  15.89180       3.860512  7.063020       4.360872  254.3153 33.05159 166.5259 50.93250 87.78935       60.71678 
1 1 1 -10 32 6  o 333.9543 23.03082 26.73703       3.595860  36.92034       5.300248  18.05292       4.894571  390.6508 29.05065 268.6424 39.94804 122.0083       49.39419 
1 1 1 -10 32 7  o 136.9146 41.37007 4.689033       2.889593  5.324019       4.107036  4.066588       4.066274  148.1388 49.83711 136.0505 49.31395 12.08830       70.11137 
1 1 1 -10 32 8  o 172.8071 39.54585 7.625926       3.145095  10.08918       4.516104  5.306183       4.382572  196.3973 49.03379 148.9022 51.45256 47.49509       71.07516 
1 1 1 -10 32 9  o 83.40284 39.48325 -4.393579      4.118391  -4.393579      4.118391  0.000000       0.000000  83.40284 39.48325 ?        ?        0.000000       39.48325 
1 1 1 -10 32 10 o 269.4116 28.75401 17.73232       3.587751  18.54043       5.227099  17.01249       4.933327  269.8802 42.58604 258.5671 42.00130 11.31305       59.81372 
1 1 1 -10 32 11 o 112.2568 43.35900 2.288590       3.248655  2.168252       4.610473  2.407254       4.578279  123.9791 50.41767 125.3962 50.50758 -1.417183      71.36496 
1 1 1 -9  1  1  o 307.2214 12.48253 22.21329       1.803946  22.49828       2.072616  21.32283       3.663609  309.1566 14.25184 299.5413 26.26581 9.615295       29.88323 
1 1 1 -9  1  2  o 499.8524 15.16851 58.82011       3.566596  57.25327       4.703760  60.93937       5.470479  492.9698 20.28409 508.4773 22.87097 -15.50745      30.57001 
1 1 1 -9  1  3  o 899.8626 15.07960 190.6317       6.383153  184.3044       8.521225  198.7218       9.635387  884.4560 20.48125 918.2520 22.30684 -33.79596      30.28328 
1 1 1 -9  1  4  o 1163.663 11.96587 318.6793       6.549994  334.3126       9.696965  305.5613       8.882687  1191.476 17.30141 1139.148 16.57658 52.32739       23.96083 
1 1 1 -9  1  5  o 938.9325 10.23806 207.4465       4.521906  205.4157       6.313430  209.5856       6.479694  934.1193 14.36791 943.5391 14.59907 -9.419800      20.48341 
1 1 1 -9  1  6  o 868.8995 9.885047 177.6544       4.040337  176.9417       5.680591  178.3840       5.747801  866.9604 13.92916 870.4807 14.03697 -3.520264      19.77518 
1 1 1 -9  1  7  o 1150.506 12.10930 311.5642       6.553560  313.3123       9.317851  309.8530       9.219203  1153.285 17.17552 1146.909 17.08815 6.375610       24.22816 
1 1 1 -9  1  8  o 627.6970 10.73055 92.73568       3.168411  89.20928       5.428415  94.55776       3.902032  615.1994 18.75806 633.7241 13.08945 -18.52466      22.87353 
1 1 1 -9  1  9  o 282.2866 13.52379 18.76954       1.795799  18.83545       2.110995  18.59691       3.416214  282.2525 15.96481 279.2009 26.32177 3.051605       30.78491 
1 1 1 -9  1  10 o 517.6424 10.28318 63.09089       2.503955  57.70607       3.439860  69.16003       3.651898  494.7757 14.77962 541.6940 14.33162 -46.91827      20.58719 
1 1 1 -9  1  11 o 189.6849 18.02809 8.568290       1.589274  9.877877       2.241393  7.244159       2.253805  202.9239 23.94198 172.4679 28.79571 30.45601       37.44878 
1 1 1 -9  1  12 o 145.4831 27.19830 5.172095       1.792897  6.668195       2.410753  3.320452       2.681953  164.8118 32.25015 121.0694 40.26844 43.74244       51.59088 
1 1 1 -9  1  13 o 376.0444 13.78203 33.30313       2.437932  30.36489       3.506171  36.05342       3.392168  358.1637 20.90126 391.0623 18.44005 -32.89856      27.87290 
1 1 1 -9  1  14 o 991.8432 13.20547 231.6024       6.161213  225.3288       8.576863  238.2915       8.856400  977.8506 18.64604 1005.576 18.72289 -27.72571      26.42388 
1 1 1 -9  1  15 o 170.6436 29.42379 7.072966       2.276579  5.522376       3.237962  8.588817       3.201486  150.8156 43.34083 187.1276 37.67368 -36.31200      57.42590 
1 1 1 -9  1  16 o 392.6153 19.21343 36.32450       3.548473  33.41261       6.292785  37.68211       4.296772  373.9281 36.22991 399.0642 22.98641 -25.13608      42.90666 
1 1 1 -9  1  17 o 586.9849 14.20565 81.13194       3.922450  83.44182       5.689133  79.03902       5.415351  594.9247 20.32894 579.0460 19.88128 15.87866       28.43468 
1 1 1 -9  1  18 o 665.3826 14.26333 104.2680       4.464386  102.0341       6.303113  106.5168       6.324129  657.7688 20.37101 672.0947 20.00327 -14.32593      28.55011 
1 1 1 -9  1  19 o 601.8040 16.95823 85.36401       4.800705  83.33086       5.943694  89.17956       8.142344  594.2323 21.26331 613.9550 28.19315 -19.72266      35.31263 
1 1 1 -9  1  20 o 403.2209 26.31910 38.63204       4.964720  0.000000       0.000000  38.63204       4.964720  ?        ?        403.2209 26.31910 0.000000       26.31910 
1 1 1 -9  1  21 f 251.1293 32.81079 15.24569       3.783339  17.14825       4.620790  11.37634       6.589697  265.4273 38.10103 213.2330 61.98962 52.19423       72.76263 
1 1 1 -9  1  22 o 776.9093 18.00703 142.5677       6.580847  126.0702       10.72307  152.5356       8.335125  727.4626 31.33567 802.7572 22.07286 -75.29462      38.32930 
1 1 1 -9  1  23 o 176.1695 43.95117 7.824214       3.630298  5.190021       4.360354  13.77527       6.553827  150.2610 51.34714 230.8715 59.85049 -80.61041      78.85817 
1 1 1 -9  1  24 o 543.6577 17.91558 69.99780       4.581688  71.73656       6.511945  68.29329       6.447505  548.5166 25.23781 535.0814 25.61549 13.43524       35.95970 
1 1 1 -9  1  25 o 112.6736 45.20634 1.744008       3.652098  -0.2382825     4.410143  6.070155       6.515079  107.7072 46.79164 166.1708 62.03972 -58.46358      77.70705 
1 1 1 -9  1  26 o 88.42373 39.71852 -1.282840      3.442537  4.158740       5.995230  -3.959631      4.204851  148.4414 58.44908 86.16362 40.51611 62.27776       71.11856 
1 1 1 -9  1  27 o 477.3611 22.68142 54.74966       5.093152  62.36624       9.560287  51.73135       6.018291  496.1557 41.33845 460.7790 27.89735 35.37668       49.87113 
1 1 1 -9  1  28 o 263.5651 34.10960 17.53270       4.129756  19.38689       5.371094  14.85137       6.458935  271.9441 43.44948 227.3508 59.64867 44.59332       73.79580 
1 1 1 -9  1  29 o 485.1569 23.68310 57.21051       5.404930  59.52855       6.674363  52.79430       9.212429  490.1620 29.07676 446.8130 44.41956 43.34906       53.09007 
1 1 1 -9  1  30 o 96.49844 40.58665 0.9177007      3.129443  3.154888       4.498780  -1.179804      4.356071  125.2881 50.20678 97.57755 44.17482 27.71054       66.87402 
1 1 1 -9  1  31 o 326.6364 27.68288 26.72037       4.213472  29.27031       5.273877  22.22057       7.005866  337.1620 33.70389 273.3230 56.36219 63.83902       65.67076 
1 1 1 -9  1  32 o 82.77354 37.25638 -0.7012920     3.046805  2.850699       4.535256  -3.623017      4.113254  120.0311 49.54207 82.35204 39.12317 37.67904       63.12717 
1 1 1 -9  1  33 o 217.2127 32.72630 12.52839       3.240103  14.94902       4.742668  10.40974       4.436985  225.6378 46.23688 183.7035 50.00467 41.93430       68.10519 
1 1 1 -9  1  34 o 123.2329 45.37581 4.421978       3.462204  6.480381       5.895216  3.338212       4.277620  140.4217 57.04723 116.5947 48.11827 23.82700       74.63079 
1 1 1 -9  1  35 o 208.9543 45.73796 13.84563       4.370944  20.69560       6.363183  7.725922       6.014445  238.9467 57.34228 141.3761 57.54900 97.57060       81.24053 
1 1 1 -9  1  36 o 83.05862 40.48911 -4.096314      5.128120  -4.096314      5.128120  0.000000       0.000000  83.05862 40.48911 ?        ?        0.000000       40.48911 
1 1 1 -9  3  1  o 614.8267 18.53267 89.03092       5.359941  0.000000       0.000000  89.03092       5.359941  ?        ?        614.8267 18.53267 0.000000       18.53267 
1 1 1 -9  3  2  o 952.0073 15.60512 213.3772       6.988385  213.3772       6.988385  0.000000       0.000000  952.0073 15.60512 ?        ?        0.000000       15.60512 
1 1 1 -9  3  3  o 803.6131 11.57753 151.9758       4.376555  167.3008       7.745346  144.7875       5.304577  842.7263 19.53822 784.2602 14.37876 58.46613       24.25882 
1 1 1 -9  3  4  o 777.5804 9.484738 142.2647       3.469285  142.0738       4.758379  142.4813       5.068954  776.9262 13.01997 778.0026 13.85058 -1.076416      19.00942 
1 1 1 -9  3  5  o 1227.349 12.50144 354.5542       7.217678  358.4201       10.23970  350.7368       10.17528  1233.589 17.64605 1220.288 17.72616 13.30139       25.01200 
1 1 1 -9  3  6  o 499.5464 8.102328 58.71267       1.903948  60.43873       2.668551  56.92300       2.717288  506.7615 11.19444 491.7862 11.74600 14.97537       16.22603 
1 1 1 -9  3  7  o 457.6573 11.74058 49.30094       2.527547  0.000000       0.000000  49.30094       2.527547  ?        ?        457.6573 11.74058 0.000000       11.74058 
1 1 1 -9  3  8  o 600.5648 10.47344 84.89625       2.958820  81.06422       4.947939  87.02933       3.691588  586.4245 17.93672 607.9431 12.90865 -21.51855      22.09885 
1 1 1 -9  3  9  o 557.2940 9.751695 73.11028       2.556429  69.03378       3.511966  77.70473       3.728409  541.3036 13.79241 574.2927 13.80133 -32.98907      19.51172 
1 1 1 -9  3  10 o 219.3531 14.08202 11.38710       1.445364  11.41907       2.106155  11.35865       1.987139  218.8819 20.70136 218.4542 19.54389 0.4277344      28.46946 
1 1 1 -9  3  11 o 624.8039 10.76857 91.92564       3.164982  93.30159       4.626358  90.71513       4.339337  629.0537 15.63444 620.3464 14.87031 8.707336       21.57688 
1 1 1 -9  3  12 o 177.8707 21.02875 7.571477       1.725446  9.101892       2.636898  6.425545       2.281750  193.7977 29.88606 161.9802 31.07623 31.81749       43.11506 
1 1 1 -9  3  13 o 647.9034 13.31053 98.83963       4.056718  105.2319       7.447872  96.14323       4.837241  667.7396 23.71132 638.8445 16.09657 28.89508       28.65879 
1 1 1 -9  3  14 o 807.7391 12.45866 153.5788       4.733822  163.3065       7.043786  145.5663       6.392739  832.5642 17.98536 786.0931 17.28796 46.47107       24.94687 
1 1 1 -9  3  15 o 1334.822 22.80397 420.1544       14.31868  428.0619       20.70146  412.9013       19.82624  1345.489 32.70783 1321.620 31.89072 23.86841       45.68172 
1 1 1 -9  3  16 o 512.6711 14.08317 61.88201       3.396319  63.12232       5.019025  60.83432       4.612878  517.4787 20.61852 508.0829 19.30048 9.395782       28.24238 
1 1 1 -9  3  17 o 995.0807 16.80610 233.2741       7.866737  237.8455       9.620360  224.0488       13.66655  1004.399 20.36177 973.4941 29.84395 30.90540       36.12842 
1 1 1 -9  3  18 o 179.9607 32.01878 7.894586       2.611175  10.29708       3.832107  5.812326       3.567584  204.5212 41.25513 154.9382 45.77500 49.58301       61.62253 
1 1 1 -9  3  19 o 261.3169 23.59537 16.25873       2.869152  21.02290       4.272749  12.34638       3.871977  296.2888 31.12151 224.9013 37.94991 71.38754       49.07896 
1 1 1 -9  3  20 o 649.9351 17.16043 99.61456       5.246472  104.3995       9.616249  97.58662       6.260287  663.4244 30.81378 642.9008 20.70051 20.52362       37.12143 
1 1 1 -9  3  21 o 117.4429 41.40699 2.911761       2.845971  -2.496395      4.103169  7.925660       3.950778  93.20531 42.45960 178.2321 46.59776 -85.02681      63.04101 
1 1 1 -9  3  22 o 318.2198 25.05321 24.16490       3.719918  21.97681       6.711318  25.13523       4.469265  297.0995 49.78281 323.6653 29.68499 -26.56589      57.96143 
1 1 1 -9  3  23 o 87.72811 37.98248 -0.2885029     2.886214  -1.694663      4.130003  1.053773       4.035097  97.06670 43.55909 112.8697 46.66996 -15.80298      63.83948 
1 1 1 -9  3  24 o 624.8505 16.85183 92.41292       4.953275  88.00598       6.980082  96.88332       7.030164  607.6709 24.41871 637.9160 23.42786 -30.24512      33.83989 
1 1 1 -9  3  25 o 363.0594 21.82104 31.52371       3.709379  27.82465       5.276999  35.13671       5.215256  337.1073 33.73009 380.9049 29.33214 -43.79758      44.70004 
1 1 1 -9  3  26 o 121.9494 43.38246 3.346323       3.130723  3.584940       4.477075  3.117986       4.379557  133.8005 51.09720 129.3507 50.23671 4.449783       71.65648 
1 1 1 -9  3  27 o 200.7065 34.63033 10.19734       3.151409  11.38568       4.589486  9.137164       4.334930  206.4394 48.14534 184.4665 49.09260 21.97292       68.76087 
1 1 1 -9  3  28 o 189.3641 43.72589 9.572383       3.816248  5.484543       6.958119  11.33106       4.563924  156.9484 62.59567 204.0505 48.29803 -47.10210      79.06274 
1 1 1 -9  3  29 o 122.5529 43.61812 3.650820       3.165191  6.001254       4.571132  1.485876       4.387054  150.0879 52.50875 113.9525 47.99791 36.13537       71.14049 
1 1 1 -9  3  30 o 148.6520 42.64618 6.020940       3.137417  6.189875       4.319615  5.832313       4.564456  149.9638 51.10738 147.0876 52.37640 2.876144       73.17958 
1 1 1 -9  3  31 o 122.4194 43.04638 3.853556       3.073937  1.884219       4.312225  5.888111       4.383047  113.6697 47.71726 145.4870 51.37634 -31.81724      70.11751 
1 1 1 -9  3  32 o 197.8470 42.16357 10.94670       3.804040  6.637932       6.389085  13.31299       4.734738  151.1913 60.08155 213.6376 48.25354 -62.44626      77.05969 
1 1 1 -9  3  33 o 93.20940 41.75180 -0.1440475     3.776059  -2.308859      6.476866  0.9706483      4.647646  106.9076 50.27496 106.9824 47.20962 -0.7479095E-01 68.96608 
1 1 1 -9  3  34 o 123.9005 49.17114 4.370341       4.274097  0.3567182      5.944684  8.665280       6.149489  109.7304 50.40652 153.7726 59.58222 -44.04227      78.04395 
1 1 1 -9  3  35 o 87.21893 39.71115 -0.1649189     3.583045  -6.382284      4.832154  7.428658       5.340240  76.99239 37.89377 140.6251 55.23001 -63.63274      66.97979 
1 1 1 -9  3  36 o 91.47880 43.20485 -0.7681332     4.878252  -0.7681332     4.878252  0.000000       0.000000  91.47880 43.20485 ?        ?        0.000000       43.20485 
1 1 1 -9  5  1  o 280.1595 17.11250 18.55232       2.244402  0.000000       0.000000  18.55232       2.244402  ?        ?        280.1595 17.11250 0.000000       17.11250 
1 1 1 -9  5  2  o 1474.873 20.81419 512.5736       14.44055  512.5736       14.44055  0.000000       0.000000  1474.873 20.81419 ?        ?        0.000000       20.81419 
1 1 1 -9  5  3  f 155.1657 12.83466 5.705733       0.9283951 5.670892       1.185445  5.760999       1.493033  154.2940 16.59373 154.9426 21.02794 -0.6485748     26.78668 
1 1 1 -9  5  4  o 2235.468 21.21869 1177.878       22.31292  1122.488       29.49333  1252.010       34.12042  2180.336 28.75617 2301.794 31.51219 -121.4580      42.66070 
1 1 1 -9  5  5  f 531.0821 8.637058 66.36353       2.157729  65.91802       2.817584  66.99531       3.355360  529.2237 11.31796 533.4611 13.37110 -4.237427      17.51806 
1 1 1 -9  5  6  o 1117.555 11.89755 293.9944       6.254541  306.0648       9.076905  283.0821       8.630486  1139.779 16.92965 1096.171 16.73739 43.60767       23.80658 
1 1 1 -9  5  7  o 694.3984 10.64861 113.5039       3.478332  121.2842       6.062073  109.6852       4.247019  717.2635 17.96690 682.4661 13.22921 34.79749       22.31191 
1 1 1 -9  5  8  o 552.8999 11.09303 71.97974       2.885134  70.61255       3.329590  76.09988       5.780049  547.5160 12.92780 567.6279 21.64704 -20.11194      25.21354 
1 1 1 -9  5  9  o 722.1347 11.85010 122.8289       4.025404  127.0809       7.310222  120.9785       4.822383  733.3703 21.19034 716.4390 14.30913 16.93134       25.56916 
1 1 1 -9  5  10 o 599.7935 12.57189 84.74732       3.547086  87.66879       4.237964  77.91321       6.481833  609.8617 14.77259 573.9083 24.00966 35.95337       28.19030 
1 1 1 -9  5  11 o 954.0171 13.48068 214.3940       6.049748  215.7245       7.720297  212.2771       9.738095  956.5220 17.15812 948.1259 21.83427 8.396118       27.76935 
1 1 1 -9  5  12 o 827.0704 11.65146 161.0273       4.533066  159.4932       6.473913  162.5031       6.349349  822.7440 16.72757 830.5123 16.25226 -7.768372      23.32269 
1 1 1 -9  5  13 f 795.2029 12.07956 148.8427       4.518543  148.4445       6.534793  149.2075       6.254771  793.8051 17.50043 795.8992 16.70644 -2.094116      24.19442 
1 1 1 -9  5  14 o 789.3068 14.19531 146.6748       5.270602  147.8300       9.441980  146.1519       6.352418  791.5621 25.35764 787.7222 17.14339 3.839844       30.60891 
1 1 1 -9  5  15 o 594.0587 12.87710 83.07137       3.598460  87.39333       5.464841  79.76290       4.781354  609.0205 19.07552 581.9099 17.46730 27.11060       25.86469 
1 1 1 -9  5  16 o 655.6752 13.08953 101.2082       4.037218  103.5050       5.940168  99.23650       5.503751  662.7330 19.05421 648.9899 18.02817 13.74310       26.23123 
1 1 1 -9  5  17 o 895.4103 13.87857 188.7934       5.845693  191.2631       8.474521  186.5515       8.074122  900.6865 20.00194 889.5978 19.29445 11.08868       27.79125 
1 1 1 -9  5  18 o 524.4212 17.09131 64.81412       4.216236  69.33177       5.591172  58.85851       6.419622  542.0397 21.92817 498.2083 27.49882 43.83139       35.17144 
1 1 1 -9  5  19 f 346.8749 19.35248 28.47196       3.145172  29.04529       4.608774  27.97222       4.302857  349.1761 28.30246 342.8380 26.89662 6.338196       39.04430 
1 1 1 -9  5  20 o 306.7994 22.16096 22.35550       3.176733  18.97034       4.578110  25.49898       4.411669  280.1763 35.53527 326.7077 29.00784 -46.53137      45.87167 
1 1 1 -9  5  21 f 560.8395 22.08858 74.39858       5.827412  0.000000       0.000000  74.39858       5.827412  ?        ?        560.8395 22.08858 0.000000       22.08858 
1 1 1 -9  5  22 o 148.6596 40.83788 5.493271       2.943493  13.45087       4.392094  -0.9949362     3.965910  232.9430 41.60909 99.00999 43.65490 133.9330       60.30809 
1 1 1 -9  5  23 o 654.1102 16.04448 101.1194       4.936804  94.35843       6.889666  108.2540       7.077514  630.2031 23.24065 675.2874 22.28039 -45.08429      32.19540 
1 1 1 -9  5  24 o 602.0880 24.45255 86.47314       6.925536  86.47314       6.925536  0.000000       0.000000  602.0880 24.45255 ?        ?        0.000000       24.45255 
1 1 1 -9  5  25 o 609.3391 16.83757 88.05949       4.826227  93.33715       7.057177  83.42262       6.614902  624.6573 24.01706 590.6352 23.80865 34.02209       33.81821 
1 1 1 -9  5  26 o 171.0612 39.28806 7.530448       3.094804  5.372772       4.421543  9.602783       4.333220  148.5452 51.66080 190.5960 48.27747 -42.05075      70.70751 
1 1 1 -9  5  27 o 197.4015 48.94851 10.49653       4.522870  0.000000       0.000000  10.49653       4.522870  ?        ?        197.4015 48.94851 0.000000       48.94851 
1 1 1 -9  5  28 o 306.9363 24.48880 22.99226       3.506348  24.19530       5.040286  21.86405       4.880999  309.0939 35.29838 293.1666 36.15996 15.92734       50.53235 
1 1 1 -9  5  29 o 363.0174 22.32649 32.04452       3.794080  36.34090       5.482702  28.09645       5.255769  381.1580 30.84317 332.7038 34.06245 48.45413       45.95163 
1 1 1 -9  5  30 o 81.62441 38.92772 -4.324844      4.152825  -4.324844      4.152825  0.000000       0.000000  81.62441 38.92772 ?        ?        0.000000       38.92772 
1 1 1 -9  5  31 o 356.1503 23.14420 31.20239       3.856401  28.16008       5.319646  34.57212       5.598591  329.3271 34.86926 367.1252 32.76294 -37.79813      47.84637 
1 1 1 -9  5  32 o 136.0199 43.86304 5.214582       3.193112  9.100502       4.450241  1.091156       4.584223  173.2676 51.10649 109.0434 47.53585 64.22416       69.79635 
1 1 1 -9  5  33 o 115.5649 48.05828 2.809664       4.313960  0.000000       0.000000  2.809664       4.313960  ?        ?        115.5649 48.05828 0.000000       48.05828 
1 1 1 -9  5  34 o 98.11127 41.56464 1.616868       3.320507  1.776754       5.605461  1.530433       4.121444  113.3625 50.81810 103.3667 45.06658 9.995834       67.92257 
1 1 1 -9  5  35 o 105.8722 44.85776 2.651905       3.868228  3.400714       5.300595  1.798752       5.657866  115.4698 50.70466 109.3174 49.82246 6.152405       71.08614 
1 1 1 -9  5  36 o 144.1410 54.90308 9.010108       5.160397  9.010108       5.160397  0.000000       0.000000  144.1410 54.90308 ?        ?        0.000000       54.90308 
1 1 1 -9  7  1  o 451.9602 21.41431 48.15696       4.552747  48.15696       4.552747  0.000000       0.000000  451.9602 21.41431 ?        ?        0.000000       21.41431 
1 1 1 -9  7  2  o 1050.356 22.18409 260.1665       10.96093  260.1665       10.96093  0.000000       0.000000  1050.356 22.18409 ?        ?        0.000000       22.18409 
1 1 1 -9  7  3  o 704.0801 10.65527 116.6716       3.529034  111.3821       4.197339  129.4293       6.518607  687.8274 12.97255 741.0773 18.69916 -53.24988      22.75841 
1 1 1 -9  7  4  o 802.0724 10.24845 151.4101       3.866704  148.4868       4.449135  160.4340       7.817021  794.1998 11.90903 824.8444 20.14651 -30.64465      23.40314 
1 1 1 -9  7  5  o 382.5334 9.528589 34.44026       1.714618  34.95801       2.126687  33.47865       2.898322  385.3321 11.73273 376.9123 16.34696 8.419800       20.12163 
1 1 1 -9  7  6  o 377.7293 9.204848 33.58274       1.635560  33.26417       2.017520  34.19347       2.793483  375.8601 11.41096 380.8901 15.59111 -5.029938      19.32079 
1 1 1 -9  7  7  o 835.9003 11.78915 164.5614       4.635604  164.7146       7.543267  164.4683       5.876116  835.3701 19.19602 835.3248 14.95429 0.4528809E-01  24.33347 
1 1 1 -9  7  8  o 304.4002 9.854888 21.81446       1.411127  23.32185       2.055290  20.47021       1.940889  314.5934 13.88846 294.7289 13.99937 19.86450       19.71983 
1 1 1 -9  7  9  o 712.2195 10.02995 119.4144       3.360332  122.0577       4.835829  116.9463       4.672816  719.7276 14.28346 704.5128 14.10005 15.21484       20.07059 
1 1 1 -9  7  10 o 512.1686 11.01019 61.75216       2.652633  61.53561       3.513443  62.03925       4.045313  511.0964 14.61372 513.0568 16.76167 -1.960419      22.23768 
1 1 1 -9  7  11 o 936.6370 11.82360 206.5049       5.209429  211.9979       7.653660  201.7635       7.110752  948.5925 17.15221 925.4849 16.33341 23.10754       23.68499 
1 1 1 -9  7  12 o 816.5057 11.74076 156.9110       4.509460  153.6035       6.428312  160.1156       6.327562  807.5584 16.92208 824.5402 16.31380 -16.98175      23.50525 
1 1 1 -9  7  13 o 425.7601 12.20240 42.66480       2.443878  47.98048       3.908485  39.25240       3.131553  451.3058 18.41062 408.2680 16.30591 43.03784       24.59336 
1 1 1 -9  7  14 o 592.5214 16.47559 82.67993       4.592132  0.000000       0.000000  82.67993       4.592132  ?        ?        592.5214 16.47559 0.000000       16.47559 
1 1 1 -9  7  15 o 815.8128 12.69887 156.6665       4.873320  152.8806       6.963110  160.3015       6.822860  805.5344 18.37596 824.9130 17.58284 -19.37860      25.43289 
1 1 1 -9  7  16 o 1564.691 17.16461 576.7936       12.63373  597.8314       18.57110  558.6699       17.23699  1591.529 24.80584 1538.728 23.81389 52.80078       34.38650 
1 1 1 -9  7  17 o 858.3299 15.35170 173.5411       6.198404  171.8618       8.014556  176.0404       9.777799  853.7237 19.95689 863.5408 24.07071 -9.817139      31.26781 
1 1 1 -9  7  18 o 433.8263 20.47648 44.40258       4.178693  44.60673       4.922929  43.87634       7.904043  433.8894 24.21649 427.6576 39.74484 6.231812       46.54128 
1 1 1 -9  7  19 o 158.6893 35.33267 6.218593       2.569745  6.445454       3.881612  6.041582       3.428717  162.4782 47.67483 156.8804 44.43970 5.597763       65.17497 
1 1 1 -9  7  20 o 398.0664 17.96492 37.39437       3.363955  38.13001       5.028594  36.79850       4.525741  400.2556 26.86366 393.5584 24.56901 6.697205       36.40457 
1 1 1 -9  7  21 o 575.9258 16.02991 78.27309       4.342770  82.01545       6.491899  75.24198       5.842510  588.4231 23.45378 563.8359 22.02812 24.58722       32.17635 
1 1 1 -9  7  22 f 668.5667 15.80664 105.5624       4.971111  105.6507       7.157469  105.4801       6.909513  667.3728 22.79931 667.0236 22.02099 0.3491821      31.69752 
1 1 1 -9  7  23 o 518.4160 17.11349 63.59575       4.173363  76.74184       6.366724  53.69166       5.526181  567.8728 23.83393 474.1271 24.86438 93.74573       34.44261 
1 1 1 -9  7  24 o 293.6018 24.33816 20.71919       3.331059  20.63199       4.809474  20.79959       4.618013  289.3328 36.12418 291.1349 34.38403 -1.802124      49.87201 
1 1 1 -9  7  25 o 272.9856 31.36354 18.28819       3.954337  20.77703       4.703940  12.29192       7.301363  289.6700 35.24804 212.1338 66.07440 77.53621       74.88825 
1 1 1 -9  7  26 o 170.2181 38.80408 7.471040       3.038028  9.940157       4.435753  5.289499       4.169444  193.2379 48.78993 146.2876 50.20654 46.95035       70.00825 
1 1 1 -9  7  27 o 167.1133 39.39407 7.297152       3.046232  13.65961       4.576092  2.234108       4.082142  227.6906 44.31938 118.2508 47.67030 109.4398       65.08967 
1 1 1 -9  7  28 o 528.1868 18.33294 66.82417       4.555006  65.60760       6.502811  67.99610       6.382379  517.4551 26.80716 528.2221 25.68602 -10.76697      37.12675 
1 1 1 -9  7  29 f 281.6347 29.13246 19.80499       3.803724  19.22713       4.871586  20.70749       6.088064  271.2751 39.32242 274.6355 48.91856 -3.360382      62.76367 
1 1 1 -9  7  30 o 122.9708 43.22805 3.820819       3.099835  4.666585       4.432416  3.011146       4.336806  136.3383 51.11860 122.7977 49.26430 13.54062       70.99354 
1 1 1 -9  7  31 o 330.2862 24.52795 27.02910       3.783634  26.19547       5.082045  28.06584       5.667423  317.4035 34.59788 325.8475 37.66879 -8.444031      51.14637 
1 1 1 -9  7  32 o 136.2188 45.31597 5.282139       3.396382  9.845423       6.033835  3.165709       4.109194  172.4149 60.32724 118.9650 47.87376 53.44991       77.01476 
1 1 1 -9  7  33 o 221.3571 37.43127 13.55920       3.758643  9.747326       6.463873  15.50653       4.620009  164.6250 61.72990 230.4665 44.22372 -65.84143      75.93628 
1 1 1 -9  7  34 o 99.61261 41.36040 2.002282       3.188225  1.290725       5.056683  2.471785       4.107523  107.3225 48.17752 108.5483 46.11951 -1.225754      66.69395 
1 1 1 -9  7  35 o 127.7702 47.28418 5.514135       3.768112  0.8183711      4.721209  13.75446       6.254207  99.49393 45.40985 177.9960 61.46741 -78.50211      76.42184 
1 1 1 -9  9  1  o 822.4890 12.12938 159.3037       4.692865  160.5653       5.654074  156.5101       8.413653  825.5190 14.56013 814.1216 21.96980 11.39740       26.35658 
1 1 1 -9  9  2  o 817.6507 10.20187 157.3836       3.923889  162.1054       5.594378  152.8113       5.505133  829.4676 14.33782 805.3192 14.53217 24.14844       20.41463 
1 1 1 -9  9  3  o 466.5746 10.13278 51.24782       2.223920  52.16202       2.713123  49.37575       3.882494  470.6191 12.25549 457.5238 18.03964 13.09537       21.80884 
1 1 1 -9  9  4  o 1088.581 12.22017 279.0953       6.257595  275.8302       7.176926  289.4471       12.77906  1081.951 14.10138 1106.301 24.55592 -24.35010      28.31682 
1 1 1 -9  9  5  o 560.2281 9.520680 73.88074       2.509009  75.30604       2.857590  69.08443       5.242045  565.5419 10.74152 540.9088 20.60191 24.63312       23.23400 
1 1 1 -9  9  6  o 361.6363 12.24965 30.80013       2.083843  30.76695       2.657138  30.85313       3.358582  361.2927 15.63456 361.0222 19.85293 0.2705688      25.27011 
1 1 1 -9  9  7  o 688.4709 10.12043 111.5740       3.277584  112.7370       4.278725  109.9224       5.098776  691.8571 13.14706 682.9523 15.87107 8.904724       20.60913 
1 1 1 -9  9  8  o 289.5890 11.85616 19.74307       1.615085  19.94352       2.295277  19.54648       2.273036  290.4265 16.87352 287.5106 16.88077 2.915833       23.86789 
1 1 1 -9  9  9  o 433.4138 10.51829 44.20888       2.144457  43.97538       2.817666  44.53032       3.305964  432.1708 13.86005 434.8064 16.16341 -2.635559      21.29218 
1 1 1 -9  9  10 o 1056.818 13.80282 262.9286       6.861787  261.6521       8.645668  265.1011       11.27931  1053.962 17.43831 1060.358 22.61314 -6.395996      28.55606 
1 1 1 -9  9  11 o 162.7898 29.06325 6.443673       2.143917  6.783789       2.409051  5.148633       4.700826  166.7022 31.88286 154.3784 53.29124 12.32384       62.10051 
1 1 1 -9  9  12 o 832.4245 11.69705 163.0755       4.580265  163.4954       6.665140  162.6997       6.304814  833.2186 17.00517 831.2415 16.12411 1.977173       23.43422 
1 1 1 -9  9  13 o 1305.436 14.68064 401.2118       9.015084  399.7976       12.81978  402.5953       12.67988  1302.479 20.92379 1307.065 20.62285 -4.585938      29.37868 
1 1 1 -9  9  14 o 1215.734 14.36895 347.9836       8.217374  357.3949       12.09749  339.9213       11.19693  1231.367 20.88518 1201.017 19.81895 30.35071       28.79204 
1 1 1 -9  9  15 o 550.5056 14.52392 71.36143       3.761100  82.37218       8.003177  68.24037       4.260940  590.4548 28.81419 538.2263 16.82950 52.22858       33.36899 
1 1 1 -9  9  16 o 711.6039 13.04405 119.2257       4.366366  115.3899       6.463996  122.4446       5.921547  699.6006 19.64182 720.8479 17.46314 -21.24731      26.28235 
1 1 1 -9  9  17 o 366.1084 16.34950 31.58438       2.815682  35.37731       4.483584  29.11440       3.618129  386.2111 24.81049 350.5470 22.05403 35.66409       33.19549 
1 1 1 -9  9  18 o 110.9437 37.49454 2.727275       2.324761  -2.376580      3.708000  6.032811       2.984087  88.26593 40.26899 156.2088 40.33209 -67.94287      56.99359 
1 1 1 -9  9  19 o 749.9858 17.46754 132.6892       6.162461  131.7384       7.286590  135.0773       11.54847  746.8403 20.74088 753.9424 32.56245 -7.102051      38.60696 
1 1 1 -9  9  20 o 192.7816 33.53080 9.104639       2.930323  14.85434       5.736886  7.074983       3.408512  243.1279 51.75010 168.4045 42.90552 74.72343       67.22318 
1 1 1 -9  9  21 f 478.6290 16.35320 54.09846       3.681891  51.51411       5.432806  56.29372       5.007160  465.1768 24.91826 487.4778 21.83571 -22.30093      33.13183 
1 1 1 -9  9  22 o 187.7892 38.80816 8.823317       3.314825  11.73008       6.403511  7.759257       3.874324  212.9140 60.87786 174.9882 46.33573 37.92581       76.50565 
1 1 1 -9  9  23 o 168.7593 37.74705 7.177646       2.921505  7.064733       4.307466  7.273836       3.975710  167.1239 50.51287 168.9319 47.85333 -1.807953      69.58083 
1 1 1 -9  9  24 f 762.7392 15.90386 137.8277       5.706211  139.2449       8.249325  136.5275       7.901509  763.6672 22.96386 756.5473 22.20264 7.119873       31.94208 
1 1 1 -9  9  25 o 402.0585 20.98216 38.70599       3.954580  44.70512       5.741732  33.29197       5.454553  428.9962 28.61669 368.5539 31.77266 60.44238       42.75999 
1 1 1 -9  9  26 o 381.7276 23.78799 35.21540       4.250266  20.02676       6.980468  44.16386       5.357956  270.3625 56.69786 426.1193 26.86755 -155.7568      62.74163 
1 1 1 -9  9  27 o 86.96999 38.15824 -0.3312834     2.996479  2.395945       4.307331  -2.888932      4.171266  121.0154 48.90327 89.00468 41.35653 32.01068       64.04602 
1 1 1 -9  9  28 o 168.0400 45.12754 7.661547       3.642618  11.06421       6.810319  6.298020       4.311118  193.1931 64.16443 153.1205 51.06052 40.07259       82.00153 
1 1 1 -9  9  29 o 190.3761 37.01825 9.504278       3.195732  9.943009       4.612636  9.099294       4.431688  187.2830 50.98727 179.4931 50.41065 7.789902       71.70032 
1 1 1 -9  9  30 o 126.0103 43.38003 4.119319       3.113858  0.5562196      4.422592  7.622051       4.384968  107.0303 46.67340 162.8795 51.28268 -55.84918      69.34206 
1 1 1 -9  9  31 o 349.4492 26.96264 30.62606       4.397898  31.39120       7.566960  30.23577       5.404399  330.3784 50.27600 340.9667 34.15433 -10.58835      60.77988 
1 1 1 -9  9  32 o 141.6248 46.01685 5.854330       3.509874  -2.428360      5.875953  10.44898       4.376420  102.9835 48.25491 185.8555 49.26270 -82.87203      68.95905 
1 1 1 -9  9  33 o 99.76604 41.68235 1.746813       3.266826  0.4732462      5.286665  2.533521       4.155064  107.3766 48.63319 111.4223 46.81015 -4.045776      67.50094 
1 1 1 -9  9  34 o 165.7943 61.91584 11.37634       6.489944  0.000000       0.000000  11.37634       6.489944  ?        ?        165.7943 61.91584 0.000000       61.91584 
1 1 1 -9  9  35 o 219.7493 57.20049 18.56718       5.970312  18.56718       5.970312  0.000000       0.000000  219.7493 57.20049 ?        ?        0.000000       57.20049 
1 1 1 -9  11 1  o 686.9866 11.59346 111.1085       3.746543  116.4133       4.591177  100.5351       6.481821  703.0508 13.88251 652.7665 21.10910 50.28436       25.26496 
1 1 1 -9  11 2  o 483.5058 13.57036 55.05460       3.086472  0.000000       0.000000  55.05460       3.086472  ?        ?        483.5058 13.57036 0.000000       13.57036 
1 1 1 -9  11 3  o 1111.527 12.27024 290.8799       6.415676  313.7178       9.651882  272.8018       8.587394  1153.702 17.78481 1075.941 16.96694 77.76050       24.58000 
1 1 1 -9  11 4  o 463.2913 10.53038 50.51781       2.294919  51.11280       2.659154  48.78122       4.542958  465.9595 12.13182 454.7822 21.23567 11.17734       24.45680 
1 1 1 -9  11 5  o 762.1152 10.61706 136.6949       3.806223  139.7866       4.389126  127.3187       7.643462  770.6133 12.10800 734.7472 22.11479 35.86615       25.21245 
1 1 1 -9  11 6  o 168.9405 16.00960 6.781537       1.257098  6.192736       1.329446  11.75387       3.863371  161.1554 17.83610 219.5408 38.83010 -58.38541      42.73059 
1 1 1 -9  11 7  o 1133.106 13.00956 302.2124       6.934300  294.3081       8.903233  314.4009       11.05582  1117.894 16.93081 1155.092 20.34723 -37.19849      26.47002 
1 1 1 -9  11 8  f 1498.840 15.53430 528.9190       10.95258  542.7941       15.46672  514.9627       15.51194  1517.648 21.66496 1478.140 22.30906 39.50781       31.09767 
1 1 1 -9  11 9  o 582.7625 11.23939 79.91798       3.081086  84.88744       3.947979  72.17599       4.927731  600.5241 13.97575 553.5568 18.92411 46.96735       23.52538 
1 1 1 -9  11 10 o 714.1268 10.78959 120.0037       3.624511  120.9494       5.081022  119.0239       5.171851  716.7747 15.06951 711.0289 15.46285 5.745728       21.59143 
1 1 1 -9  11 11 o 377.4163 11.35709 33.52084       2.016309  34.94783       3.067041  32.43467       2.675813  385.2390 16.92466 371.1690 15.32550 14.07001       22.83233 
1 1 1 -9  11 12 o 700.0087 11.36284 115.3184       3.741619  113.0402       5.430126  117.3778       5.162880  692.8282 16.66153 706.0529 15.54481 -13.22467      22.78701 
1 1 1 -9  11 13 o 599.2762 12.78113 84.53604       3.603011  78.71582       6.285806  87.38404       4.397043  577.7516 23.12866 609.1794 15.34427 -31.42780      27.75575 
1 1 1 -9  11 14 o 774.2106 12.16164 141.0933       4.429152  142.3692       6.655878  140.0792       5.933681  777.3168 18.20279 771.1730 16.35698 6.143799       24.47227 
1 1 1 -9  11 15 o 889.2393 14.78228 186.2316       6.183431  184.3341       10.78082  187.1618       7.548459  883.4794 25.94097 891.1714 18.00644 -7.692017      31.57793 
1 1 1 -9  11 16 o 1072.448 15.72224 270.9778       7.931582  275.0558       10.55830  265.6956       12.01656  1079.798 20.78654 1060.725 24.08285 19.07300       31.81295 
1 1 1 -9  11 17 o 599.6481 13.42724 84.69536       3.787499  86.67050       5.951191  83.35071       4.910305  605.9802 20.87739 594.5645 17.55659 11.41565       27.27818 
1 1 1 -9  11 18 o 240.1870 21.68662 13.73907       2.423824  13.70278       4.035007  13.75957       3.031768  237.0220 37.43254 239.4875 27.40525 -2.465530      46.39227 
1 1 1 -9  11 19 o 332.2541 20.80777 26.19629       3.235710  31.62901       6.065065  24.03482       3.825619  362.2628 36.07083 317.4076 25.84658 44.85522       44.37511 
1 1 1 -9  11 20 o 276.3099 20.71513 18.16811       2.672890  17.85700       4.214505  18.37745       3.457102  271.3292 33.74955 276.8177 26.88829 -5.488434      43.15105 
1 1 1 -9  11 21 f 673.7433 14.85832 107.1876       4.709051  104.3809       7.038093  109.4625       6.336269  663.1581 22.56153 679.8126 19.81413 -16.65448      30.02703 
1 1 1 -9  11 22 o 234.6379 27.60426 13.33710       2.988540  20.30325       4.646347  8.421523       3.903034  288.0074 35.01607 181.6551 45.71229 106.3522       57.58245 
1 1 1 -9  11 23 o 107.8711 39.56551 2.361438       2.628678  3.270908       4.111690  1.732751       3.418563  129.7187 49.10405 110.0909 43.88542 19.62783       65.85695 
1 1 1 -9  11 24 o 134.8316 39.31848 4.592462       2.647420  4.914679       4.206242  4.381077       3.406886  144.0829 50.37158 134.8782 45.39069 9.204697       67.80569 
1 1 1 -9  11 25 f 619.1852 18.64762 91.39021       5.431418  89.86327       9.929573  92.04213       6.488092  602.9465 35.16178 619.6402 22.25913 -16.69373      41.61514 
1 1 1 -9  11 26 o 208.8510 41.66814 11.37938       3.950152  11.81204       4.769166  10.43401       7.049675  209.2251 49.27129 192.4858 65.29134 16.73926       81.79620 
1 1 1 -9  11 27 o 304.2246 24.62334 22.58244       3.493574  18.91997       5.020628  26.02053       4.864394  270.0055 40.80158 322.5556 32.50228 -52.55014      52.16481 
1 1 1 -9  11 28 o 261.8355 30.83179 17.19962       3.724714  9.417850       4.663115  30.91558       6.190846  183.0915 51.81185 346.3387 38.65929 -163.2471      64.64525 
1 1 1 -9  11 29 o 240.3836 34.64805 14.87954       3.804742  22.80024       7.141176  11.73990       4.496013  281.1356 55.96640 205.4978 47.46712 75.63773       73.38506 
1 1 1 -9  11 30 o 118.1111 47.02710 2.871525       3.921294  0.6723013      4.751939  7.565399       6.942277  110.2142 48.21214 161.9727 63.15415 -51.75850      79.45349 
1 1 1 -9  11 31 o 86.34633 38.66209 -0.5085359     3.234417  -2.175089      5.543898  0.3514394      3.982434  102.4715 47.63525 99.74599 43.87148 2.725494       64.75974 
1 1 1 -9  11 32 o 185.3994 51.73413 10.80117       4.683208  11.35256       6.467173  10.19322       6.790785  178.5467 62.45690 169.0566 63.29518 9.490097       88.92213 
1 1 1 -9  11 33 o 92.83079 41.23632 0.3982932      3.603502  1.163793       4.724217  -0.6667658     5.572423  105.8457 47.10656 103.4694 47.98193 2.376320       67.24056 
1 1 1 -9  11 34 o 128.5912 45.97032 5.350183       3.519485  8.293698       4.659148  1.438466       5.371024  150.7792 52.99718 107.2790 48.75771 43.50020       72.01399 
1 1 1 -9  13 1  o 1337.105 13.91716 420.8135       8.753576  424.0896       12.46504  417.6259       12.29556  1341.800 19.74860 1331.548 19.63009 10.25281       27.84507 
1 1 1 -9  13 2  o 979.0774 11.46944 225.5736       5.282368  230.3405       7.533453  220.9630       7.408897  989.1256 16.19099 968.7780 16.25773 20.34766       22.94476 
1 1 1 -9  13 3  o 551.8896 14.80202 71.69680       3.842754  0.000000       0.000000  71.69680       3.842754  ?        ?        551.8896 14.80202 0.000000       14.80202 
1 1 1 -9  13 4  o 351.6783 11.98034 29.10452       1.981911  30.18280       2.273381  25.68966       4.045712  358.1081 13.49550 329.0204 26.36121 29.08771       29.61489 
1 1 1 -9  13 5  o 247.1868 18.81732 14.47291       2.171591  14.30487       2.625869  14.83650       3.862645  245.3049 23.02554 248.3615 33.95134 -3.056656      41.02278 
1 1 1 -9  13 6  o 446.5520 10.21842 46.91903       2.146472  45.82177       2.326132  53.21047       5.569983  441.2825 11.20594 474.4398 25.04639 -33.15723      27.43893 
1 1 1 -9  13 7  o 831.7036 10.81428 162.7661       4.230927  162.5707       4.677735  163.6445       9.919827  831.1641 11.96409 833.1396 25.31145 -1.975586      27.99659 
1 1 1 -9  13 8  o 1028.842 12.79100 249.1190       6.190452  249.0628       7.935005  249.2064       9.895238  1028.520 16.40081 1028.525 20.45230 -0.4760742E-02 26.21609 
1 1 1 -9  13 9  o 109.1390 28.77265 2.911900       1.498160  4.663414       1.682881  -3.778402      3.289042  138.2647 26.84242 75.18077 35.49785 63.08395       44.50408 
1 1 1 -9  13 10 o 1155.918 13.46802 314.5074       7.323185  317.3976       10.14830  311.3672       10.57817  1160.809 18.58503 1149.637 19.56052 11.17200       26.98180 
1 1 1 -9  13 11 f 537.2402 11.20571 67.92487       2.831894  66.75209       3.902781  69.22895       4.115486  532.4377 15.58246 542.2039 16.13575 -9.766174      22.43158 
1 1 1 -9  13 12 o 883.1151 18.01084 183.7320       7.482048  178.5375       9.301969  193.2521       12.59277  870.1204 22.72617 904.4485 29.59838 -34.32806      37.31679 
1 1 1 -9  13 13 o 117.8897 27.51116 3.414340       1.497801  5.745893       2.913939  2.577124       1.746130  152.8475 40.04670 104.5426 32.27144 48.30489       51.43135 
1 1 1 -9  13 14 o 274.7730 15.02432 17.83565       1.934593  18.81853       3.443209  17.38224       2.338628  281.0341 26.35342 270.9397 18.45928 10.09442       32.17526 
1 1 1 -9  13 15 o 374.6896 14.03938 33.06659       2.474509  40.47411       4.200283  29.12901       3.062363  413.5793 21.66525 350.9981 18.61390 62.58118       28.56327 
1 1 1 -9  13 16 o 190.3525 24.04030 8.696933       2.104623  18.62961       6.003075  7.304978       2.247259  275.0271 48.15579 173.4217 28.54047 101.6054       55.97802 
1 1 1 -9  13 17 o 194.3589 23.10703 9.055281       2.071204  13.11799       3.879258  7.435338       2.449574  231.8963 36.79033 174.4456 30.98629 57.45064       48.10072 
1 1 1 -9  13 18 o 657.8315 13.54574 102.0043       4.191666  103.6909       6.529151  100.8217       5.467074  662.2405 20.95905 653.4908 17.78468 8.749634       27.48776 
1 1 1 -9  13 19 f 160.3343 30.00193 6.317613       2.179617  6.306137       3.877481  6.322914       2.635398  159.9487 47.83154 159.3993 35.99810 0.5494232      59.86418 
1 1 1 -9  13 20 o 536.1061 20.32766 68.09572       5.126340  70.84212       6.030308  60.93936       9.734275  546.1467 23.47258 499.7303 41.79303 46.41641       47.93349 
1 1 1 -9  13 21 o 220.1905 25.81017 11.71690       2.622653  8.691645       4.263508  13.55851       3.326476  184.2996 48.51466 235.8664 30.70938 -51.56682      57.41723 
1 1 1 -9  13 22 o 341.5311 19.18283 27.77937       3.069376  27.01936       4.894434  28.27200       3.940522  333.3016 31.59471 343.2080 24.57025 -9.906372      40.02403 
1 1 1 -9  13 23 o 144.2623 44.59980 5.233487       3.333649  0.000000       0.000000  5.233487       3.333649  ?        ?        144.2623 44.59980 0.000000       44.59980 
1 1 1 -9  13 24 o 103.7152 38.96007 2.101199       2.577032  1.702375       4.135837  2.354315       3.294832  116.1918 47.55790 113.2809 43.69079 2.910927       64.58048 
1 1 1 -9  13 25 o 406.1162 32.48582 40.74911       6.154078  41.85494       8.206519  39.32818       9.302513  403.8637 43.90438 384.4906 52.82942 19.37311       68.69165 
1 1 1 -9  13 26 f 213.6929 30.26801 11.40034       2.957512  11.27930       4.474972  11.49421       3.940862  204.7585 47.39674 209.6565 41.42793 -4.897980      62.95017 
1 1 1 -9  13 27 o 183.6460 38.00830 8.799065       3.175234  12.52544       4.522165  5.175386       4.459412  215.7370 45.96749 143.7525 51.70824 71.98453       69.18636 
1 1 1 -9  13 28 o 160.4205 39.25379 6.847793       2.937984  2.955870       4.310941  10.22325       4.014728  123.6360 49.28262 193.8162 44.91340 -70.18027      66.67825 
1 1 1 -9  13 29 o 99.01427 40.05531 1.552262       2.893040  -1.780776      4.206353  4.544249       3.985340  92.79527 42.54354 133.6496 48.76298 -40.85435      64.71307 
1 1 1 -9  13 30 o 111.4467 43.58259 2.653589       3.313647  0.9589775      5.502669  3.617742       4.150602  116.9433 51.49914 124.6806 48.77174 -7.737289      70.92844 
1 1 1 -9  13 31 o 71.17552 34.07733 -3.534779      3.249035  -4.114150      5.791835  -3.268741      3.924726  97.10447 46.21685 80.98946 38.39972 16.11501       60.08774 
1 1 1 -9  13 32 o 109.5789 42.57315 2.944797       3.146153  -1.198276      5.114912  5.466266       3.990283  99.54090 46.09294 134.8923 48.85761 -35.35140      67.16863 
1 1 1 -9  13 33 o 99.52615 43.18926 1.446948       3.748875  0.6991677      4.886301  2.516944       5.844995  103.3009 46.77418 116.7211 52.13840 -13.42019      70.04453 
1 1 1 -9  15 1  o 839.4819 15.75377 165.8916       6.221071  0.000000       0.000000  165.8916       6.221071  ?        ?        839.4819 15.75377 0.000000       15.75377 
1 1 1 -9  15 2  o 356.0736 10.55922 29.83211       1.768647  28.44715       2.218412  32.24800       2.929974  347.6671 13.56468 370.1026 16.82954 -22.43552      21.61559 
1 1 1 -9  15 3  o 518.0715 10.26411 63.15065       2.501384  59.43649       3.224060  68.76718       3.964672  502.5351 13.63853 540.4896 15.59375 -37.95447      20.71653 
1 1 1 -9  15 4  o 943.5880 13.59984 209.5517       6.036502  223.4378       7.559043  185.1070       10.02927  974.1987 16.49491 886.2228 24.05787 87.97583       29.16956 
1 1 1 -9  15 5  o 1295.559 14.13672 395.0705       8.615393  390.9090       9.747537  409.9287       18.41824  1288.577 16.08108 1318.034 29.70653 -29.45703      33.77986 
1 1 1 -9  15 6  o 261.6454 14.52676 16.16426       1.780902  17.02732       1.932150  11.29013       4.591657  268.5023 15.36139 214.0865 46.89205 54.41580       49.34406 
1 1 1 -9  15 7  o 717.3538 10.58830 121.0886       3.572968  121.8402       3.924645  117.4495       8.635665  719.5443 11.59508 705.6860 26.01447 13.85828       28.48154 
1 1 1 -9  15 8  o 367.5527 11.29251 31.79186       1.952448  31.79186       1.952448  0.000000       0.000000  367.5527 11.29251 ?        ?        0.000000       11.29251 
1 1 1 -9  15 9  o 521.0331 11.88110 63.89264       2.911998  64.18416       3.379871  63.05290       5.736372  522.1627 13.76021 517.1064 23.58240 5.056274       27.30335 
1 1 1 -9  15 10 o 95.88415 32.86246 1.983783       1.786084  2.087458       1.982360  1.536637       4.116892  99.42511 34.59044 118.9982 47.90751 -19.57304      59.08999 
1 1 1 -9  15 11 o 261.7322 17.74478 16.21348       2.171818  16.15132       2.637994  16.34424       3.826116  260.8241 21.69783 260.9965 31.82298 -0.1723633     38.51620 
1 1 1 -9  15 12 o 729.9136 11.80370 125.4130       4.052835  127.1635       5.753030  123.6885       5.710357  734.6884 16.64654 724.5728 16.75375 10.11560       23.61769 
1 1 1 -9  15 13 o 340.0048 19.10713 27.34201       3.043587  27.30905       3.429259  27.46433       6.605857  339.5396 21.58249 337.0991 42.61003 2.440552       47.76419 
1 1 1 -9  15 14 o 608.5104 12.03598 87.18790       3.445234  84.99249       5.231487  88.86922       4.578197  600.3459 18.52483 614.1003 15.84842 -13.75446      24.37913 
1 1 1 -9  15 15 o 603.2438 12.29820 85.70593       3.489825  87.82460       5.452229  84.23550       4.542186  610.0847 18.99830 597.7545 16.15373 12.33020       24.93749 
1 1 1 -9  15 16 o 169.5275 22.40948 6.912004       1.743265  2.598228       3.267642  8.628237       2.061074  118.1625 43.97197 189.5304 23.63110 -71.36785      49.91956 
1 1 1 -9  15 17 o 658.5222 14.47256 102.2676       4.483167  105.3805       9.385874  101.3474       5.102916  665.5598 29.97908 655.2839 16.55464 10.27594       34.24618 
1 1 1 -9  15 18 o 423.0754 15.32898 42.25026       3.050707  48.75149       6.545636  40.44619       3.448103  450.9489 31.04627 413.6960 17.71861 37.25290       35.74660 
1 1 1 -9  15 19 o 346.3437 25.23761 28.68595       4.083439  31.33642       4.685324  20.31213       8.327986  361.4633 27.76760 278.4310 64.80035 83.03229       70.49911 
1 1 1 -9  15 20 o 408.7306 15.98890 39.50990       3.074150  41.06515       5.474895  38.79378       3.715087  413.3581 28.32745 404.4640 19.52630 8.894135       34.40524 
1 1 1 -9  15 21 f 210.6539 28.92126 10.84466       2.790237  0.000000       0.000000  10.84466       2.790237  ?        ?        210.6539 28.92126 0.000000       28.92126 
1 1 1 -9  15 22 o 295.2699 18.98490 20.81141       2.622941  24.60706       4.529234  18.89612       3.217358  317.6180 30.69719 279.8534 24.69311 37.76462       39.39628 
1 1 1 -9  15 23 o 497.7510 15.85662 58.78857       3.712720  54.26057       5.618303  62.29879       4.946736  474.3774 25.26853 510.8614 20.58479 -36.48395      32.59190 
1 1 1 -9  15 24 o 398.6240 23.27118 38.30863       4.344700  0.000000       0.000000  38.30863       4.344700  ?        ?        398.6240 23.27118 0.000000       23.27118 
1 1 1 -9  15 25 o 66.41335 30.94273 -1.981928      2.360381  -2.510631      3.835155  -1.659545      2.994766  86.68405 40.05940 78.91302 36.07472 7.771027       53.90864 
1 1 1 -9  15 26 o 85.05259 35.59216 0.5530652      2.387353  1.843755       3.914033  -0.2115993     3.012652  113.4225 46.32639 88.01171 38.44685 25.41076       60.20211 
1 1 1 -9  15 27 o 125.5511 45.70495 3.725023       3.498317  5.672359       4.178156  -0.8415577     6.398229  146.9381 50.26267 120.1065 54.03128 26.83160       73.79509 
1 1 1 -9  15 28 o 340.6849 21.31310 28.19707       3.398438  32.79691       5.273801  24.93055       4.444212  361.0478 31.36362 315.1552 30.35323 45.89255       43.64625 
1 1 1 -9  15 29 o 342.0398 24.05867 28.83434       3.846303  26.28122       6.760695  30.05619       4.676971  306.4321 48.51753 345.7105 29.02831 -39.27841      56.53843 
1 1 1 -9  15 31 o 330.3247 28.46547 28.01883       4.379930  22.30381       5.686367  36.35553       6.867882  278.0912 45.00663 360.8991 41.19258 -82.80789      61.01168 
1 1 1 -9  15 32 o 169.9857 45.00912 8.850178       3.655756  5.876933       4.839852  12.80024       5.578516  136.2583 52.84093 190.4450 57.46716 -54.18672      78.06817 
1 1 1 -9  17 1  o 972.7420 11.79607 222.6742       5.397644  215.9397       7.255263  231.0219       8.077629  957.6955 16.10484 990.4963 17.33651 -32.80078      23.66264 
1 1 1 -9  17 2  o 409.3095 16.75356 39.44801       3.225732  0.000000       0.000000  39.44801       3.225732  ?        ?        409.3095 16.75356 0.000000       16.75356 
1 1 1 -9  17 3  o 687.9265 10.65524 111.3584       3.448059  106.7622       4.560130  117.4945       5.268881  673.4522 14.39465 706.4280 15.85554 -32.97583      21.41505 
1 1 1 -9  17 4  o 832.6805 13.38956 163.2005       5.244621  164.0607       9.253250  162.7934       6.365879  834.2156 23.58015 831.4926 16.27536 2.723022       28.65155 
1 1 1 -9  17 5  o 232.3480 18.22588 12.79381       1.976055  13.18073       2.166891  10.88288       4.815611  235.7074 19.72446 209.8383 49.57443 25.86914       53.35427 
1 1 1 -9  17 6  o 68.10977 29.30474 -0.1578891     1.696520  -1.285623      1.831260  6.670630       4.506196  61.52227 28.15620 167.6301 51.85834 -106.1078      59.00897 
1 1 1 -9  17 7  o 1305.059 16.05516 401.0876       9.856300  401.0876       9.856300  0.000000       0.000000  1305.059 16.05516 ?        ?        0.000000       16.05516 
1 1 1 -9  17 8  o 1109.653 12.84905 289.8566       6.706989  283.3923       7.309046  324.3163       16.87551  1097.109 14.16255 1171.432 30.62461 -74.32251      33.74084 
1 1 1 -9  17 9  o 598.9927 10.73638 84.44257       3.025163  82.66605       3.212766  98.33533       8.984380  592.6293 11.52462 645.0241 29.61030 -52.39478      31.77400 
1 1 1 -9  17 10 o 541.3365 11.07674 68.97614       2.820646  68.63709       3.013516  71.37337       8.013081  539.9748 11.86399 548.3714 31.19277 -8.396606      33.37279 
1 1 1 -9  17 11 o 283.2944 19.47745 19.01369       2.579838  20.26457       3.066892  15.98659       4.770942  292.1702 22.48758 256.1722 40.97235 35.99799       46.73783 
1 1 1 -9  17 12 o 369.8575 15.33577 32.23227       2.668145  32.42432       3.209132  31.80225       4.801925  370.8112 18.39778 365.5413 28.14243 5.269989       33.62253 
1 1 1 -9  17 13 f 538.3049 15.92403 68.30703       4.032280  67.27279       4.539345  72.17599       8.779718  534.0428 18.06957 550.1217 34.09555 -16.07886      38.58777 
1 1 1 -9  17 14 o 189.2139 34.34764 8.778241       2.944571  0.000000       0.000000  8.778241       2.944571  ?        ?        189.2139 34.34764 0.000000       34.34764 
1 1 1 -9  17 15 o 493.1261 12.66300 57.30482       2.937406  55.67529       4.564992  58.45627       3.837354  485.3681 19.99399 497.7328 16.38952 -12.36472      25.85297 
1 1 1 -9  17 16 o 382.0017 13.62761 34.41158       2.448805  33.53364       4.128748  34.88803       3.041537  375.4142 23.49800 384.3745 16.82167 -8.960327      28.89852 
1 1 1 -9  17 17 o 413.9691 14.82415 40.45208       2.886736  33.91796       5.995170  42.42429       3.293704  374.6365 34.40342 423.7556 16.52341 -49.11914      38.16567 
1 1 1 -9  17 18 o 316.0317 15.74165 23.60263       2.340184  20.42122       4.272296  24.96634       2.797133  290.2226 31.81552 324.2386 18.41511 -34.01596      36.76062 
1 1 1 -9  17 19 o 494.6602 13.82730 57.79711       3.217465  58.85359       5.363256  57.20312       4.021488  497.3127 22.92607 491.5030 17.39367 5.809753       28.77750 
1 1 1 -9  17 20 o 144.0742 30.37602 5.177950       1.993813  9.472889       3.993054  3.751487       2.301214  192.1041 44.98006 123.2266 36.84797 68.87746       58.14619 
1 1 1 -9  17 21 o 100.2686 41.91953 0.7208064      3.307147  1.299757       3.758664  -1.263972      6.959351  110.0341 45.22206 128.3798 57.15192 -18.34573      72.87920 
1 1 1 -9  17 22 o 227.1405 22.41735 12.45734       2.363991  11.71303       3.940256  12.87592       2.954875  214.1465 40.60090 229.3552 27.96723 -15.20879      49.30111 
1 1 1 -9  17 23 o 76.46874 33.05311 -0.1108481     2.178455  5.546968       4.923545  -1.488086      2.429170  151.7780 54.36023 70.84400 32.42465 80.93398       63.29607 
1 1 1 -9  17 24 o 133.1053 35.01958 4.539337       2.222257  6.087065       3.882737  3.785348       2.710022  152.9409 48.26875 123.7989 40.44529 29.14203       62.97375 
1 1 1 -9  17 25 o 124.4961 37.46130 3.951441       2.372980  9.440232       3.983874  0.9331859      2.954236  188.0092 45.53014 96.14706 39.85867 91.86219       60.51204 
1 1 1 -9  17 26 o 387.5404 20.24520 36.18320       3.677887  28.53058       5.091978  44.53032       5.318019  337.6921 32.45478 426.4288 26.64502 -88.73676      41.99131 
1 1 1 -9  17 27 o 407.6925 18.41647 39.90045       3.531901  35.45412       5.377744  43.27305       4.683613  376.6241 30.61956 421.1711 23.73707 -44.54700      38.74282 
1 1 1 -9  17 28 o 73.91284 34.94638 -3.028556      3.207360  -4.340889      3.825983  0.7422712E-01  5.882973  77.21831 36.97283 117.3687 52.37629 -40.15038      64.11135 
1 1 1 -9  17 29 o 185.8737 37.28127 9.295231       3.146287  3.900119       5.461417  11.97523       3.849216  132.8077 54.53823 209.3501 40.55161 -76.54236      67.96214 
1 1 1 -9  17 30 o 94.72750 39.22745 1.362313       2.856935  2.835018       4.712836  0.5066965      3.592228  119.4910 50.00607 95.92754 41.94156 23.56350       65.26639 
1 1 1 -9  17 31 o 118.4665 45.31742 3.775532       3.525237  -1.823127      4.871272  9.931630       5.108027  94.72005 44.23832 171.1520 55.50753 -76.43198      70.97968 
1 1 1 -9  19 1  o 1194.098 13.33673 335.6560       7.491323  340.3508       10.55311  330.8872       10.63604  1201.921 18.66531 1185.049 19.07982 16.87268       26.69145 
1 1 1 -9  19 2  o 544.9516 16.38690 69.94108       4.200722  0.000000       0.000000  69.94108       4.200722  ?        ?        544.9516 16.38690 0.000000       16.38690 
1 1 1 -9  19 3  o 609.1606 10.82241 87.32967       3.101166  88.86710       4.208101  85.50220       4.587890  614.3510 14.56130 602.5313 16.18692 11.81976       21.77264 
1 1 1 -9  19 4  o 441.5795 11.36727 45.89371       2.361209  45.73901       3.180356  46.08373       3.524626  440.7112 15.34095 442.3086 16.94019 -1.597382      22.85421 
1 1 1 -9  19 5  o 76.00322 31.64694 0.2808183      1.874123  -1.105318      2.062501  6.846017       4.488644  67.66676 30.53659 169.0798 51.66653 -101.4131      60.01595 
1 1 1 -9  19 6  o 1509.666 16.00056 536.8501       11.36280  548.8018       13.20102  502.6754       22.32265  1526.010 18.38996 1457.393 32.56115 68.61719       37.39545 
1 1 1 -9  19 7  o 314.4464 22.82668 23.45387       3.353423  22.57432       4.095301  25.24376       5.842072  307.7040 28.62142 323.7644 39.15474 -16.06039      48.50031 
1 1 1 -9  19 8  o 305.9659 12.10558 22.04048       1.742320  21.47847       1.829385  27.52676       5.715759  302.0200 12.87657 338.6634 36.45287 -36.64343      38.66029 
1 1 1 -9  19 9  o 530.4214 10.85111 66.23185       2.707475  67.69348       2.904463  56.53984       7.479187  536.2123 11.51489 487.2433 32.82285 48.96902       34.78408 
1 1 1 -9  19 10 o 571.9267 12.29295 77.03223       3.307242  74.93413       3.569750  89.74436       8.786850  564.0133 13.45486 615.3257 30.35700 -51.31238      33.20513 
1 1 1 -9  19 11 o 232.4003 16.68828 12.80185       1.812242  13.07535       1.894701  9.863259       6.210576  234.8184 17.27425 200.2941 60.67949 34.52422       63.09041 
1 1 1 -9  19 12 o 661.2614 13.42391 103.0439       4.175625  103.0793       5.026604  102.9653       7.500499  661.0886 16.16388 659.5868 24.17402 1.501831       29.08014 
1 1 1 -9  19 13 o 104.1520 38.22837 2.092071       2.454623  2.008601       2.626068  2.669441       6.906642  105.1452 39.36192 151.9395 61.73921 -46.79424      73.21947 
1 1 1 -9  19 14 o 496.0580 17.15171 58.11264       4.002296  58.61405       4.514718  56.27230       8.649330  497.9279 19.27502 482.7948 38.40208 15.13312       42.96797 
1 1 1 -9  19 15 o 238.3840 19.98624 13.54278       2.220499  12.91221       3.303419  14.06252       2.999111  230.5267 31.27009 241.7140 26.82940 -11.18729      41.20237 
1 1 1 -9  19 16 f 259.5446 18.15641 16.01468       2.202759  18.86212       3.609280  14.32458       2.780675  279.9286 27.77642 244.2772 24.53042 35.65141       37.05767 
1 1 1 -9  19 17 o 597.3589 12.82427 84.21379       3.603607  87.38065       5.807392  82.23090       4.595324  606.9313 20.34100 589.6168 16.56826 17.31458       26.23478 
1 1 1 -9  19 18 o 374.5291 15.59869 33.18191       2.748166  29.93460       6.923597  33.78921       2.994134  346.7939 43.39133 377.7607 16.84943 -30.96680      46.54794 
1 1 1 -9  19 19 o 845.2058 13.66094 168.8664       5.431406  163.3454       8.025430  173.5321       7.377718  828.6422 20.58884 855.0870 18.34182 -26.44476      27.57395 
1 1 1 -9  19 20 o 98.09980 31.26280 2.296854       1.625738  4.709829       3.531742  1.648082       1.831297  139.2303 46.20502 90.46370 33.04758 48.76660       56.80710 
1 1 1 -9  19 21 o 492.5092 13.55579 57.40414       3.140569  55.61884       5.152348  58.45959       3.961592  482.1198 22.71856 496.1518 16.97407 -14.03198      28.35934 
1 1 1 -9  19 22 o 261.7854 30.30911 16.85821       3.663364  16.30228       4.091512  19.10523       8.225824  255.5767 34.94824 259.7391 66.91252 -4.162384      75.48950 
1 1 1 -9  19 23 o 193.5134 24.47982 9.151989       2.178536  7.938068       4.016527  9.657966       2.593109  172.9554 47.78348 197.5234 28.75197 -24.56799      55.76681 
1 1 1 -9  19 24 o 103.3531 35.54921 2.482671       2.090899  10.54251       3.922528  -0.7164664     2.471265  200.3618 42.91159 76.44395 34.04217 123.9178       54.77475 
1 1 1 -9  19 25 o 468.3579 20.24728 52.67237       4.460812  32.55054       8.287544  60.87991       5.292961  346.1646 52.54581 502.3783 22.39744 -156.2137      57.12012 
1 1 1 -9  19 26 o 83.40049 34.86736 0.5816761      2.288009  -2.401441      3.801071  2.276706       2.865230  85.74223 39.71439 106.4873 40.82677 -20.74503      56.95663 
1 1 1 -9  19 27 o 230.6533 25.34402 13.19249       2.704484  10.83756       4.199081  14.86184       3.535411  197.6948 46.01555 241.5197 31.89901 -43.82495      55.99087 
1 1 1 -9  19 28 o 199.4106 31.22563 10.25928       2.832935  9.405471       5.080132  10.64462       3.412861  176.2048 55.15281 199.3329 37.78016 -23.12817      66.85188 
1 1 1 -9  19 29 o 189.0575 34.44053 9.542918       2.950054  5.321047       4.887335  11.96284       3.700156  138.4170 53.26049 208.8050 39.10843 -70.38799      66.07684 
1 1 1 -9  19 30 o 226.9299 35.72157 14.02739       3.687164  7.728895       4.853704  22.62188       5.669764  154.3708 54.10174 279.1776 44.68003 -124.8069      70.16625 
1 1 1 -9  21 1  o 636.8175 10.62144 95.45669       3.181761  95.23612       4.233021  95.74315       4.824072  635.8901 14.15139 637.4524 16.08780 -1.562256      21.42613 
1 1 1 -9  21 2  o 1285.374 14.05212 389.1362       8.496511  376.7161       11.42934  404.4789       12.70311  1263.931 19.22332 1309.421 20.62346 -45.48962      28.19332 
1 1 1 -9  21 3  o 465.9520 14.61679 51.14417       3.203778  65.57670       6.165021  45.80457       3.749885  526.8412 24.87628 440.7768 18.08548 86.06448       30.75571 
1 1 1 -9  21 4  o 433.1918 21.58705 44.29251       4.398888  0.000000       0.000000  44.29251       4.398888  ?        ?        433.1918 21.58705 0.000000       21.58705 
1 1 1 -9  21 5  o 356.6599 14.65244 29.97028       2.458292  28.93078       2.690442  35.22593       6.049554  350.3477 16.32507 383.7993 33.85501 -33.45154      37.58550 
1 1 1 -9  21 6  o 1357.276 17.09989 434.3626       10.91769  434.3626       10.91769  0.000000       0.000000  1357.276 17.09989 ?        ?        0.000000       17.09989 
1 1 1 -9  21 7  o 1186.876 13.62803 331.8825       7.608654  334.4311       8.528089  321.9382       16.84578  1191.176 15.21971 1164.945 30.74090 26.23120       34.30222 
1 1 1 -9  21 8  o 576.7491 10.73466 78.32608       2.912355  79.10124       3.115209  72.94888       8.204821  579.5522 11.42682 553.3108 31.65465 26.24139       33.65396 
1 1 1 -9  21 9  o 413.2840 11.21949 40.22768       2.181176  40.90338       2.310437  34.69085       6.613784  416.7111 11.78663 379.4095 37.55017 37.30164       39.35657 
1 1 1 -9  21 10 o 101.2785 28.67736 2.498811       1.428109  2.534294       1.476226  1.980975       5.639467  102.0959 29.24226 136.7165 55.69756 -34.62060      62.90730 
1 1 1 -9  21 11 o 503.3557 11.74480 59.69900       2.780929  58.67717       2.943458  68.19263       8.486269  498.9667 12.54056 533.4292 33.99688 -34.46249      36.23608 
1 1 1 -9  21 12 o 276.1076 15.77591 18.05302       2.040499  18.03300       2.145210  18.24316       6.611900  275.8526 16.60937 268.5227 54.21294 7.329834       56.70021 
1 1 1 -9  21 13 o 194.0227 21.38024 9.024567       1.918952  9.692353       2.036904  3.754459       5.722178  201.0679 21.88933 148.1873 57.45903 52.88058       61.48726 
1 1 1 -9  21 14 o 303.9931 20.28495 21.99076       2.884072  21.98413       3.428496  22.00680       5.333820  303.1972 24.24130 299.6006 38.75489 3.596558       45.71195 
1 1 1 -9  21 15 o 416.1858 18.55282 41.02063       3.632172  39.70154       4.073690  46.13556       8.021757  408.4603 21.27519 434.4443 39.69079 -25.98398      45.03324 
1 1 1 -9  21 16 o 247.5269 25.41488 14.76601       2.917237  10.10702       4.385299  18.46443       3.907165  198.5606 47.57403 275.7055 30.64489 -77.14491      56.58973 
1 1 1 -9  21 17 o 172.7123 26.94298 7.303333       2.117517  7.639670       3.328800  7.074731       2.744356  173.2491 41.40905 167.7645 35.86246 5.484573       54.77979 
1 1 1 -9  21 18 o 240.1445 19.62048 13.79614       2.197055  15.23673       3.674013  12.99421       2.741188  249.1337 32.09655 231.6335 25.58458 17.50021       41.04581 
1 1 1 -9  21 19 o 131.9830 31.36766 4.380558       1.918779  2.117420       5.231375  4.732343       2.062524  130.2287 53.41634 137.0476 32.48812 -6.818970      62.52026 
1 1 1 -9  21 20 o 172.7582 22.82984 7.255473       1.809836  2.443786       3.167692  9.587366       2.205203  113.3555 43.05428 198.6628 24.08997 -85.30730      49.33557 
1 1 1 -9  21 21 o 443.2165 13.89143 46.51975       2.896224  43.34888       4.743335  48.40462       3.657086  424.4097 23.85580 451.2809 17.22737 -26.87119      29.42587 
1 1 1 -9  21 22 o 144.0036 29.33494 5.210163       1.919660  8.026160       4.809838  4.676615       2.093636  173.6006 53.55587 135.5257 33.12093 38.07487       62.97005 
1 1 1 -9  21 23 o 347.8780 16.08769 28.78887       2.632631  23.05239       4.476239  31.82245       3.255132  304.9773 31.66307 364.4480 19.05350 -59.47070      36.95384 
1 1 1 -9  21 24 o 214.1811 21.49269 11.14100       2.136208  8.869288       3.780133  12.20688       2.589304  182.0608 44.51142 223.0489 25.11521 -40.98802      51.10813 
1 1 1 -9  21 25 o 386.0822 26.74638 36.65009       4.827585  36.65009       4.827585  0.000000       0.000000  386.0822 26.74638 ?        ?        0.000000       26.74638 
1 1 1 -9  21 26 o 79.97819 34.57360 0.6709916E-01  2.383982  3.641499       5.644001  -0.7091166     2.630127  135.5414 55.52618 78.01434 34.90242 57.52708       65.58457 
1 1 1 -9  21 27 o 198.0295 29.92081 10.03540       2.700319  6.150417       4.389089  12.40153       3.425304  147.7567 51.46608 217.7639 34.59525 -70.00714      62.01282 
1 1 1 -9  21 28 o 151.2033 38.49438 6.317703       2.745116  7.996433       4.519681  5.336436       3.455500  162.2270 52.17147 137.2895 45.71040 24.93756       69.36356 
1 1 1 -9  23 1  o 638.8206 10.77995 96.09486       3.239404  96.69617       4.345319  95.34261       4.860223  640.5234 14.42173 635.8472 16.24928 4.676208       21.72614 
1 1 1 -9  23 2  o 375.3975 11.52092 33.18996       2.034453  32.86419       2.577677  33.72813       3.313114  373.3943 14.67545 378.0183 18.63178 -4.623962      23.71733 
1 1 1 -9  23 3  o 698.2510 11.06656 114.8197       3.634911  115.3727       4.871629  114.1251       5.459541  699.5788 14.80363 695.5720 16.68571 4.006775       22.30606 
1 1 1 -9  23 4  o 467.6515 17.12742 51.60079       3.767764  0.000000       0.000000  51.60079       3.767764  ?        ?        467.6515 17.12742 0.000000       17.12742 
1 1 1 -9  23 5  o 374.5583 13.79384 33.06812       2.430379  34.41864       2.671638  26.58740       5.852457  382.0643 14.86524 331.4056 38.24331 50.65872       41.03079 
1 1 1 -9  23 6  o 242.4029 18.29351 13.95307       2.070585  13.29853       2.243408  17.71700       5.379734  236.3383 20.37846 268.0832 44.20081 -31.74487      48.67231 
1 1 1 -9  23 7  o 274.3486 13.84911 17.79062       1.781511  17.95278       1.882737  16.40309       5.507300  275.5266 14.57823 256.7278 47.34773 18.79877       49.54122 
1 1 1 -9  23 8  o 354.8727 11.19383 29.66984       1.868618  28.39805       1.943699  45.18431       6.788750  347.1455 11.90278 433.8007 33.52856 -86.65521      35.57866 
1 1 1 -9  23 9  o 455.7664 12.14202 48.96074       2.603171  48.61755       2.796456  51.18906       7.125732  454.0878 13.09179 461.7707 33.02244 -7.682922      35.52290 
1 1 1 -9  23 10 o 448.1278 11.54130 47.33110       2.432910  47.43022       2.577621  46.52200       7.364645  448.5406 12.21653 438.9403 35.98424 9.600250       38.00143 
1 1 1 -9  23 11 f 241.2573 17.90968 13.83898       2.018029  14.89210       2.151055  6.105827       5.828956  250.2442 18.40246 165.9041 59.17649 84.34006       61.97183 
1 1 1 -9  23 12 o 566.0123 13.80880 75.61742       3.676640  75.61742       3.676640  0.000000       0.000000  566.0123 13.80880 ?        ?        0.000000       13.80880 
1 1 1 -9  23 13 o 91.53146 33.46556 1.648630       1.878476  1.442314       1.987437  3.376933       5.752240  90.29438 34.14913 144.8646 57.18494 -54.57024      66.60540 
1 1 1 -9  23 14 o 352.2563 15.03004 29.32969       2.490509  28.68790       2.664449  33.76933       7.007812  348.2338 16.26550 370.1620 40.93076 -21.92825      44.04422 
1 1 1 -9  23 15 o 361.0918 21.07983 31.09347       3.565025  33.08561       4.722980  28.45530       5.435105  370.8453 27.26529 341.5121 34.29572 29.33322       43.81316 
1 1 1 -9  23 16 o 68.55402 32.42385 -3.086254      2.765363  -1.478819      3.103189  -9.286565      6.094643  82.76197 37.39269 92.95985 45.04401 -10.19788      58.54210 
1 1 1 -9  23 17 o 465.3159 21.39392 51.56292       4.682821  51.56292       4.682821  0.000000       0.000000  465.3159 21.39392 ?        ?        0.000000       21.39392 
1 1 1 -9  23 18 o 63.52377 30.14007 -2.843554      2.426265  -3.022330      3.045044  -2.532699      4.015302  73.40056 34.50304 90.21897 41.43741 -16.81841      53.92141 
1 1 1 -9  23 19 o 392.8766 15.29712 36.57629       2.827062  36.71378       4.390390  36.47889       3.695059  390.7992 23.99863 390.7804 20.16986 0.1876831E-01  31.34896 
1 1 1 -9  23 20 o 311.3370 19.33977 23.18471       2.818373  21.90547       6.450682  23.48652       3.133250  290.0977 49.01721 312.7766 21.42477 -22.67892      53.49493 
1 1 1 -9  23 21 o 259.0835 19.50048 16.11018       2.359162  9.470869       5.009509  18.00229       2.674280  187.2529 53.93683 273.5475 20.94190 -86.29469      57.85970 
1 1 1 -9  23 22 o 69.07677 29.74909 -0.4704547E-01 1.751737  -2.197069      3.277482  0.8127564      2.072611  80.34528 37.09579 83.18044 33.81271 -2.835159      50.19360 
1 1 1 -9  23 23 o 185.5300 23.65737 8.445230       2.017677  1.830882       3.443710  11.90270       2.489786  108.7200 43.79963 220.4533 24.41929 -111.7333      50.14688 
1 1 1 -9  23 24 o 235.5709 21.00823 13.48165       2.303556  5.882443       3.585676  18.82211       3.005912  148.0357 46.33569 277.7195 23.22226 -129.6838      51.82923 
1 1 1 -9  23 25 o 107.8002 34.28324 2.945596       1.955827  2.531300       3.149702  3.205594       2.495169  110.5791 42.69841 113.5342 38.84212 -2.955086      57.72231 
1 1 1 -9  23 26 o 227.4185 23.07360 12.77793       2.434194  3.342278       3.390903  22.81019       3.496462  118.6841 44.66967 303.4615 24.70832 -184.7773      51.04782 
1 1 1 -9  25 1  o 371.7253 12.41208 32.56728       2.170381  35.61237       2.941330  28.92745       3.215762  388.4420 16.09712 349.2491 19.65388 39.19287       25.40457 
1 1 1 -9  25 2  f 213.7731 23.62130 10.95916       2.335660  10.77586       4.484084  11.02740       2.736146  207.0101 47.10788 213.6494 27.89048 -6.639282      54.74514 
1 1 1 -9  25 4  o 324.3954 13.04069 24.81135       1.989961  24.24418       2.581997  25.64112       3.123022  319.9180 17.22066 328.5880 20.30426 -8.670013      26.62356 
1 1 1 -9  25 5  o 726.5550 13.85154 124.5143       4.734083  124.5143       4.734083  0.000000       0.000000  726.5550 13.85154 ?        ?        0.000000       13.85154 
1 1 1 -9  25 6  o 471.2882 12.53465 52.36915       2.778868  55.81684       3.083385  37.45541       6.412942  486.4619 13.47441 393.8565 34.97786 92.60535       37.48346 
1 1 1 -9  25 7  o 425.7275 11.54382 42.72169       2.311801  42.55322       2.450545  44.08443       6.969410  424.8279 12.26254 427.3381 34.97655 -2.510193      37.06385 
1 1 1 -9  25 8  o 382.8029 34.42378 35.43401       6.132450  0.000000       0.000000  35.43401       6.132450  ?        ?        382.8029 34.42378 0.000000       34.42378 
1 1 1 -9  25 9  o 500.2874 15.09551 59.11196       3.552521  59.46734       4.020977  57.84781       7.583778  501.5045 17.04462 490.0252 33.09410 11.47937       37.22551 
1 1 1 -9  25 10 o 91.33713 35.81036 1.226930       2.241539  1.698727       2.476538  -0.9111179     5.272005  99.51087 38.00313 115.0218 50.53640 -15.51097      63.23105 
1 1 1 -9  25 11 f 371.2091 19.49687 32.74829       3.392577  32.74829       3.392577  0.000000       0.000000  371.2091 19.49687 ?        ?        0.000000       19.49687 
1 1 1 -9  25 12 o 367.8686 14.05727 31.96419       2.432557  32.11493       2.592734  30.85612       7.029756  368.6327 14.95185 352.8762 43.25524 15.75644       45.76651 
1 1 1 -9  25 13 o 188.9660 22.60779 8.612214       1.969707  10.09278       2.111519  -1.312723      5.466953  204.8378 22.27264 114.6719 50.87185 90.16589       55.53391 
1 1 1 -9  25 14 o 225.4864 20.25393 12.17029       2.125405  11.27234       2.254836  19.32521       6.364873  216.4946 22.46827 274.4621 51.18182 -57.96742      55.89635 
1 1 1 -9  25 15 o 306.7144 16.87331 22.35319       2.425104  22.30419       2.598345  22.68431       6.754629  306.1393 18.12368 297.9079 49.96983 8.231384       53.15498 
1 1 1 -9  25 16 o 282.6251 18.05080 19.03046       2.387280  19.79415       2.553227  13.72176       6.731678  288.0764 18.94708 225.9934 61.62437 62.08295       64.47134 
1 1 1 -9  25 17 o 316.6597 26.08768 24.21639       3.851371  24.21639       3.851371  0.000000       0.000000  316.6597 26.08768 ?        ?        0.000000       26.08768 
1 1 1 -9  25 18 o 369.2396 24.86440 32.85508       4.293579  32.85508       4.293579  0.000000       0.000000  369.2396 24.86440 ?        ?        0.000000       24.86440 
1 1 1 -9  25 19 o 214.5519 28.78115 11.33069       2.831526  13.57265       3.759081  8.390311       4.304965  232.6883 35.46431 178.1119 49.56567 54.57648       60.94648 
1 1 1 -9  25 20 o 385.6541 24.85668 35.99320       4.485297  35.99320       4.485297  0.000000       0.000000  385.6541 24.85668 ?        ?        0.000000       24.85668 
1 1 1 -9  25 21 o 249.5366 28.11765 15.34218       3.242997  0.000000       0.000000  15.34218       3.242997  ?        ?        249.5366 28.11765 0.000000       28.11765 
1 1 1 -9  25 22 o 189.3433 28.74498 8.963347       2.479786  10.85046       3.478178  7.012486       3.536441  204.8731 37.47176 161.6405 44.90355 43.23265       58.48471 
1 1 1 -9  25 23 o 142.9381 33.40052 5.306075       2.205364  5.647697       3.338626  5.041617       2.937459  145.1611 44.59268 137.9567 41.71721 7.204376       61.06417 
1 1 1 -9  25 24 o 241.0807 38.96253 15.33676       4.267829  14.59572       6.482511  15.90369       5.670006  218.5588 60.82357 235.6431 52.49617 -17.08435      80.34522 
1 1 1 -9  27 1  o 146.7219 23.11664 5.228344       1.542666  6.245542       1.945942  3.507683       2.530899  159.9239 26.81639 121.8003 39.02699 38.12357       47.35214 
1 1 1 -9  27 2  o 661.7363 14.28566 103.3409       4.446872  106.9857       8.480363  101.9586       5.222467  670.4445 26.88947 656.8542 16.90197 13.59027       31.76036 
1 1 1 -9  27 3  o 105.5461 28.89246 2.741295       1.476383  2.859969       1.780046  2.479707       2.642797  108.6144 32.39186 110.1583 39.78254 -1.543892      51.30188 
1 1 1 -9  27 4  o 353.5761 13.10608 29.49054       2.179842  29.87075       2.868039  28.97047       3.354278  355.4763 17.15162 349.1120 20.51530 6.364288       26.74051 
1 1 1 -9  27 5  o 416.0571 13.46708 40.84377       2.635699  41.77459       2.915622  36.68253       6.164662  420.6397 14.73505 389.6024 33.97714 31.03729       37.03468 
1 1 1 -9  27 6  o 449.9804 12.58111 47.75997       2.663066  47.38172       2.893885  49.85137       6.804702  448.0733 13.72976 455.1445 31.98585 -7.071198      34.80806 
1 1 1 -9  27 7  o 361.9247 11.90345 30.88988       2.026564  30.39794       2.146441  34.92866       6.150161  358.9651 12.71151 379.6281 34.82797 -20.66299      37.07520 
1 1 1 -9  27 8  o 857.1398 18.60634 173.9489       7.502085  176.5458       9.661735  170.0060       11.90525  861.6910 23.83605 842.9147 30.02518 18.77631       38.33625 
1 1 1 -9  27 9  o 82.83708 34.42307 0.4407680      2.210982  1.820901       2.441285  -5.856124      5.214601  100.3673 37.87465 93.37929 44.27068 6.988029       58.26133 
1 1 1 -9  27 10 o 363.5130 12.48972 31.18119       2.135708  32.59697       2.263719  19.71463       6.442319  371.6287 12.94923 278.2835 51.09661 93.34521       52.71192 
1 1 1 -9  27 11 o 235.2446 16.85585 13.16321       1.852898  13.64630       1.955276  8.909038       5.802271  239.4443 17.48016 187.2752 58.99543 52.16917       61.53062 
1 1 1 -9  27 12 o 259.3114 22.29348 16.11230       2.692933  13.85875       2.913927  29.30143       7.049425  239.4483 26.30347 342.5435 44.82443 -103.0951      51.97213 
1 1 1 -9  27 13 o 168.1410 33.16387 7.052588       2.529866  9.011580       2.776063  -2.545482      6.144761  190.9199 32.04618 116.0527 52.50909 74.86718       61.51554 
1 1 1 -9  27 14 f 492.3485 15.02954 57.35870       3.480869  57.90200       3.802452  54.54816       8.648482  494.4026 16.34985 470.4512 39.44418 23.95139       42.69849 
1 1 1 -9  27 15 o 211.3920 22.18723 10.77156       2.173377  10.90852       2.308797  9.705709       6.440735  212.4350 23.49763 192.5727 62.31639 19.86234       66.59933 
1 1 1 -9  27 16 o 234.5596 20.88352 13.21767       2.280129  13.99076       2.432857  7.633770       6.538361  241.1813 21.67536 175.9829 62.68448 65.19841       66.32620 
1 1 1 -9  27 17 o 74.98936 31.84969 0.1393483      1.957654  0.6416110      2.083440  -3.647444      5.720727  82.04556 33.68798 105.6168 48.84994 -23.57123      59.33967 
1 1 1 -9  27 18 o 335.5577 17.47166 26.86455       2.748317  27.30825       2.977987  24.31629       7.136741  337.9464 18.80741 303.1817 51.90786 34.76462       55.21000 
1 1 1 -9  27 19 o 372.7041 27.79125 33.92278       4.837356  40.10107       6.994386  28.25803       6.697384  399.4606 37.66731 330.8812 44.12930 68.57938       58.01915 
1 1 1 -9  27 20 o 148.0948 49.07214 5.695770       3.984198  -0.7404876     5.974557  10.85018       5.346609  118.2593 52.77744 197.1074 55.37477 -78.84811      76.49722 
1 1 1 -9  27 21 o 95.21450 42.06073 -0.4308750     3.698643  3.159929       5.697091  -3.046968      4.862772  135.4376 55.67019 96.17107 44.67537 39.26650       71.37967 
1 1 1 -9  27 22 o 130.4416 54.88778 2.537158       5.727563  2.537158       5.727563  0.000000       0.000000  130.4416 54.88778 ?        ?        0.000000       54.88778 
1 1 1 -9  29 1  o 256.1100 24.74897 15.73563       2.944467  0.000000       0.000000  15.73563       2.944467  ?        ?        256.1100 24.74897 0.000000       24.74897 
1 1 1 -9  29 2  o 260.5501 15.72848 16.09582       1.918697  17.43758       2.507861  14.20181       2.979606  270.6152 19.83898 242.8051 26.51864 27.81003       33.11832 
1 1 1 -9  29 3  o 426.4325 12.16029 42.88612       2.439291  41.71416       3.142514  44.66265       3.869076  420.1623 15.89977 434.3385 18.93693 -14.17624      24.72671 
1 1 1 -9  29 4  o 426.3106 12.33232 42.86752       2.473092  40.49218       2.903980  49.13793       4.718229  414.0594 14.90945 455.0080 22.04401 -40.94864      26.61259 
1 1 1 -9  29 5  o 444.0456 14.98551 46.57671       3.130174  46.27596       3.552094  47.62188       6.621802  442.3261 17.07153 444.5656 31.87597 -2.239532      36.15957 
1 1 1 -9  29 6  o 310.5050 14.76093 22.77479       2.156015  22.81273       2.316896  22.52973       5.888589  310.2519 15.92904 301.4254 42.72610 8.826477       45.59884 
1 1 1 -9  29 7  o 473.9073 15.30668 53.07888       3.412273  53.39185       3.860860  51.96196       7.293629  474.9888 17.27951 463.4926 33.68296 11.49619       37.85661 
1 1 1 -9  29 8  o 143.7518 19.26272 4.984348       1.269809  5.056571       1.307830  3.796077       5.304830  144.7196 19.72500 144.0258 55.46909 0.6938629      58.87185 
1 1 1 -9  29 9  o 420.9227 11.47448 41.79615       2.271981  41.52797       2.392306  44.26279       7.255201  419.4976 12.12322 425.9892 36.56036 -6.491608      38.51794 
1 1 1 -9  29 10 o 258.5520 15.63136 15.87159       1.892201  15.87159       1.892201  0.000000       0.000000  258.5520 15.63136 ?        ?        0.000000       15.63136 
1 1 1 -9  29 11 o 383.6519 12.70424 34.76095       2.292743  35.60569       2.452179  28.89120       6.463981  388.1926 13.42875 341.0977 41.11444 47.09482       43.25191 
1 1 1 -9  29 12 o 246.1183 17.17638 14.42948       1.976120  13.60199       2.086997  21.60226       6.144479  238.6298 18.74287 291.7148 46.32581 -53.08501      49.97375 
1 1 1 -9  29 13 o 102.7151 43.04605 0.7150080      3.499665  -0.4979192     5.128182  1.772295       4.787872  114.0907 49.99155 124.0583 51.01879 -9.967606      71.42879 
1 1 1 -9  29 14 o 309.7848 28.93094 23.35474       4.167117  21.09691       5.553768  26.26338       6.303576  288.9847 42.09111 322.7234 42.56118 -33.73877      59.85913 
1 1 1 -9  29 15 o 100.7382 42.76881 0.4649332      3.527695  7.568372       5.056255  -6.272295      4.924195  170.7084 55.21115 87.08418 41.76213 83.62421       69.22678 
1 1 1 -9  29 16 o 205.0197 53.18185 11.33769       5.172605  11.33769       5.172605  0.000000       0.000000  205.0197 53.18185 ?        ?        0.000000       53.18185 
1 1 1 -9  29 17 o 87.01101 39.04746 -1.125277      3.318981  -4.236029      4.790688  1.745838       4.602465  91.87879 43.21733 120.1667 49.77782 -28.28788      65.92093 
1 1 1 -9  29 18 o 131.0558 46.36189 4.118603       3.570726  0.8058859      4.896711  7.880500       5.218140  116.3762 49.92131 170.6964 56.14011 -54.32015      75.12556 
1 1 1 -9  31 1  o 77.07025 30.20538 0.8592671      1.594311  1.551883       2.049158  -0.2030598     2.537805  92.39610 34.73490 82.60172 35.68969 9.794373       49.80228 
1 1 1 -9  31 2  o 545.6216 13.04482 70.27309       3.348104  86.14745       5.454903  60.67821       4.240909  602.8397 19.23605 506.2196 17.80946 96.62009       26.21454 
1 1 1 -9  31 3  o 340.3902 13.44725 27.35837       2.153177  25.63058       2.790152  29.90233       3.385607  328.4539 18.12879 354.3961 20.39458 -25.94223      27.28721 
1 1 1 -9  31 4  o 152.1772 26.72106 5.687951       1.843027  5.687951       1.843027  0.000000       0.000000  152.1772 26.72106 ?        ?        0.000000       26.72106 
1 1 1 -9  31 5  o 196.2775 26.21107 9.357768       2.359586  8.900647       2.650208  11.10583       5.182537  190.2532 30.65430 206.8970 53.01052 -16.64378      61.23562 
1 1 1 -9  31 6  o 537.1670 18.96126 68.44556       4.791216  75.95126       6.494576  59.48277       7.097040  564.2693 24.46781 496.5586 30.53144 67.71072       39.12598 
1 1 1 -9  31 7  o 392.6848 35.01287 37.63377       6.399723  0.000000       0.000000  37.63377       6.399723  ?        ?        392.6848 35.01287 0.000000       35.01287 
1 1 1 -9  31 8  o 140.8412 42.24009 4.955402       3.020682  9.678954       3.978089  -1.476813      4.642163  194.3587 44.47392 103.8747 46.42782 90.48399       64.29208 
1 1 1 -9  31 9  o 373.1408 23.11212 33.34824       4.036816  36.44471       5.519147  29.78597       5.919720  387.6187 30.51576 347.7799 36.74112 39.83881       47.76109 
1 1 1 -9  31 10 o 163.4198 44.94621 6.865953       3.563037  2.028835       5.338274  10.75208       4.784825  130.7902 53.83926 202.6827 50.39865 -71.89252      73.74747 
1 1 1 -9  31 11 o 303.6035 28.67500 22.41302       4.046748  30.82640       6.305878  16.52200       5.276620  352.1230 38.70885 253.6643 45.91106 98.45876       60.05165 
1 1 1 -9  31 12 o 135.6002 44.32207 4.518948       3.254301  4.723544       4.878675  4.354935       4.368094  145.8379 53.83611 139.7731 51.04274 6.064804       74.18684 
1 1 1 -9  31 13 o 126.7274 45.39888 3.625412       3.434234  8.046968       5.888277  1.346017       4.227762  176.0317 59.67144 114.6810 47.62362 61.35065       76.34586 
1 1 1 -9  31 14 o 191.7262 39.18263 9.446813       3.414485  15.32699       5.371918  5.460762       4.422884  240.7368 49.10087 148.8651 51.67448 91.87175       71.28217 
1 1 1 -9  33 7  o 311.5308 36.97370 24.07253       5.312527  24.07253       5.312527  0.000000       0.000000  311.5308 36.97370 ?        ?        0.000000       36.97370 
1 1 1 -9  33 8  o 75.03198 35.02090 -2.660426      3.045144  -2.593639      4.556573  -2.714329      4.093516  96.74257 44.32600 90.18208 41.57436 6.560493       60.77188 
1 1 1 -8  0  1  o 1635.146 22.98359 629.8655       17.67057  629.8655       17.67057  629.8655       17.67057  1635.146 22.98359 1635.146 22.98359 0.000000       0.000000 
1 1 1 -8  0  2  o 1696.423 23.49442 677.9733       18.74047  677.9733       18.74047  677.9733       18.74047  1696.423 23.49442 1696.423 23.49442 0.000000       0.000000 
1 1 1 -8  0  3  o 232.3057 11.98431 12.79734       1.301654  12.79734       1.301654  12.79734       1.301654  232.3057 11.98431 232.3057 11.98431 0.000000       0.000000 
1 1 1 -8  0  4  o 652.8035 16.52325 100.4756       5.066615  100.4756       5.066615  100.4756       5.066615  652.8035 16.52325 652.8035 16.52325 0.000000       0.000000 
1 1 1 -8  0  5  o 530.3076 10.90889 66.24368       2.718710  66.24368       2.718710  66.24368       2.718710  530.3076 10.90889 530.3076 10.90889 0.000000       0.000000 
1 1 1 -8  0  6  o 579.8712 11.66779 79.20378       3.179746  79.20378       3.179746  79.20378       3.179746  579.8712 11.66779 579.8712 11.66779 0.000000       0.000000 
1 1 1 -8  0  7  o 45.86192 28.32042 0.3592610      1.201066  0.3592610      1.201066  0.3592610      1.201066  45.86192 28.32042 45.86192 28.32042 0.000000       0.000000 
1 1 1 -8  0  8  o 851.8455 14.71731 170.9125       5.893405  170.9125       5.893405  170.9125       5.893405  851.8455 14.71731 851.8455 14.71731 0.000000       0.000000 
1 1 1 -8  0  9  o 439.0064 22.42827 45.74911       4.604061  45.74911       4.604061  45.74911       4.604061  439.0064 22.42827 439.0064 22.42827 0.000000       0.000000 
1 1 1 -8  0  10 o 136.6774 34.35830 5.158657       1.910610  5.158657       1.910610  5.158657       1.910610  136.6774 34.35830 136.6774 34.35830 0.000000       0.000000 
1 1 1 -8  0  11 o 53.55982 34.64011 -0.6594130E-01 2.049755  -0.6594130E-01 2.049755  -0.6594130E-01 2.049755  53.55982 34.64011 53.55982 34.64011 0.000000       0.000000 
1 1 1 -8  0  12 o 68.47742 41.23163 1.099094       2.409930  1.099094       2.409930  1.099094       2.409930  68.47742 41.23163 68.47742 41.23163 0.000000       0.000000 
1 1 1 -8  0  13 f 885.6650 24.88756 185.3151       10.35011  185.3151       10.35011  185.3151       10.35011  885.6650 24.88756 885.6650 24.88756 0.000000       0.000000 
1 1 1 -8  0  14 o 78.73537 46.28330 1.684397       2.903351  1.684397       2.903351  1.684397       2.903351  78.73537 46.28330 78.73537 46.28330 0.000000       0.000000 
1 1 1 -8  0  15 o 866.0807 18.51441 176.7944       7.535105  176.7944       7.535105  176.7944       7.535105  866.0807 18.51441 866.0807 18.51441 0.000000       0.000000 
1 1 1 -8  0  16 o 1022.638 19.80499 246.4471       9.519153  246.4471       9.519153  246.4471       9.519153  1022.638 19.80499 1022.638 19.80499 0.000000       0.000000 
1 1 1 -8  0  17 o 278.5966 30.16355 18.92354       3.835606  18.92354       3.835606  18.92354       3.835606  278.5966 30.16355 278.5966 30.16355 0.000000       0.000000 
1 1 1 -8  0  18 o 689.1044 20.53796 112.1014       6.644125  112.1014       6.644125  112.1014       6.644125  689.1044 20.53796 689.1044 20.53796 0.000000       0.000000 
1 1 1 -8  0  19 o 734.3781 20.71291 127.2999       7.142463  127.2999       7.142463  127.2999       7.142463  734.3781 20.71291 734.3781 20.71291 0.000000       0.000000 
1 1 1 -8  0  20 o 324.7878 31.01626 25.55634       4.639421  25.55634       4.639421  25.55634       4.639421  324.7878 31.01626 324.7878 31.01626 0.000000       0.000000 
1 1 1 -8  0  21 o 491.0260 24.93362 57.27809       5.725272  57.27809       5.725272  57.27809       5.725272  491.0260 24.93362 491.0260 24.93362 0.000000       0.000000 
1 1 1 -8  0  22 o 278.8922 37.39632 19.36435       4.658436  19.36435       4.658436  19.36435       4.658436  278.8922 37.39632 278.8922 37.39632 0.000000       0.000000 
1 1 1 -8  0  23 o 234.1798 74.96619 16.64388       7.281272  16.64388       7.281272  16.64388       7.281272  234.1798 74.96619 234.1798 74.96619 0.000000       0.000000 
1 1 1 -8  0  24 o 517.2944 39.20214 64.71463       9.413339  64.71463       9.413339  64.71463       9.413339  517.2944 39.20214 517.2944 39.20214 0.000000       0.000000 
1 1 1 -8  0  25 o 539.8087 36.52364 70.30322       9.176888  70.30322       9.176888  70.30322       9.176888  539.8087 36.52364 539.8087 36.52364 0.000000       0.000000 
1 1 1 -8  0  26 o 673.0275 32.81220 108.5910       10.33183  108.5910       10.33183  108.5910       10.33183  673.0275 32.81220 673.0275 32.81220 0.000000       0.000000 
1 1 1 -8  0  27 o 107.7223 59.74820 4.012539       4.455198  4.012539       4.455198  4.012539       4.455198  107.7223 59.74820 107.7223 59.74820 0.000000       0.000000 
1 1 1 -8  0  28 o 532.2216 26.11275 67.85250       6.501651  67.85250       6.501651  67.85250       6.501651  532.2216 26.11275 532.2216 26.11275 0.000000       0.000000 
1 1 1 -8  0  29 o 63.23816 44.94899 -7.277052      5.738094  -7.277052      5.738094  -7.277052      5.738094  63.23816 44.94899 63.23816 44.94899 0.000000       0.000000 
1 1 1 -8  0  30 o 64.16365 43.98444 -2.485583      4.251487  -2.485583      4.251487  -2.485583      4.251487  64.16365 43.98444 64.16365 43.98444 0.000000       0.000000 
1 1 1 -8  0  31 o 138.4084 63.76711 7.098601       4.561049  7.098601       4.561049  7.098601       4.561049  138.4084 63.76711 138.4084 63.76711 0.000000       0.000000 
1 1 1 -8  0  32 o 152.2283 63.80038 8.304933       4.585782  8.304933       4.585782  8.304933       4.585782  152.2283 63.80038 152.2283 63.80038 0.000000       0.000000 
1 1 1 -8  0  33 o 144.8693 63.83710 7.803583       4.563680  7.803583       4.563680  7.803583       4.563680  144.8693 63.83710 144.8693 63.83710 0.000000       0.000000 
1 1 1 -8  0  34 o 171.6889 74.26740 11.43579       6.181496  11.43579       6.181496  11.43579       6.181496  171.6889 74.26740 171.6889 74.26740 0.000000       0.000000 
1 1 1 -8  0  35 o 63.01517 44.53970 -5.312129      5.368566  -5.312129      5.368566  -5.312129      5.368566  63.01517 44.53970 63.01517 44.53970 0.000000       0.000000 
1 1 1 -8  0  36 o 80.24492 54.05614 -0.6521998     5.869232  -0.6521998     5.869232  -0.6521998     5.869232  80.24492 54.05614 80.24492 54.05614 0.000000       0.000000 
1 1 1 -8  2  1  o 187.4374 13.59954 8.312793       1.190923  8.273632       1.799085  8.343337       1.588874  186.2310 20.89725 187.3333 18.26264 -1.102264      27.75282 
1 1 1 -8  2  2  o 293.9862 9.760040 20.33566       1.349733  19.97576       2.006759  20.63296       1.823933  290.9313 14.71120 296.0825 13.09564 -5.151154      19.69557 
1 1 1 -8  2  3  o 1158.779 17.18720 316.1936       9.368608  0.000000       0.000000  316.1936       9.368608  ?        ?        1158.779 17.18720 0.000000       17.18720 
1 1 1 -8  2  4  o 1620.607 18.01400 618.5349       13.73274  632.6902       17.19926  593.6385       22.80954  1638.472 22.31523 1585.703 30.57914 52.76904       37.85569 
1 1 1 -8  2  5  o 1702.080 18.83846 682.3999       15.08324  665.2794       25.33074  691.8048       18.77448  1678.247 32.08652 1713.102 23.29782 -34.85474      39.65266 
1 1 1 -8  2  6  o 1007.536 10.92638 238.8840       5.178528  245.9007       7.518024  232.5491       7.143417  1021.947 15.63890 993.8398 15.27989 28.10706       21.86436 
1 1 1 -8  2  7  o 186.0422 11.08009 8.174403       0.9652776 7.837491       1.410971  8.470813       1.323446  181.6591 16.69864 189.0822 15.00266 -7.423126      22.44826 
1 1 1 -8  2  8  o 645.2736 9.478973 97.98064       2.877229  92.51648       3.918565  104.3727       4.238245  626.8743 13.28854 665.8197 13.53194 -38.94543      18.96572 
1 1 1 -8  2  9  o 206.9800 15.56152 10.14988       1.504041  5.787753       2.662321  12.19466       1.822782  153.1147 37.30642 226.8199 17.21213 -73.70523      41.08560 
1 1 1 -8  2  10 o 663.9533 12.51917 103.8348       3.910052  105.9316       4.731065  99.31631       6.945146  670.4122 15.00195 648.2645 22.77508 22.14777       27.27201 
1 1 1 -8  2  11 o 459.4410 11.24817 49.71453       2.430978  53.01797       3.641522  47.05883       3.265049  474.1070 16.32816 446.7283 15.53735 27.37863       22.53926 
1 1 1 -8  2  12 o 196.3002 22.21660 9.221171       2.015366  7.842422       2.659149  11.08205       3.089290  178.9451 32.79900 213.7875 31.67760 -34.84239      45.59874 
1 1 1 -8  2  13 o 318.1482 14.96638 23.84584       2.239833  19.55965       3.136169  28.30828       3.200000  286.8525 23.44688 345.8712 19.75019 -59.01868      30.65659 
1 1 1 -8  2  14 o 1075.993 13.69756 272.5936       6.933012  262.7526       9.527119  283.6716       10.10818  1055.858 19.18168 1097.036 19.58767 -41.17786      27.41558 
1 1 1 -8  2  15 o 288.3864 18.91708 19.67961       2.552025  15.69722       3.602207  23.69267       3.616049  255.9573 30.51976 315.9690 24.52085 -60.01166      39.15007 
1 1 1 -8  2  16 f 773.4388 15.41521 140.8656       5.608474  136.0583       9.769869  143.2285       6.849504  759.1628 27.35801 779.6833 18.67547 -20.52051      33.12452 
1 1 1 -8  2  17 f 255.0199 27.43584 15.53420       3.239476  20.93426       3.965799  4.705708       5.615850  296.2900 28.81876 156.8917 57.78724 139.3984       64.57465 
1 1 1 -8  2  18 o 786.1864 16.94143 145.6308       6.265342  145.2955       7.548326  146.3734       11.23389  784.9669 20.44231 786.6637 30.35791 -1.696777      36.59905 
1 1 1 -8  2  19 o 266.1286 27.66396 16.92544       3.412570  15.79645       4.339831  18.75446       5.523767  255.3168 37.23005 277.2704 43.80593 -21.95361      57.48944 
1 1 1 -8  2  20 o 141.1747 44.15525 4.727077       3.256832  7.832937       5.493246  3.043594       4.044291  181.1654 57.43848 129.9990 48.81208 51.16634       75.37770 
1 1 1 -8  2  21 o 341.2946 20.93866 27.61752       3.345370  30.51020       4.821841  24.93285       4.645235  357.5529 28.91592 322.6170 30.99048 34.93588       42.38561 
1 1 1 -8  2  22 o 291.0224 25.06087 20.21856       3.397314  24.84404       4.921885  16.00936       4.695184  321.2347 33.04282 255.4126 40.42454 65.82217       52.21084 
1 1 1 -8  2  23 o 152.0255 41.43889 5.765481       3.044609  9.336893       4.491508  2.729375       4.141243  191.9923 49.43546 127.1026 48.99325 64.88975       69.60031 
1 1 1 -8  2  24 o 660.7564 16.56750 103.2582       5.149530  99.07662       7.154728  107.7526       7.417446  645.4198 23.56577 673.1302 23.42534 -27.71039      33.22788 
1 1 1 -8  2  25 o 459.7704 22.05508 50.33874       4.770006  43.45972       5.692387  66.55768       8.740628  424.4996 28.67488 522.3500 35.78802 -97.85034      45.85882 
1 1 1 -8  2  26 o 307.2264 25.38164 22.80143       3.635307  22.19304       5.232700  23.36900       5.054150  298.2306 38.17582 307.2342 35.63269 -9.003571      52.22147 
1 1 1 -8  2  27 o 352.9651 22.83399 30.02227       3.770942  25.82059       5.257724  34.47321       5.411430  321.8644 35.30571 374.6693 30.98196 -52.80493      46.97206 
1 1 1 -8  2  28 o 302.6585 26.61740 22.43089       3.751020  18.69089       5.590564  25.49314       5.058709  265.7172 46.41596 318.8281 34.26764 -53.11084      57.69500 
1 1 1 -8  2  29 o 288.0784 26.56819 20.44861       3.559758  21.18817       5.270968  19.82843       4.826820  285.2132 40.41829 277.3053 38.00241 7.907928       55.47812 
1 1 1 -8  2  30 o 242.6506 34.25511 15.10986       3.801250  14.74138       6.786907  15.27828       4.588473  219.4932 62.64437 239.0252 42.35965 -19.53203      75.62180 
1 1 1 -8  2  31 o 86.03414 39.01405 -1.149059      3.414174  1.643567       4.305017  -5.882878      5.604982  112.5943 47.49286 92.42738 44.38572 20.16691       65.00511 
1 1 1 -8  2  32 o 209.0863 39.70609 11.89940       3.762464  15.44293       6.599861  10.19330       4.579504  218.5079 61.57137 185.1256 50.97191 33.38234       79.93227 
1 1 1 -8  2  33 o 297.7488 26.95292 22.50984       3.734147  17.30436       5.199688  28.05364       5.366002  243.4770 47.10255 323.9349 35.81374 -80.45790      59.17157 
1 1 1 -8  2  34 o 158.7710 61.95553 9.256838       6.685367  9.256838       6.685367  0.000000       0.000000  158.7710 61.95553 ?        ?        0.000000       61.95553 
1 1 1 -8  2  35 o 112.4886 46.43855 3.278836       3.986027  -2.433115      5.254333  11.02259       6.117884  92.77958 44.11836 165.3808 60.40522 -72.60123      74.80121 
1 1 1 -8  2  36 o 87.95598 42.35760 -2.836207      5.191971  -2.836207      5.191971  0.000000       0.000000  87.95598 42.35760 ?        ?        0.000000       42.35760 
1 1 1 -8  4  1  o 2704.149 25.12337 1724.120       31.95787  1773.712       46.88467  1681.084       43.67621  2739.077 36.38793 2667.178 34.81158 71.89917       50.35799 
1 1 1 -8  4  2  o 168.0495 11.04826 6.674139       0.8685060 5.955220       1.166502  7.568372       1.300979  158.2506 15.88441 178.6149 15.64163 -20.36427      22.29294 
1 1 1 -8  4  3  o 848.6947 12.24429 169.5131       4.888261  180.9872       5.963554  146.0167       8.533852  876.8442 14.45817 787.0813 23.04922 89.76288       27.20855 
1 1 1 -8  4  4  o 706.7454 9.056807 117.5202       3.010977  116.7439       4.065973  118.4628       4.480469  704.3077 12.27249 709.4302 13.42593 -5.122498      18.18983 
1 1 1 -8  4  5  o 416.5864 9.299093 40.83310       1.822279  42.77646       3.120881  39.82779       2.244667  426.2404 15.56515 411.3833 11.59941 14.85706       19.41186 
1 1 1 -8  4  6  o 1170.300 12.17058 322.3568       6.700044  317.5634       9.281208  327.5733       9.682086  1161.181 16.99164 1179.296 17.45328 -18.11475      24.35842 
1 1 1 -8  4  7  o 544.0347 8.711546 69.64130       2.229416  65.73363       3.039808  74.18969       3.279567  528.4482 12.22853 561.4034 12.41859 -32.95526      17.42866 
1 1 1 -8  4  8  o 826.5537 11.83440 160.8324       4.601366  162.6635       7.908304  159.8952       5.657624  830.5247 20.24238 823.9482 14.59704 6.576477       24.95651 
1 1 1 -8  4  9  o 349.8461 10.49534 28.81338       1.727200  27.87941       2.442269  29.74790       2.442992  343.9599 15.09442 355.3203 14.61614 -11.36038      21.01126 
1 1 1 -8  4  10 o 327.0760 11.79783 25.19722       1.815181  27.29125       2.753471  23.58770       2.414004  339.6831 17.28919 315.8358 16.30389 23.84735       23.76411 
1 1 1 -8  4  11 o 387.3452 14.95700 35.36799       2.725284  34.37201       3.216705  37.90131       5.130155  381.6662 17.91670 398.9884 27.50180 -17.32217      32.82312 
1 1 1 -8  4  12 o 87.08478 33.04095 1.274512       1.864326  2.090369       3.543352  0.9622000      2.192310  116.6155 45.21578 88.39800 35.17348 28.21749       57.28561 
1 1 1 -8  4  13 o 534.7786 12.11067 67.32487       3.046573  67.48016       4.478062  67.19108       4.156856  535.1182 17.78980 534.0400 16.54710 1.078125       24.29575 
1 1 1 -8  4  14 o 1497.507 18.82194 528.3956       13.25875  542.5090       23.65129  521.9277       16.01121  1514.501 33.19831 1487.675 22.87952 26.82666       40.31873 
1 1 1 -8  4  15 o 840.7582 15.10002 166.4405       5.971972  175.5054       10.97412  162.6265       7.118268  862.3038 27.05455 830.8620 18.21277 31.44177       32.61371 
1 1 1 -8  4  16 o 639.9493 13.53152 96.41145       4.073441  99.62089       5.901140  93.49030       5.629862  650.2063 19.29370 629.8998 19.00015 20.30652       27.07863 
1 1 1 -8  4  17 o 788.5764 13.65640 146.4123       5.065814  147.6930       7.336553  145.2454       7.003343  791.5735 19.70296 785.0496 18.96440 6.523987       27.34694 
1 1 1 -8  4  18 o 564.3291 17.78074 75.05324       4.720103  76.97708       5.599973  70.33294       8.771756  571.3038 20.83769 543.7363 34.47318 27.56750       40.28162 
1 1 1 -8  4  19 o 397.3401 17.53326 37.21634       3.277136  35.32405       4.755232  38.92806       4.522651  385.6781 26.36876 405.3003 23.82655 -19.62225      35.53894 
1 1 1 -8  4  20 o 411.1080 18.24987 39.86463       3.529270  34.65898       4.975625  45.13573       5.006806  381.6025 27.91199 436.2694 24.49613 -54.66696      37.13677 
1 1 1 -8  4  21 o 578.0148 18.64433 78.86362       5.069384  92.62783       9.454997  73.31055       6.005547  623.3740 32.35484 556.7822 22.92968 66.59186       39.65609 
1 1 1 -8  4  22 f 355.7248 21.31256 30.04271       3.549880  28.56840       5.188640  31.34007       4.867328  344.7294 32.37607 361.9800 28.82375 -17.25061      43.34764 
1 1 1 -8  4  23 o 1077.531 16.19635 274.2797       8.209495  277.0096       11.73589  271.6639       11.48804  1080.455 23.09085 1070.088 22.82217 10.36707       32.46597 
1 1 1 -8  4  24 o 240.3330 36.66172 14.26224       4.013496  9.956018       4.677396  26.28419       7.815258  196.8282 50.32309 321.0648 53.63890 -124.2366      73.54961 
1 1 1 -8  4  25 o 439.4228 19.34142 45.86927       3.997976  46.36000       5.698854  45.39369       5.610173  438.6530 27.76149 434.0933 27.61771 4.559753       39.15914 
1 1 1 -8  4  26 o 128.7363 43.07735 3.983224       3.068297  3.008435       4.431320  4.880989       4.252646  129.1586 50.42974 143.8537 50.62708 -14.69514      71.45810 
1 1 1 -8  4  27 o 133.5285 46.40855 4.285776       3.567913  4.503568       6.348120  4.185208       4.313719  151.0062 59.92630 136.6779 50.58957 14.32831       78.42490 
1 1 1 -8  4  28 o 308.1059 24.88493 23.14279       3.575884  28.07086       5.363029  19.19823       4.798121  334.2837 34.60681 273.9315 38.28169 60.35214       51.60541 
1 1 1 -8  4  29 o 414.5158 21.05692 41.53986       4.092385  50.69266       6.159689  34.30732       5.475543  452.5850 29.08677 370.2314 31.74726 82.35364       43.05727 
1 1 1 -8  4  30 o 229.9599 39.94954 13.99191       4.164676  12.58714       4.907579  17.60702       7.872715  211.3421 50.12320 235.5791 67.54621 -24.23706      84.11198 
1 1 1 -8  4  31 o 121.7244 43.54010 3.720157       3.157629  6.960292       4.584420  0.7955408      4.355493  156.0548 52.65318 107.6386 46.63102 48.41624       70.33356 
1 1 1 -8  4  32 o 170.6393 41.45711 8.116306       3.294877  8.296238       4.627152  7.931228       4.692863  165.9263 52.72799 162.2994 53.23284 3.626923       74.92648 
1 1 1 -8  4  33 o 187.8069 43.39091 10.16265       3.756269  6.043401       6.584049  12.15035       4.573619  144.7895 59.71948 200.9424 48.85884 -56.15291      77.15959 
1 1 1 -8  4  34 o 62.23506 30.70253 -5.790121      3.235311  -11.47444      5.350923  -2.514667      4.061864  73.17778 36.64248 83.73132 39.50876 -10.55354      53.88519 
1 1 1 -8  4  35 o 89.28833 39.03463 0.8148896      3.110809  4.479786       5.011436  -1.482504      3.967793  122.7854 51.48690 85.11153 39.80809 37.67384       65.08138 
1 1 1 -8  4  36 o 113.9419 50.34892 3.766350       5.303897  3.766350       5.303897  0.000000       0.000000  113.9419 50.34892 ?        ?        0.000000       50.34892 
1 1 1 -8  6  1  o 615.7800 8.913072 89.21396       2.581798  85.46423       3.646255  92.98415       3.656193  602.5934 12.86333 628.5616 12.36551 -25.96826      17.84295 
1 1 1 -8  6  2  o 870.4309 10.10126 178.2769       4.135986  168.9346       5.587069  189.6038       6.151989  847.1485 14.02023 897.4479 14.57260 -50.29944      20.22195 
1 1 1 -8  6  3  o 664.6707 10.85765 103.9625       3.394780  103.9625       3.394780  0.000000       0.000000  664.6707 10.85765 ?        ?        0.000000       10.85765 
1 1 1 -8  6  4  o 706.3137 9.623141 117.3875       3.197304  114.2267       4.156040  121.9708       5.004625  696.6292 12.68261 719.7597 14.78137 -23.13055      19.47659 
1 1 1 -8  6  5  o 777.9974 13.99824 142.5037       5.122960  134.5422       6.695616  153.7456       7.956315  755.6489 18.83654 807.6070 20.94318 -51.95813      28.16792 
1 1 1 -8  6  6  o 350.4445 10.77227 28.90496       1.775808  29.10523       3.068058  28.80406       2.177661  350.9257 18.65269 349.7720 13.23536 1.153748       22.87133 
1 1 1 -8  6  7  o 552.9452 8.816728 71.95244       2.293289  74.72105       3.294315  69.34923       3.194394  563.3280 12.43181 542.6971 12.51301 20.63092       17.63875 
1 1 1 -8  6  8  o 441.8451 9.169846 45.95194       1.905906  43.70541       2.663772  48.30828       2.728094  430.7394 13.14659 452.8713 12.80605 -22.13193      18.35287 
1 1 1 -8  6  9  o 95.92863 22.76504 2.262851       1.011842  2.011493       1.719977  2.395881       1.251271  95.38366 32.25071 98.87917 26.40424 -3.495514      41.68083 
1 1 1 -8  6  10 o 113.7369 22.96733 3.167153       1.186476  2.464000       2.021678  3.536573       1.465370  104.7304 34.96722 119.8909 26.67156 -15.16050      43.97815 
1 1 1 -8  6  11 o 401.2278 17.20146 37.95231       3.246578  37.95231       3.246578  0.000000       0.000000  401.2278 17.20146 ?        ?        0.000000       17.20146 
1 1 1 -8  6  12 o 939.9943 12.29709 208.0095       5.437472  218.4875       8.106750  199.4406       7.331112  962.8912 17.89783 920.0554 16.93895 42.83575       24.64265 
1 1 1 -8  6  13 o 1301.992 14.82750 399.1478       9.081246  400.4148       12.95660  397.9243       12.73199  1303.317 21.13351 1299.299 20.83137 4.018311       29.67442 
1 1 1 -8  6  14 o 584.5222 12.52865 80.41917       3.444883  82.72225       5.158700  78.56559       4.627995  592.5765 18.50660 577.5671 17.03418 15.00934       25.15268 
1 1 1 -8  6  15 o 413.0228 14.73539 40.16381       2.862892  41.65886       4.412691  39.07708       3.762158  419.7603 22.42889 407.2341 19.63919 12.52625       29.81196 
1 1 1 -8  6  16 o 1048.730 14.15982 258.9519       6.985388  251.8804       9.786097  266.2979       9.974252  1033.762 20.12424 1062.956 19.94783 -29.19385      28.33551 
1 1 1 -8  6  17 o 820.5892 13.75415 158.5515       5.309198  160.9248       7.642295  156.3375       7.381190  826.2324 19.66311 814.4077 19.26705 11.82465       27.52921 
1 1 1 -8  6  18 f 1091.909 18.14322 281.0367       9.319019  281.3439       10.95454  280.2319       17.72848  1092.050 21.32466 1087.198 34.66520 4.852417       40.69910 
1 1 1 -8  6  19 o 985.8669 14.89527 228.9917       6.907741  221.3886       9.656950  236.9582       9.885087  968.5133 21.19654 1002.028 20.97160 -33.51422      29.81780 
1 1 1 -8  6  20 o 1029.929 15.15276 250.0168       7.341224  258.0988       10.79302  243.0585       10.01473  1045.235 21.95127 1014.516 20.98510 30.71930       30.36828 
1 1 1 -8  6  21 o 374.1033 21.25416 33.18986       3.724851  38.19858       6.917487  31.14455       4.420425  398.2106 37.36588 361.5756 26.16618 36.63507       45.61664 
1 1 1 -8  6  22 o 234.9540 27.01555 13.28607       2.931498  8.954569       4.233390  17.27662       4.063364  188.5040 47.70203 267.0154 33.05692 -78.51146      58.03657 
1 1 1 -8  6  23 o 271.4347 24.87067 17.66565       3.140264  20.64521       4.660545  15.18810       4.249825  291.1722 34.71063 248.3817 37.54479 42.79054       51.13159 
1 1 1 -8  6  24 o 400.9880 22.94308 38.39646       4.309684  39.91824       5.626702  36.23663       6.703310  406.8772 29.60113 384.6852 37.52141 22.19205       47.79208 
1 1 1 -8  6  25 o 325.1693 29.24827 25.66520       4.425958  23.15695       5.138253  32.87753       8.713008  306.1410 36.39298 356.5738 53.60427 -50.43280      64.79095 
1 1 1 -8  6  26 o 438.0457 19.46198 45.73284       4.010290  48.11827       5.898620  43.68256       5.468575  445.2502 28.30994 424.5113 27.53376 20.73889       39.49127 
1 1 1 -8  6  27 o 494.3322 21.52076 58.61681       5.004328  47.32462       8.242722  65.20887       6.297845  431.6750 41.08810 519.1888 25.78679 -87.51373      48.50970 
1 1 1 -8  6  28 o 311.9076 24.33715 23.70091       3.542535  23.47977       5.002552  23.92336       5.017283  304.6271 35.58069 307.6861 35.30414 -3.058990      50.12353 
1 1 1 -8  6  29 o 89.71306 39.14316 -0.7900959E-01 3.114443  -7.337304      4.199176  8.795413       4.643194  73.20712 35.88857 176.8395 52.21476 -103.6323      63.35907 
1 1 1 -8  6  30 o 138.8193 43.68083 5.172274       3.181854  7.515582       4.601757  3.025680       4.404371  162.9236 52.66902 123.9850 49.67979 38.93860       72.40240 
1 1 1 -8  6  31 o 254.1378 31.17661 16.48599       3.648904  15.32205       5.011440  17.79932       5.323329  233.6874 47.21367 252.9721 46.44596 -19.28473      66.22959 
1 1 1 -8  6  32 o 129.3270 43.70922 4.579130       3.159282  6.896903       4.499831  2.325996       4.436639  152.5660 52.16177 116.0122 48.53170 36.55383       71.24729 
1 1 1 -8  6  33 o 65.83298 32.26529 -5.489220      3.387210  -5.175387      6.645152  -5.599383      3.937076  99.93801 48.07726 72.57141 35.39882 27.36660       59.70343 
1 1 1 -8  6  34 o 160.1394 46.05500 7.973390       3.654965  7.128419       6.209968  8.421229       4.520951  144.3916 58.58953 158.7985 52.25666 -14.40681      78.50791 
1 1 1 -8  6  35 o 73.05254 35.46674 -4.225001      3.826699  -3.296671      5.286647  -5.246730      5.546218  89.50014 43.01371 86.10218 42.00232 3.397964       60.11966 
1 1 1 -8  6  36 o 155.5548 58.11762 10.89477       5.719356  10.89477       5.719356  0.000000       0.000000  155.5548 58.11762 ?        ?        0.000000       58.11762 
1 1 1 -8  8  1  o 332.5922 8.790163 26.02820       1.375239  25.59183       1.976197  26.43797       1.915011  329.7169 12.74148 335.1366 12.14731 -5.419739      17.60404 
1 1 1 -8  8  2  o 1104.058 16.71985 287.1465       8.683472  287.1465       8.683472  0.000000       0.000000  1104.058 16.71985 ?        ?        0.000000       16.71985 
1 1 1 -8  8  3  o 381.4841 11.85414 34.25784       2.127237  37.30516       2.960414  31.00476       3.058729  397.9585 15.81413 362.7224 17.92658 35.23608       23.90500 
1 1 1 -8  8  4  f 177.4936 17.89862 7.500942       1.474014  5.721392       1.905622  10.15161       2.325729  153.2903 27.43459 205.8983 24.49304 -52.60794      36.77725 
1 1 1 -8  8  5  o 552.6886 14.52129 71.96208       3.775331  66.05232       4.409193  88.19858       7.308367  529.2996 17.70876 610.8494 25.43413 -81.54974      30.99186 
1 1 1 -8  8  6  o 504.1714 11.91221 59.86034       2.825139  58.94768       4.432205  60.48491       3.666519  499.8433 18.85023 506.5830 15.38629 -6.739777      24.33247 
1 1 1 -8  8  7  o 224.9681 11.98991 11.95363       1.264260  11.59631       1.801674  12.30025       1.774503  221.0417 17.46975 227.7798 16.67716 -6.738113      24.15201 
1 1 1 -8  8  8  o 458.8209 9.220897 49.55244       1.990149  49.42271       2.836269  49.67827       2.793217  458.0342 13.16377 459.2298 12.93020 -1.195587      18.45196 
1 1 1 -8  8  9  o 873.7526 10.98086 179.7369       4.513298  185.9727       6.623184  174.3309       6.166763  888.3142 15.85006 860.1262 15.24143 28.18805       21.98922 
1 1 1 -8  8  10 o 828.5850 11.03008 161.6049       4.299176  158.6629       6.038832  164.6284       6.121924  820.6826 15.64258 835.9747 15.56774 -15.29205      22.06909 
1 1 1 -8  8  11 o 827.4518 11.34802 161.1448       4.417048  165.4270       6.549009  157.5712       5.982640  838.0526 16.61250 817.9847 15.54814 20.06787       22.75346 
1 1 1 -8  8  12 o 1022.092 12.71133 245.8908       6.111534  240.8019       8.627609  251.0162       8.658504  1011.070 18.14010 1032.318 17.83035 -21.24750      25.43590 
1 1 1 -8  8  13 o 429.5884 12.45000 43.43523       2.515888  44.61532       3.982371  42.65139       3.245608  435.1701 19.45420 425.5931 16.21183 9.576996       25.32369 
1 1 1 -8  8  14 o 810.1164 14.05267 154.4986       5.355199  154.3401       9.448239  154.5735       6.500132  808.9302 24.82964 810.1407 17.05660 -1.210510      30.12372 
1 1 1 -8  8  15 o 540.8917 14.99492 68.88833       3.815256  68.78716       7.294937  68.92642       4.476254  538.9156 28.88115 540.9276 17.59164 -2.011963      33.81696 
1 1 1 -8  8  16 o 926.8047 13.57773 202.2367       5.919494  200.2272       8.545715  204.0902       8.207387  921.6673 19.71083 930.6110 18.74854 -8.943726      27.20339 
1 1 1 -8  8  17 o 506.7253 15.93154 60.48896       3.797516  61.75046       5.167013  59.00714       5.600088  511.6498 21.46829 499.9895 23.81029 11.66037       32.05959 
1 1 1 -8  8  18 o 615.1661 14.40874 89.14050       4.169537  84.48146       5.959225  93.60877       5.835938  598.3549 21.17199 629.9861 19.69293 -31.63123      28.91478 
1 1 1 -8  8  19 o 443.6644 20.83045 46.46723       4.347329  44.74200       5.059032  51.33770       8.500208  434.3124 24.86592 462.5328 39.44467 -28.22034      46.62827 
1 1 1 -8  8  20 o 602.8979 15.19206 85.69477       4.308537  87.67510       6.329865  83.98521       5.881225  609.0225 22.09489 596.2167 20.96980 12.80585       30.46173 
1 1 1 -8  8  21 o 330.9614 20.71740 26.00428       3.209141  20.70749       4.637436  30.87161       4.445469  292.6040 34.34531 359.7368 26.45583 -67.13281      43.35333 
1 1 1 -8  8  22 o 150.3955 43.10244 5.617055       3.206382  1.944412       5.830992  7.208905       3.838876  137.3122 56.36664 169.3959 46.67983 -32.08372      73.18610 
1 1 1 -8  8  23 o 418.0931 20.88998 41.48112       4.108472  41.94138       5.507614  40.90369       6.168985  417.9938 28.17509 411.5269 32.12185 6.466919       42.72761 
1 1 1 -8  8  24 o 354.4818 21.53111 30.00824       3.573289  34.98967       5.392196  26.10787       4.771355  380.1351 30.40951 327.7303 31.33144 52.40488       43.66231 
1 1 1 -8  8  25 o 162.2426 40.78828 6.754321       3.109579  13.91010       4.599613  0.7307364      4.220076  233.2137 43.52836 111.0590 46.94316 122.1547       64.01858 
1 1 1 -8  8  26 o 261.3163 25.96434 16.62058       3.149376  26.46974       4.884967  9.614901       4.119906  327.7355 32.09812 191.0357 46.32428 136.6997       56.35804 
1 1 1 -8  8  27 o 120.7651 42.01285 3.463355       2.924371  4.288622       4.296411  2.750980       3.991744  136.6619 50.50697 121.7076 47.76624 14.95430       69.51667 
1 1 1 -8  8  28 o 409.0320 23.43193 40.61219       4.489755  30.49941       7.506699  46.24461       5.602237  337.4272 48.70325 434.0055 27.58402 -96.57834      55.97218 
1 1 1 -8  8  29 o 180.5967 42.40351 8.772453       3.540745  8.246641       4.510728  9.616529       5.715072  171.5056 51.65815 182.0589 58.67877 -10.55330      78.17776 
1 1 1 -8  8  30 o 262.8935 29.42857 17.37335       3.576878  14.42662       5.036355  20.37240       5.080877  227.2536 48.58483 277.8102 40.03548 -50.55669      62.95494 
1 1 1 -8  8  31 o 103.3221 43.31401 1.370696       3.545182  1.353083       4.164439  1.417063       6.756828  108.8737 46.35198 128.1338 56.71369 -19.26012      73.24580 
1 1 1 -8  8  32 o 118.3185 44.81458 3.462132       3.425974  7.871582       5.940203  1.264346       4.193743  158.7251 59.24343 106.9026 46.03471 51.82253       75.02652 
1 1 1 -8  8  33 o 186.2585 42.90469 10.07672       3.681691  17.22652       6.735332  7.030034       4.396687  221.9867 62.07673 149.7322 51.54696 72.25447       80.68835 
1 1 1 -8  8  34 f 107.2541 49.66218 -0.1126635     5.936682  0.000000       0.000000  -0.1126635     5.936682  ?        ?        107.2541 49.66218 0.000000       49.66218 
1 1 1 -8  8  35 o 96.53184 42.63029 1.260967       3.796792  0.2179846      5.105031  2.552022       5.679788  99.84930 46.16969 112.5324 50.73906 -12.68313      68.60097 
1 1 1 -8  10 1  f 313.2178 9.937797 23.09393       1.464218  21.93623       1.815291  25.24970       2.477133  305.1866 12.64478 327.2876 16.08979 -22.10104      20.46392 
1 1 1 -8  10 2  o 797.2925 11.66652 149.6875       4.375505  146.6922       5.158223  157.3722       8.262175  789.0809 13.89662 816.3511 21.51533 -27.27020      25.61300 
1 1 1 -8  10 3  o 579.3381 9.211524 78.99977       2.510342  78.98230       3.452448  79.01937       3.656667  579.0823 12.67411 579.1688 13.42181 -0.8648682E-01 18.46017 
1 1 1 -8  10 4  o 230.8063 13.41222 12.59144       1.449909  12.36654       1.603022  13.60285       3.399509  228.5882 14.99092 237.5017 31.18204 -8.913544      34.59837 
1 1 1 -8  10 5  o 879.7704 10.91145 182.2246       4.515658  188.0419       5.244406  165.5470       8.879783  893.5674 12.47670 837.1954 22.54790 56.37201       25.76967 
1 1 1 -8  10 6  o 957.8401 14.22286 216.1225       6.408395  221.3734       10.50080  213.0062       8.089482  968.1838 23.05661 950.4536 18.09341 17.73022       29.30834 
1 1 1 -8  10 7  o 521.9753 9.959354 64.12524       2.445403  65.81409       3.084828  61.26922       4.011577  528.7071 12.40356 509.9098 16.72447 18.79730       20.82202 
1 1 1 -8  10 8  o 349.0196 10.46715 28.66851       1.718493  25.98412       2.215692  32.72131       2.722480  332.1928 14.17914 372.7375 15.52717 -40.54462      21.02715 
1 1 1 -8  10 9  o 652.8920 10.12934 100.3079       3.110941  103.7401       4.502144  97.17156       4.303638  663.8012 14.41823 642.4503 14.24055 21.35095       20.26521 
1 1 1 -8  10 10 o 882.9864 12.60062 183.5038       5.233779  178.0296       6.565843  193.0440       8.667809  869.5307 16.05226 905.1492 20.35729 -35.61847      25.92478 
1 1 1 -8  10 11 o 183.2621 17.66807 7.982626       1.504240  8.293698       3.161853  7.891623       1.710175  183.9110 37.81121 181.8900 20.33572 2.020981       42.93285 
1 1 1 -8  10 13 o 1383.814 15.42544 450.8735       10.04117  454.5964       14.40213  447.3522       14.00685  1388.750 22.04618 1377.698 21.61310 11.05164       30.87329 
1 1 1 -8  10 14 o 452.1190 12.87916 48.11675       2.739110  40.41338       4.122230  54.20695       3.665282  413.5180 21.26379 479.7649 16.24088 -66.24686      26.75659 
1 1 1 -8  10 15 o 1332.332 15.38109 418.0425       9.639816  438.4297       14.45156  401.6995       12.93902  1363.433 22.53261 1305.297 21.07283 58.13660       30.85098 
1 1 1 -8  10 16 o 565.0738 15.49044 75.21169       4.117545  64.06065       7.602920  79.83974       4.898032  519.4148 31.26257 582.0578 17.88901 -62.64301      36.01895 
1 1 1 -8  10 17 o 532.3251 14.09217 66.74135       3.528776  72.62186       5.446584  62.48726       4.632545  554.8234 20.86893 514.7803 19.13059 40.04309       28.31063 
1 1 1 -8  10 18 o 230.2311 23.67332 12.65456       2.527324  10.99171       3.882084  13.87775       3.329551  211.3456 40.52288 240.1794 30.13335 -28.83385      50.49874 
1 1 1 -8  10 19 f 380.5278 17.20376 34.15610       3.079492  33.74597       4.743698  34.45484       4.048560  376.5019 26.96282 381.1169 22.68513 -4.614990      35.23647 
1 1 1 -8  10 20 o 463.7529 18.13289 50.78529       3.955697  47.23544       7.169300  52.33897       4.743006  443.6427 34.62807 470.4231 21.43363 -26.78040      40.72473 
1 1 1 -8  10 21 o 371.7956 18.84698 32.77050       3.285439  37.42566       4.966959  29.14941       4.380693  395.8596 26.83198 349.1294 26.88064 46.73016       37.98057 
1 1 1 -8  10 22 o 349.6865 20.06832 29.07332       3.287282  28.27962       4.989009  29.68229       4.370070  342.2256 31.33879 351.9309 26.59373 -9.705353      41.10165 
1 1 1 -8  10 23 o 431.0944 18.46964 44.05792       3.745417  42.01854       5.536412  45.77887       5.085862  417.8698 28.33297 437.3725 24.82201 -19.50262      37.66815 
1 1 1 -8  10 24 o 431.6880 18.24998 44.24641       3.705967  44.93218       5.468634  43.66401       5.039664  431.8051 27.05958 426.3087 25.24333 5.496368       37.00604 
1 1 1 -8  10 25 o 268.6499 24.97063 17.47935       3.119514  21.48532       4.680852  14.27847       4.184138  294.5162 34.43696 237.7039 38.75526 56.81227       51.84472 
1 1 1 -8  10 26 o 169.7402 51.82067 7.680184       4.516847  4.063615       6.039355  12.27111       6.804437  146.2353 58.31873 208.4704 63.59443 -62.23503      86.28630 
1 1 1 -8  10 27 o 327.2841 23.36648 25.97578       3.573745  23.31757       5.152186  28.44067       4.961296  303.3158 36.86809 338.4800 31.52213 -35.16415      48.50671 
1 1 1 -8  10 28 o 358.4424 22.60581 31.16846       3.792088  32.83631       5.570785  29.72833       5.176537  361.8029 33.09893 344.6411 32.30735 17.16177       46.25261 
1 1 1 -8  10 29 o 77.95364 36.36835 -2.489392      3.278186  -4.762188      6.291947  -1.642553      3.840654  103.9498 49.08648 89.76476 40.96450 14.18506       63.93414 
1 1 1 -8  10 30 o 76.70125 35.36787 -1.739151      2.965101  1.458336       4.216477  -4.867245      4.170473  110.9907 46.91918 79.82559 38.32148 31.16506       60.58007 
1 1 1 -8  10 31 o 238.7491 34.84946 14.94459       3.798551  22.02140       7.016192  12.01019       4.517961  269.5505 57.10971 204.5150 47.81767 65.03549       74.48522 
1 1 1 -8  10 32 o 138.0520 52.00697 5.413703       4.598398  -3.145066      5.993560  17.66052       7.169534  101.8609 48.04172 226.3936 64.30711 -124.5328      80.27086 
1 1 1 -8  10 33 o 99.32633 44.82899 0.2048681E-01  4.446461  0.000000       0.000000  0.2048681E-01  4.446461  ?        ?        99.32633 44.82899 0.000000       44.82899 
1 1 1 -8  10 34 o 246.0715 39.14110 17.49840       4.378941  19.25387       6.052885  15.57075       6.342798  236.6778 55.35424 200.7811 61.42817 35.89667       82.68925 
1 1 1 -8  10 35 o 122.2405 47.95576 4.995578       4.021941  15.56778       5.789860  -4.863258      5.591112  198.0845 58.25550 85.90125 41.96297 112.1833       71.79551 
1 1 1 -8  12 1  o 690.3827 10.91539 112.1789       3.544855  109.0459       4.271158  119.1142       6.354665  680.5605 13.34165 710.9182 19.00219 -30.35773      23.21816 
1 1 1 -8  12 2  o 838.8312 12.00980 165.6269       4.738923  179.7976       6.137651  144.7087       7.457085  873.7914 14.93225 783.5058 20.23287 90.28558       25.14639 
1 1 1 -8  12 3  o 123.8302 20.84946 3.713456       1.171334  3.768770       1.484188  3.622105       1.907319  124.0345 26.25601 121.6927 32.64375 2.341820       41.89264 
1 1 1 -8  12 4  o 881.7092 11.43769 182.9640       4.743872  178.0366       5.320237  202.0809       10.47919  869.6747 13.00484 925.6212 24.06717 -55.94653      27.35606 
1 1 1 -8  12 5  o 803.4366 12.54294 151.9321       4.740458  154.5285       5.695218  146.0761       8.553093  810.1524 14.94426 787.1359 23.09958 23.01648       27.51221 
1 1 1 -8  12 6  o 689.7736 15.22515 112.0148       4.940118  113.6445       6.514662  109.8098       7.578068  694.5312 19.94026 682.4843 23.60460 12.04694       30.89969 
1 1 1 -8  12 7  o 1247.758 16.64426 366.5856       9.769315  351.9620       15.38628  376.4632       12.64532  1221.557 26.77630 1264.019 21.26702 -42.46265      34.19439 
1 1 1 -8  12 8  o 898.7119 11.71106 190.0676       4.950922  197.2483       6.700159  181.4314       7.347910  915.3473 15.56073 877.7554 17.79594 37.59186       23.63962 
1 1 1 -8  12 9  o 684.4449 11.83710 110.2425       3.811126  121.5862       4.957200  93.84662       5.959709  718.6940 14.66301 631.1832 20.07245 87.51080       24.85773 
1 1 1 -8  12 10 o 411.5013 11.07071 39.84645       2.142969  39.82133       3.013028  39.87217       3.048516  411.2752 15.57404 411.5333 15.74759 -0.2580872     22.14808 
1 1 1 -8  12 11 f 1349.893 14.70771 428.9708       9.339285  426.8164       13.12829  431.1781       13.28866  1345.903 20.73601 1352.745 20.88315 -6.842163      29.42937 
1 1 1 -8  12 12 o 356.7740 12.06031 29.95778       2.024049  34.84955       3.473239  27.44223       2.490685  384.6089 19.19756 341.3935 15.50937 43.21542       24.67968 
1 1 1 -8  12 13 o 1003.821 19.49150 237.4449       9.203880  246.4923       12.26955  225.8026       13.91830  1022.086 25.51948 977.6169 30.26551 44.46936       39.58845 
1 1 1 -8  12 14 o 555.9630 12.00017 72.75655       3.138359  75.85787       4.959061  70.68466       4.053305  567.3776 18.58052 547.8354 15.72859 19.54218       24.34388 
1 1 1 -8  12 15 o 720.5189 12.70103 122.2247       4.304805  119.2295       6.445522  124.6366       5.783904  711.1790 19.26682 727.3160 16.90552 -16.13708      25.63214 
1 1 1 -8  12 16 o 1246.151 16.87959 365.9712       9.894686  369.8067       12.94570  360.5827       15.34454  1251.796 21.98480 1235.163 26.40950 16.63330       34.36267 
1 1 1 -8  12 17 o 357.2584 15.91571 30.08162       2.674716  24.13255       4.247879  33.98969       3.442933  317.9812 28.70848 379.0775 19.37243 -61.09622      34.63334 
1 1 1 -8  12 18 o 132.0370 35.67345 4.290139       2.268134  1.434358       3.769437  5.910949       2.839749  113.5601 45.79798 154.4244 39.06414 -40.86430      60.19520 
1 1 1 -8  12 19 o 402.0339 18.36159 38.16983       3.472500  31.59929       6.169146  41.21711       4.201262  361.8419 36.75423 416.9178 21.49515 -55.07593      42.57833 
1 1 1 -8  12 20 o 312.9892 27.61991 23.47648       4.024793  24.05099       4.513364  21.24554       8.894013  316.1362 30.73856 285.8474 67.26543 30.28882       73.95605 
1 1 1 -8  12 21 o 558.6217 15.30300 73.71094       4.021274  77.91183       6.312250  70.84148       5.216910  572.6791 23.43169 546.7584 20.28376 25.92065       30.99153 
1 1 1 -8  12 22 o 951.1760 17.11665 214.1811       7.658591  209.1221       9.995535  221.3734       11.91812  937.5930 22.66326 962.7749 26.31562 -25.18188      34.72946 
1 1 1 -8  12 23 o 370.5117 21.84973 32.81133       3.791324  31.12366       7.416470  33.40839       4.411288  351.4801 45.95726 372.8768 25.29928 -21.39673      52.46069 
1 1 1 -8  12 24 o 274.0134 23.60637 18.10286       3.013080  14.38520       4.484388  21.16251       4.068222  237.8255 41.59940 294.3955 29.78666 -56.57001      51.16400 
1 1 1 -8  12 25 o 136.2771 43.50964 4.667214       3.147837  8.043996       5.922652  3.337792       3.716175  175.3239 59.84335 125.6084 46.86321 49.71550       76.00912 
1 1 1 -8  12 26 o 501.6143 18.20067 60.05289       4.294639  55.04165       6.037700  65.18491       6.110019  475.3443 27.11424 519.2672 25.01396 -43.92282      36.89011 
1 1 1 -8  12 27 o 191.6617 36.06021 9.446155       3.131802  8.059464       4.337987  10.95570       4.526072  171.8697 50.39081 200.8079 48.46804 -28.93817      69.91698 
1 1 1 -8  12 28 o 223.6879 36.74731 12.90689       3.732363  14.08145       6.912489  12.42355       4.434313  216.8988 63.61468 214.7016 45.32868 2.197220       78.11221 
1 1 1 -8  12 29 o 402.6468 20.83836 39.28186       3.933394  33.37379       5.521598  45.36898       5.604649  363.3850 32.65043 427.8618 28.00128 -64.47678      43.01305 
1 1 1 -8  12 30 o 154.4106 41.44641 6.542099       3.073507  7.858023       4.525859  5.415810       4.187075  164.5379 52.13289 141.4409 50.18594 23.09697       72.36343 
1 1 1 -8  12 31 o 200.0181 39.22874 10.91474       3.559108  13.66231       6.045341  9.457214       4.403062  206.6279 59.17405 178.1581 50.32217 28.46976       77.67811 
1 1 1 -8  12 32 o 245.4831 34.23571 16.09295       3.845794  13.44530       6.346010  17.62970       4.834733  196.5533 61.66221 249.2836 42.76961 -52.73024      75.04311 
1 1 1 -8  12 33 o 237.7749 39.06223 16.03729       4.217339  18.68312       5.716558  12.87753       6.247133  241.9028 51.79937 185.2989 61.44988 56.60387       80.36954 
1 1 1 -8  12 34 o 354.0202 29.83950 33.64292       4.922901  30.38050       6.431686  38.25803       7.649739  313.7871 44.84921 346.0173 48.31614 -32.23013      65.92345 
1 1 1 -8  14 1  o 437.3536 10.97003 45.00716       2.256886  45.18589       2.588826  44.44115       4.606847  438.1935 12.55937 433.7170 22.65886 4.476440       25.90679 
1 1 1 -8  14 2  o 662.3173 11.20193 103.2182       3.490022  104.1593       4.194161  101.0999       6.292818  665.2684 13.40229 655.1617 20.41866 10.10669       24.42423 
1 1 1 -8  14 3  o 1266.964 15.63413 377.8577       9.317667  384.0430       11.48272  365.9334       15.94344  1277.029 19.11502 1245.764 27.20677 31.26489       33.25044 
1 1 1 -8  14 4  o 896.4421 12.98260 189.1185       5.474610  188.2290       6.499803  191.2901       10.15602  894.2241 15.45199 900.9502 23.96367 -6.726074      28.51354 
1 1 1 -8  14 5  o 342.7109 18.34367 27.73547       2.946495  24.94352       3.711980  32.49109       4.844575  324.4019 24.50580 370.1212 28.03351 -45.71927      37.23456 
1 1 1 -8  14 6  o 1299.035 16.39846 397.2736       10.02059  406.0453       12.25848  379.6076       17.39651  1313.011 19.84719 1268.535 29.15347 44.47546       35.26806 
1 1 1 -8  14 7  o 1080.364 14.82615 274.7423       7.534731  271.6264       8.856475  282.9073       14.33672  1074.051 17.52939 1095.202 27.82828 -21.15088      32.88910 
1 1 1 -8  14 8  o 595.5798 11.18212 83.46918       3.132805  82.49689       3.727563  85.80791       5.781152  592.0398 13.38458 603.5331 20.36310 -11.49335      24.36807 
1 1 1 -8  14 9  o 349.0947 12.99276 28.68286       2.133605  29.10842       2.434349  27.27269       4.431371  351.6409 14.71683 338.8309 28.05501 12.80994       31.68073 
1 1 1 -8  14 10 o 1498.418 15.96579 528.6703       11.25363  524.3226       15.42743  533.6145       16.45200  1491.505 21.98870 1504.478 23.24683 -12.97278      31.99871 
1 1 1 -8  14 11 f 243.4313 15.69528 14.01170       1.787699  13.06386       2.574846  14.89382       2.483977  234.1789 23.70040 250.4777 21.28348 -16.29877      31.85428 
1 1 1 -8  14 12 o 348.6701 13.52316 28.62045       2.218003  29.46195       4.206296  28.29635       2.610410  352.4184 25.54646 346.6250 16.00957 5.793457       30.14843 
1 1 1 -8  14 13 o 574.1855 15.55744 77.65000       4.202034  78.07117       4.857237  76.39716       8.377500  575.6102 17.93872 567.4645 31.50780 8.145630       36.25657 
1 1 1 -8  14 14 o 761.0027 12.16130 136.3398       4.353470  137.6618       6.577001  135.3090       5.807945  764.2264 18.29518 757.8353 16.29215 6.391174       24.49791 
1 1 1 -8  14 15 o 493.2078 13.26620 57.28725       3.077838  59.92341       4.750799  55.38050       4.040419  504.0128 20.03806 484.6859 17.72135 19.32693       26.75014 
1 1 1 -8  14 16 f 301.6303 15.69878 21.50184       2.219766  25.71667       3.904469  19.48896       2.698246  328.7839 25.44348 286.6584 20.13781 42.12543       32.44845 
1 1 1 -8  14 17 o 419.6033 16.10211 41.52155       3.178272  42.06302       7.110604  41.38636       3.552945  418.5149 36.48308 418.7780 18.03580 -0.2630615     40.69773 
1 1 1 -8  14 18 o 657.8651 13.25323 102.0155       4.101361  105.1250       6.370268  99.81407       5.360068  666.8311 20.30826 650.1947 17.52498 16.63635       26.82443 
1 1 1 -8  14 19 o 755.1447 13.86961 134.5130       4.926788  143.1954       7.703835  128.5047       6.408654  777.6597 21.05950 737.2563 18.47902 40.40338       28.01744 
1 1 1 -8  14 20 o 382.5777 17.04367 34.60835       3.067270  28.15061       4.833159  38.96316       3.968953  341.8057 30.37612 404.8678 20.91119 -63.06213      36.87799 
1 1 1 -8  14 21 o 312.1049 22.27163 23.27334       3.248340  24.73592       4.555020  21.75981       4.633683  319.6432 30.67050 298.7680 33.55026 20.87515       45.45657 
1 1 1 -8  14 22 o 667.6524 25.22109 106.5873       7.921065  101.9917       10.68775  112.1879       11.79860  647.2175 35.23757 677.6071 37.15722 -30.38965      51.20884 
1 1 1 -8  14 23 o 436.7361 17.43851 45.28594       3.582595  44.65104       5.614072  45.72211       4.653230  429.6897 27.92653 436.8487 22.72248 -7.158966      36.00280 
1 1 1 -8  14 24 o 267.6255 26.48625 17.43089       3.290624  16.32283       7.030964  17.74168       3.723611  242.8220 61.49037 268.7905 29.95946 -25.96855      68.40054 
1 1 1 -8  14 25 o 222.3218 27.78279 12.16523       2.842109  9.118378       4.345353  14.44310       3.757192  184.4545 49.18112 239.9528 34.25917 -55.49832      59.93724 
1 1 1 -8  14 26 o 119.8043 42.84146 3.310379       3.056909  7.737813       5.877939  1.668949       3.578988  170.4342 59.54794 109.1641 44.41026 61.27014       74.28477 
1 1 1 -8  14 27 o 176.4036 50.25364 8.546039       4.371749  8.546039       4.371749  0.000000       0.000000  176.4036 50.25364 ?        ?        0.000000       50.25364 
1 1 1 -8  14 28 o 280.3441 25.16679 19.30900       3.283505  19.85269       4.747957  18.81061       4.545792  277.5243 37.31501 270.4350 36.68016 7.089325       52.32441 
1 1 1 -8  14 29 o 69.98466 33.01699 -2.674593      2.834581  -3.454648      4.024977  -1.907028      3.992624  83.38005 39.33874 89.77077 41.26430 -6.390717      57.01122 
1 1 1 -8  14 30 o 254.8414 40.04437 17.47767       4.642128  0.000000       0.000000  17.47767       4.642128  ?        ?        254.8414 40.04437 0.000000       40.04437 
1 1 1 -8  14 31 o 156.6332 43.35733 7.045124       3.303284  3.284780       5.266296  9.484264       4.241406  125.8634 52.77885 177.8610 49.08823 -51.99760      72.07816 
1 1 1 -8  14 32 o 92.34293 41.22433 0.3464110E-01  3.648240  2.330856       4.792319  -3.130202      5.626205  114.6204 49.28321 96.87842 45.94568 17.74200       67.37834 
1 1 1 -8  14 33 o 103.9059 46.89349 0.8052914      4.864710  0.8052914      4.864710  0.000000       0.000000  103.9059 46.89349 ?        ?        0.000000       46.89349 
1 1 1 -8  16 1  o 1729.307 24.05764 704.7639       19.57016  704.7639       19.57016  0.000000       0.000000  1729.307 24.05764 ?        ?        0.000000       24.05764 
1 1 1 -8  16 2  o 1657.139 16.51250 646.4997       12.87185  656.9451       18.40588  636.5013       18.00772  1669.671 23.43455 1643.505 23.29263 26.16602       33.04126 
1 1 1 -8  16 3  o 772.4700 12.42487 140.4237       4.514845  137.6360       5.260780  148.2164       8.795694  764.6832 14.62512 793.0493 23.57765 -28.36615      27.74527 
1 1 1 -8  16 4  o 344.7401 14.11667 27.97300       2.289250  27.42273       2.603991  29.84542       4.803503  341.2929 16.21971 354.4960 29.06113 -13.20316      33.28105 
1 1 1 -8  16 5  o 743.4598 16.40638 130.1356       5.737724  123.5434       7.332572  140.5470       9.214962  724.1188 21.52669 772.0812 25.37238 -47.96240      33.27395 
1 1 1 -8  16 6  o 929.0694 14.02619 203.1761       6.129952  204.5871       7.225904  199.5541       11.57758  932.1521 16.47920 919.8093 26.75782 12.34277       31.42523 
1 1 1 -8  16 7  o 696.6381 13.27236 114.2277       4.349355  113.4379       5.009310  116.6469       8.766748  694.1401 15.34127 703.2087 26.50239 -9.068542      30.62240 
1 1 1 -8  16 8  o 1401.698 21.06359 463.0175       13.88853  463.0175       13.88853  0.000000       0.000000  1401.698 21.06359 ?        ?        0.000000       21.06359 
1 1 1 -8  16 9  o 162.1598 19.38668 6.283867       1.449504  5.745691       1.503135  13.42450       5.475253  154.6992 21.21445 233.0116 51.33801 -78.31245      55.54857 
1 1 1 -8  16 10 o 532.3358 12.38923 66.70395       3.102410  62.55689       3.584088  79.09714       6.195835  515.4366 14.78203 579.1442 22.74280 -63.70764      27.12459 
1 1 1 -8  16 11 o 518.0304 12.72356 63.17484       3.100510  61.76982       3.843913  65.79115       5.245374  512.1043 15.95680 528.2283 21.10987 -16.12396      26.46216 
1 1 1 -8  16 12 o 1009.571 13.17372 239.9844       6.256259  268.7180       9.620465  218.9284       8.235482  1067.658 19.15554 963.7956 18.16497 103.8627       26.39889 
1 1 1 -8  16 13 o 599.5384 12.06972 84.62911       3.403951  81.38757       4.957345  87.52087       4.682253  587.5796 17.93549 609.4351 16.33270 -21.85553      24.25776 
1 1 1 -8  16 14 o 448.0894 17.81621 47.34660       3.755341  52.13047       4.287043  31.56956       7.785397  470.0706 19.38766 360.2520 47.06657 109.8186       50.90327 
1 1 1 -8  16 15 o 477.3212 12.48940 53.66709       2.804281  47.71918       4.290509  58.10299       3.705252  449.5456 20.28924 496.4294 15.86686 -46.88379      25.75675 
1 1 1 -8  16 16 f 836.1487 16.88929 164.9726       6.643001  164.0976       7.609202  167.7765       13.62161  833.4972 19.40733 838.9303 34.51703 -5.433105      39.59886 
1 1 1 -8  16 17 o 583.8212 12.85550 80.34644       3.530517  74.79765       5.530384  84.16326       4.586774  562.2726 20.90928 597.1199 16.32964 -34.84735      26.53026 
1 1 1 -8  16 18 f 346.2126 18.64523 28.42989       3.025353  0.000000       0.000000  28.42989       3.025353  ?        ?        346.2126 18.64523 0.000000       18.64523 
1 1 1 -8  16 19 o 614.3301 13.69566 89.08027       3.957803  89.57084       6.203596  88.74354       5.139679  614.4397 21.46322 612.4138 17.84110 2.025940       27.91012 
1 1 1 -8  16 20 o 352.8949 16.14719 29.46091       2.680475  28.39299       4.512975  30.04299       3.331840  343.3233 28.19306 355.2652 20.01869 -11.94189      34.57740 
1 1 1 -8  16 21 o 146.3318 44.92898 5.347558       3.389675  7.234216       3.897995  -0.5041618     6.864935  167.9772 47.31366 131.7509 57.78244 36.22626       74.68195 
1 1 1 -8  16 22 f 340.2713 17.94925 27.57544       2.862871  24.33761       4.687255  29.50202       3.615640  315.2860 32.04977 350.9106 22.01532 -35.62457      38.88267 
1 1 1 -8  16 23 o 153.6411 34.06453 5.986865       2.397367  5.234739       3.880773  6.451025       3.048647  145.3158 48.44444 158.1250 40.73537 -12.80913      63.29482 
1 1 1 -8  16 24 o 303.7475 21.25257 22.18927       3.017507  15.05018       4.660178  27.34343       3.959682  241.6065 42.55855 335.8802 25.24615 -94.27379      49.48331 
1 1 1 -8  16 25 o 409.7028 17.87820 40.02974       3.445576  35.24866       5.218634  43.72460       4.587677  378.9893 29.50508 425.7107 22.99443 -46.72144      37.40714 
1 1 1 -8  16 26 o 301.6494 21.58950 21.98969       3.043221  12.10353       4.306508  31.85070       4.301027  213.7344 44.28889 361.5352 25.45263 -147.8008      51.08172 
1 1 1 -8  16 27 o 193.4356 32.30827 9.511182       2.836120  5.890632       4.278690  12.34860       3.787786  149.4013 50.86495 217.9789 38.34019 -68.57758      63.69625 
1 1 1 -8  16 28 o 300.5588 24.14815 22.16031       3.385329  17.66094       4.743702  26.83007       4.832694  258.8728 40.26335 326.0830 31.91503 -67.21024      51.37807 
1 1 1 -8  16 29 o 105.4505 41.29578 2.213721       2.978220  -2.661712      4.993533  4.905446       3.710365  97.06292 45.15029 135.4931 47.31266 -38.43018      65.39906 
1 1 1 -8  16 30 o 97.55985 40.38781 1.398985       3.027100  -4.509513      4.932903  4.967928       3.833838  88.41135 42.23698 134.3182 47.98347 -45.90688      63.92476 
1 1 1 -8  16 31 o 88.50167 38.28140 0.5334893      2.926296  -1.588882      4.381809  2.242078       3.931528  92.33681 42.72357 109.8201 45.79147 -17.48328      62.62716 
1 1 1 -8  16 32 o 159.0560 46.55370 7.897881       3.705322  5.502378       4.991446  10.83829       5.530087  133.7573 53.12026 174.0047 57.82114 -40.24739      78.51781 
1 1 1 -8  18 1  f 743.4623 15.60837 130.1333       5.458656  0.000000       0.000000  130.1333       5.458656  ?        ?        743.4623 15.60837 0.000000       15.60837 
1 1 1 -8  18 2  f 942.3972 11.60446 209.0016       5.144323  204.3364       6.964272  214.6039       7.631808  931.5928 15.89206 954.6398 16.99490 -23.04700      23.26767 
1 1 1 -8  18 3  o 477.6451 10.79471 53.68646       2.425412  49.18774       3.158258  60.15381       3.786751  457.0987 14.68819 505.4500 15.92646 -48.35129      21.66553 
1 1 1 -8  18 4  o 309.9804 22.00313 22.76132       3.187551  25.10999       4.188024  19.52735       4.914348  325.0320 27.65418 284.8365 37.59640 40.19543       46.67165 
1 1 1 -8  18 5  o 1139.847 15.38158 305.9154       8.247396  304.0101       9.769191  310.6421       15.38725  1136.039 18.28083 1147.113 28.51582 -11.07324      33.87241 
1 1 1 -8  18 6  o 1009.237 14.72918 239.8157       6.992640  244.1441       8.351731  229.6671       12.78848  1018.091 17.43896 986.3692 27.56196 31.72211       32.61562 
1 1 1 -8  18 7  o 422.4294 17.27594 42.03474       3.432932  42.03474       3.432932  0.000000       0.000000  422.4294 17.27594 ?        ?        0.000000       17.27594 
1 1 1 -8  18 8  o 629.8016 13.89996 93.39124       4.118004  95.03320       4.762413  88.52557       8.198159  635.2082 15.93828 612.1429 28.47044 23.06531       32.62813 
1 1 1 -8  18 9  o 1054.121 15.34757 261.7151       7.610260  258.7652       8.813168  270.3627       15.08980  1047.902 17.87896 1069.286 29.99995 -21.38379      34.92355 
1 1 1 -8  18 10 o 640.1935 19.36064 96.63383       5.830425  95.06541       7.564073  98.92986       9.151920  634.4213 25.34595 646.6323 30.08746 -12.21100      39.34047 
1 1 1 -8  18 11 o 413.8179 16.68913 40.35972       3.248719  40.33889       3.955574  40.40289       5.694570  413.5059 20.33567 412.0975 29.57257 1.408386       35.88978 
1 1 1 -8  18 12 o 697.0734 16.68744 114.5535       5.471893  114.5535       5.471893  0.000000       0.000000  697.0734 16.68744 ?        ?        0.000000       16.68744 
1 1 1 -8  18 13 o 916.5128 13.39543 197.9101       5.775164  201.1720       7.886573  194.1385       8.480345  923.3666 18.15703 906.7953 19.88085 16.57129       26.92445 
1 1 1 -8  18 14 o 480.3722 13.74001 54.38873       3.104805  58.26014       4.346911  50.35672       4.436162  496.7400 18.60297 461.6366 20.42856 35.10342       27.62964 
1 1 1 -8  18 15 o 669.2953 12.42410 105.5703       3.911579  122.7455       6.338151  95.00461       4.971207  720.7803 18.69349 634.4158 16.65783 86.36450       25.03857 
1 1 1 -8  18 16 o 199.2628 19.67392 9.482706       1.820031  6.394594       3.510832  10.61761       2.128354  160.1501 44.83005 210.6178 21.79771 -50.46768      49.84851 
1 1 1 -8  18 17 o 206.5372 20.20753 10.19846       1.938123  9.075506       4.661679  10.43313       2.131033  188.9742 51.17851 208.6041 22.05117 -19.62990      55.72696 
1 1 1 -8  18 18 o 234.5561 18.16814 13.10215       1.988956  10.47238       3.776781  14.11137       2.339683  204.3139 40.72585 243.0495 20.66000 -38.73560      45.66652 
1 1 1 -8  18 19 o 309.9149 15.84824 22.78057       2.302703  22.61736       4.185085  22.85143       2.757655  305.7039 29.46770 309.8329 19.01285 -4.129059      35.06898 
1 1 1 -8  18 20 o 191.6431 23.31740 8.887053       2.058727  10.34827       3.784471  8.272890       2.453525  201.9038 41.24058 183.2891 29.45423 18.61462       50.67876 
1 1 1 -8  18 21 o 137.4440 32.43791 4.761250       2.063477  2.730757       3.802683  5.608663       2.456615  121.9621 46.96577 148.7268 35.58957 -26.76466      58.92708 
1 1 1 -8  18 22 o 300.3632 27.51276 21.93485       3.844125  19.59481       4.339224  30.46968       8.287013  281.5723 33.41272 340.7643 53.45698 -59.19208      63.04013 
1 1 1 -8  18 23 o 130.7005 34.96532 4.347875       2.191780  8.751487       4.757837  3.161626       2.469408  181.0317 52.68633 115.2364 38.64488 65.79534       65.33970 
1 1 1 -8  18 24 o 278.1598 20.46632 18.60782       2.659147  16.80270       4.414747  19.63561       3.331241  257.6771 37.52350 284.2081 25.17787 -26.53098      45.18781 
1 1 1 -8  18 25 o 367.1231 20.20659 32.39120       3.476152  28.79608       7.417818  33.40288       3.934975  329.3968 49.39560 371.8434 22.60360 -42.44666      54.32171 
1 1 1 -8  18 26 o 180.9431 32.34535 8.328064       2.652061  6.109839       4.169009  9.835883       3.437199  151.7909 50.19259 194.0414 39.00930 -42.25049      63.56903 
1 1 1 -8  18 27 o 151.2629 36.42918 6.021507       2.561189  2.494783       3.928135  8.629486       3.377945  117.1587 46.92679 179.6277 40.89419 -62.46902      62.24515 
1 1 1 -8  18 28 o 109.6895 39.31009 2.875401       2.575055  2.167271       3.813014  3.469160       3.491540  112.4502 45.80358 121.2450 45.38742 -8.794807      64.48244 
1 1 1 -8  18 29 o 109.3653 40.83360 2.804209       2.822453  -1.018430      4.684011  4.983447       3.536621  100.0717 45.50159 134.7011 46.23919 -34.62943      64.87263 
1 1 1 -8  18 30 o 265.5653 26.68850 17.89563       3.288865  6.780619       4.922252  26.85981       4.420427  149.0236 54.21989 323.3812 29.37954 -174.3576      61.66809 
1 1 1 -8  18 31 o 190.5771 57.66205 12.54756       5.610880  0.000000       0.000000  12.54756       5.610880  ?        ?        190.5771 57.66205 0.000000       57.66205 
1 1 1 -8  20 1  o 755.0328 16.11565 134.2673       5.723780  0.000000       0.000000  134.2673       5.723780  ?        ?        755.0328 16.11565 0.000000       16.11565 
1 1 1 -8  20 2  o 195.3240 16.33142 9.048862       1.486776  8.747108       1.813909  9.666616       2.595354  191.5486 20.44706 200.3388 28.32998 -8.790207      34.93809 
1 1 1 -8  20 3  o 399.8814 13.57339 37.64850       2.553225  36.05687       2.884917  43.40072       5.484401  391.2705 15.67426 427.8047 27.39695 -36.53418      31.56383 
1 1 1 -8  20 4  o 251.4004 19.34935 14.98527       2.270661  13.01651       2.553676  22.41974       4.962430  233.6997 23.55040 305.6772 35.15123 -71.97752      42.31111 
1 1 1 -8  20 5  o 435.3742 14.18707 44.63738       2.905527  44.59253       3.286568  44.79786       6.216743  435.0803 16.05846 434.1176 30.63963 0.9627686      34.59279 
1 1 1 -8  20 6  o 296.1993 17.44843 20.74742       2.420401  20.21716       2.680525  23.08859       5.632379  292.1651 19.61775 309.2947 39.62337 -17.12961      44.21388 
1 1 1 -8  20 7  o 801.7305 16.20005 151.4588       6.109620  151.4588       6.109620  0.000000       0.000000  801.7305 16.20005 ?        ?        0.000000       16.20005 
1 1 1 -8  20 8  o 349.0438 16.60247 28.71543       2.725976  29.59276       3.040832  25.12485       6.151634  353.7829 18.33490 322.1559 41.56263 31.62698       45.42709 
1 1 1 -8  20 9  o 752.6990 14.35337 133.4858       5.082117  134.1019       5.810586  131.4804       10.48314  754.2368 16.37732 744.8683 29.91868 9.368530       34.10783 
1 1 1 -8  20 10 o 893.5025 18.09625 188.3469       7.605955  183.3532       9.292410  198.4840       13.23952  880.8580 22.42607 914.5953 30.77330 -33.73724      38.07788 
1 1 1 -8  20 11 o 575.9550 14.11725 78.18391       3.824792  76.62298       4.210443  85.55292       9.148268  570.0365 15.70203 598.9469 32.59259 -28.91040      36.17777 
1 1 1 -8  20 12 o 172.8610 22.97919 7.193528       1.822233  7.230549       1.927366  6.881689       5.593788  173.0733 24.34674 172.4472 58.16159 0.6261139      63.05183 
1 1 1 -8  20 13 o 456.2371 17.78408 49.16150       3.816728  52.74920       4.243750  33.97741       8.730430  472.4419 19.09555 370.5172 51.48196 101.9247       54.90931 
1 1 1 -8  20 14 o 360.7985 17.67876 30.75954       3.000447  36.66248       3.846249  21.58278       4.795658  392.9979 20.88041 298.3372 34.82760 94.66077       40.60730 
1 1 1 -8  20 15 o 638.6332 16.46373 96.36415       4.945942  95.50114       5.656199  99.16766       10.19457  635.3041 18.92665 642.3306 33.85929 -7.026550      38.79008 
1 1 1 -8  20 16 o 287.6547 17.27018 19.64158       2.326067  16.54066       3.690176  21.68596       2.996277  261.1799 30.61659 301.6222 21.25377 -40.44223      37.27061 
1 1 1 -8  20 17 o 462.9879 13.16070 50.60610       2.866276  50.60397       4.771150  50.60730       3.585374  461.4395 21.98057 462.5033 16.47974 -1.063812      27.47231 
1 1 1 -8  20 18 o 451.5194 13.23851 48.15622       2.811802  43.61172       4.693848  50.69975       3.511596  427.1220 23.45164 462.8113 16.12989 -35.68930      28.46319 
1 1 1 -8  20 19 o 89.09143 32.44370 1.597290       1.762982  0.8029132      5.423606  1.691142       1.864219  124.5448 52.95757 91.56874 33.35972 32.97602       62.58893 
1 1 1 -8  20 20 o 191.2293 20.46208 8.805301       1.812096  15.16907       3.723875  6.830853       2.074248  248.0392 32.71400 166.4874 27.44188 81.55171       42.69968 
1 1 1 -8  20 21 o 298.9752 16.04322 21.26147       2.248056  20.37584       3.949767  21.68583       2.734111  288.8532 29.48192 301.1814 19.40151 -12.32819      35.29308 
1 1 1 -8  20 22 o 172.1337 24.34898 7.248581       1.916575  2.958091       3.644481  8.888721       2.253319  121.9126 46.21060 190.5236 25.80640 -68.61095      52.92815 
1 1 1 -8  20 23 o 503.3704 20.58533 60.60405       4.874329  58.56200       5.509932  67.95482       10.45395  493.4660 23.73667 517.0241 43.38445 -23.55814      49.45341 
1 1 1 -8  20 24 o 178.5170 27.55138 7.910907       2.239154  2.698627       3.797146  10.68972       2.772511  119.7804 46.70574 207.4603 29.21935 -87.67989      55.09262 
1 1 1 -8  20 25 o 205.8381 26.98032 10.48950       2.549508  4.741498       3.895889  14.79489       3.371742  137.9735 48.46406 243.6710 30.05265 -105.6974      57.02567 
1 1 1 -8  20 26 o 305.2022 22.45881 22.66865       3.201709  21.35256       6.642693  23.06693       3.654181  276.5248 52.99604 306.3759 25.58939 -29.85107      58.85063 
1 1 1 -8  20 27 o 113.8146 37.83463 3.282410       2.367676  4.400651       3.880571  2.619257       2.988372  132.0546 48.12739 110.0014 41.80888 22.05318       63.75130 
1 1 1 -8  20 28 o 70.02667 32.54944 -1.800289      2.587399  -1.555291      4.335826  -1.935787      3.224462  94.28612 43.21464 78.83738 36.53809 15.44874       56.59096 
1 1 1 -8  20 29 o 160.8364 44.91740 7.513469       3.528819  9.860286       4.480647  3.680143       5.726496  180.1104 50.72507 130.3591 54.86941 49.75128       74.72406 
1 1 1 -8  22 1  o 398.4818 10.76108 37.38089       2.017129  38.66793       2.571312  35.32149       3.252589  405.1788 13.49083 387.0421 17.86495 18.13675       22.38658 
1 1 1 -8  22 2  o 744.6910 10.87434 130.5574       3.809326  126.3635       5.031185  136.1913       5.831351  732.3551 14.60425 760.1412 16.30818 -27.78613      21.89157 
1 1 1 -8  22 3  o 316.9759 16.43107 23.74714       2.441567  21.53092       4.317914  24.78880       2.960256  299.8044 31.06825 323.5520 19.54153 -23.74759      36.70297 
1 1 1 -8  22 4  o 248.8753 15.26887 14.65175       1.778912  14.47552       2.364668  14.88152       2.700091  246.7932 20.55584 249.9000 23.23515 -3.106735      31.02281 
1 1 1 -8  22 5  o 490.6561 13.87101 56.72081       3.201509  57.23404       3.625803  54.90488       6.820252  492.7556 15.64240 480.2407 30.34670 12.51489       34.14098 
1 1 1 -8  22 6  o 521.6581 16.24758 64.16541       3.986980  64.16541       3.986980  0.000000       0.000000  521.6581 16.24758 ?        ?        0.000000       16.24758 
1 1 1 -8  22 7  o 621.4875 17.10048 91.11552       4.999309  90.01190       6.114388  93.34127       8.683218  617.2402 21.05860 627.2128 29.43042 -9.972595      36.18859 
1 1 1 -8  22 8  o 428.6031 11.50876 43.26902       2.320348  43.26902       2.320348  0.000000       0.000000  428.6031 11.50876 ?        ?        0.000000       11.50876 
1 1 1 -8  22 9  o 260.1567 13.74803 15.99854       1.676487  16.50202       1.766166  11.41498       5.328927  264.1803 14.26509 212.7012 53.35241 51.47906       55.22655 
1 1 1 -8  22 10 o 458.2513 15.32058 49.53975       3.302541  49.30122       3.687956  50.50536       7.420200  456.9723 17.15641 458.6241 34.65024 -1.651825      38.66499 
1 1 1 -8  22 11 o 540.5712 15.05232 68.94904       3.827593  70.15770       4.339617  64.71463       8.122595  545.0598 16.92537 519.4513 33.41887 25.60846       37.46049 
1 1 1 -8  22 12 f 506.8272 12.36766 60.56011       2.948605  60.41768       3.163214  61.50417       8.143971  506.1388 13.28586 505.6342 34.44495 0.5045776      36.91840 
1 1 1 -8  22 13 o 511.0074 12.58520 61.58435       3.025217  64.38408       3.299064  46.78954       7.583808  522.3964 13.42521 439.4392 37.03273 82.95724       39.39111 
1 1 1 -8  22 14 o 867.7486 18.84697 178.2979       7.693162  178.2979       7.693162  0.000000       0.000000  867.7486 18.84697 ?        ?        0.000000       18.84697 
1 1 1 -8  22 15 o 690.7759 14.83350 112.7508       4.820034  129.1385       6.526108  93.08239       7.149590  738.2450 18.79250 625.2166 24.30980 113.0284       30.72660 
1 1 1 -8  22 16 f 279.6693 28.70090 18.93175       3.722284  18.95065       4.414770  18.88526       6.922751  278.0999 34.48724 269.3107 56.45087 8.789185       66.15187 
1 1 1 -8  22 17 o 150.7315 32.64938 5.688206       2.248010  9.712579       3.303403  2.217026       3.067969  196.8926 37.02579 110.8958 42.31086 85.99681       56.22382 
1 1 1 -8  22 18 o 262.8347 18.35458 16.47603       2.255077  17.22160       3.655632  16.01802       2.865194  265.8519 29.74124 257.9026 23.88850 7.949249       38.14710 
1 1 1 -8  22 19 o 259.6407 16.88494 16.05507       2.051042  14.64325       3.580544  16.74458       2.502264  243.9753 31.96767 264.4705 20.26769 -20.49515      37.85117 
1 1 1 -8  22 20 o 303.2591 16.88342 21.89442       2.398935  14.16469       6.073419  23.32332       2.611269  229.6929 56.58091 312.8169 17.81941 -83.12402      59.32058 
1 1 1 -8  22 21 o 120.1009 29.80259 3.632964       1.675729  9.081894       3.478784  1.986614       1.912198  187.8980 40.54792 95.66100 33.91802 92.23698       52.86366 
1 1 1 -8  22 22 f 97.74632 32.08994 2.266866       1.705214  2.197847       3.509560  2.288195       1.950985  113.6158 44.72519 99.93553 34.34118 13.68027       56.38847 
1 1 1 -8  22 23 o 398.9548 14.84054 37.80259       2.785112  31.73164       4.631529  41.24137       3.485768  360.3330 27.53281 415.8151 17.82087 -55.48203      32.79694 
1 1 1 -8  22 24 o 371.2897 16.69239 32.88187       2.915417  30.50145       4.396401  34.75030       3.895025  352.9061 26.68018 379.1964 21.92980 -26.29028      34.53618 
1 1 1 -8  22 25 o 175.5792 27.53364 7.726660       2.199297  7.541059       3.669272  7.830726       2.747532  166.2711 45.56229 173.8317 34.81427 -7.560547      57.34070 
1 1 1 -8  22 26 o 99.73573 36.27933 2.243946       2.203590  -1.363364      3.388235  4.888202       2.900905  84.86446 38.63039 135.1168 41.57671 -50.25232      56.75323 
1 1 1 -8  22 27 f 268.2187 30.10847 18.30710       3.733199  0.000000       0.000000  18.30710       3.733199  ?        ?        268.2187 30.10847 0.000000       30.10847 
1 1 1 -8  24 1  o 393.2448 11.16104 36.42184       2.064604  40.25752       2.691340  30.93660       3.218435  413.2807 13.84376 361.4615 18.99498 51.81918       23.50444 
1 1 1 -8  24 2  o 201.1967 16.03880 9.608653       1.505355  9.057928       1.822526  10.79102       2.670437  194.7679 20.18545 211.5750 27.48063 -16.80713      34.09748 
1 1 1 -8  24 3  o 785.5582 13.84781 145.4631       5.117155  139.0309       8.710503  148.8528       6.323360  766.2713 24.16525 794.2268 16.92521 -27.95551      29.50292 
1 1 1 -8  24 4  o 546.0441 10.99074 70.22913       2.823084  70.63277       3.835114  69.75170       4.170874  547.2831 14.89694 543.7172 16.30740 3.565857       22.08733 
1 1 1 -8  24 5  o 647.3724 27.53505 99.49466       8.385121  0.000000       0.000000  99.49466       8.385121  ?        ?        647.3724 27.53505 0.000000       27.53505 
1 1 1 -8  24 6  o 406.3197 14.99024 38.94383       2.865139  39.59330       3.232485  36.56362       6.188198  409.5433 16.77905 389.9351 34.07903 19.60828       37.98575 
1 1 1 -8  24 7  o 268.7708 12.61639 17.02746       1.595095  16.91974       1.671587  18.12426       5.334017  267.8886 13.26495 271.0276 43.29517 -3.139008      45.28168 
1 1 1 -8  24 8  o 142.7550 18.46391 4.896063       1.210839  5.216268       1.246144  -0.5160524     5.123158  147.4382 18.36569 116.1311 50.44188 31.30712       53.68130 
1 1 1 -8  24 9  o 47.13046 22.10839 -1.282684      1.239262  -1.649622      1.281038  4.069561       4.892533  45.62762 21.72174 144.2955 53.78392 -98.66785      58.00470 
1 1 1 -8  24 10 o 257.0503 14.62444 15.64646       1.761034  16.08250       1.854750  11.65577       5.611078  260.5492 15.19902 213.2695 55.42335 47.27974       57.46963 
1 1 1 -8  24 11 o 306.0292 14.43642 22.11018       2.078221  22.41435       2.193950  19.45303       6.484459  308.0696 15.13940 277.1115 51.64516 30.95813       53.81843 
1 1 1 -8  24 12 o 405.9402 18.20607 39.00726       3.476543  39.00726       3.476543  0.000000       0.000000  405.9402 18.20607 ?        ?        0.000000       18.20607 
1 1 1 -8  24 13 o 107.6659 37.27079 2.560044       2.300102  3.842920       2.514745  -4.007135      5.689721  125.6874 38.71652 105.7373 48.83942 19.95009       62.32381 
1 1 1 -8  24 14 o 516.8036 13.05215 63.05762       3.173050  63.05877       3.403645  63.04994       8.769859  516.6604 14.00457 508.8744 36.88683 7.785980       39.45588 
1 1 1 -8  24 15 o 263.5130 20.64699 16.59520       2.538866  15.20015       2.708743  26.68252       7.283838  251.5995 23.14656 324.5847 49.25140 -72.98526      54.41933 
1 1 1 -8  24 16 o 352.2320 24.50959 29.75999       4.035711  32.34245       4.819621  23.70095       7.382401  366.1407 28.20013 302.9572 53.77147 63.18350       60.71753 
1 1 1 -8  24 17 o 264.0009 28.65697 16.94027       3.501662  16.94027       3.501662  0.000000       0.000000  264.0009 28.65697 ?        ?        0.000000       28.65697 
1 1 1 -8  24 18 o 355.8709 19.94418 30.22690       3.325256  32.77368       4.127093  25.51427       5.614097  369.4656 23.87426 320.6853 37.95230 48.78030       44.83701 
1 1 1 -8  24 19 o 343.0591 17.55201 28.02702       2.822984  26.74423       4.202635  29.08170       3.810687  332.2530 27.12623 347.8174 23.42714 -15.56436      35.84220 
1 1 1 -8  24 20 o 328.5935 16.61604 25.71005       2.560018  26.08243       4.267777  25.50075       3.199567  327.3555 27.98378 326.0736 20.97084 1.281952       34.96953 
1 1 1 -8  24 21 o 358.9092 19.26826 30.83228       3.241197  0.000000       0.000000  30.83228       3.241197  ?        ?        358.9092 19.26826 0.000000       19.26826 
1 1 1 -8  24 22 o 563.2925 22.17709 76.28872       5.876352  76.28872       5.876352  0.000000       0.000000  563.2925 22.17709 ?        ?        0.000000       22.17709 
1 1 1 -8  24 23 o 246.0477 19.33073 14.59703       2.219353  7.935540       3.646941  18.51497       2.796866  171.8771 44.68974 276.4519 21.68098 -104.5748      49.67129 
1 1 1 -8  24 24 o 129.5550 31.83416 4.339121       1.926184  8.408170       3.300607  2.237604       2.371995  177.6678 40.40532 101.6474 37.53564 76.02042       55.14993 
1 1 1 -8  24 25 o 274.9680 18.48761 18.27412       2.377393  16.38413       3.548663  19.81311       3.202243  254.6669 30.21179 283.6941 24.22809 -29.02719      38.72664 
1 1 1 -8  26 1  o 617.5278 11.00417 89.84901       3.196562  98.65485       4.514460  80.99493       4.526807  646.6182 14.84187 585.6820 16.43088 60.93622       22.14170 
1 1 1 -8  26 2  o 404.4105 11.57130 38.54228       2.201273  40.57207       2.886069  35.71903       3.403727  414.6644 14.79588 388.7118 18.61477 25.95264       23.77872 
1 1 1 -8  26 3  o 482.2791 15.78863 54.91058       3.581891  54.91058       3.581891  0.000000       0.000000  482.2791 15.78863 ?        ?        0.000000       15.78863 
1 1 1 -8  26 4  o 88.75871 30.72708 1.700096       1.563344  2.442841       2.036548  0.6344521      2.439386  104.2112 35.09408 88.52845 36.41299 15.68276       50.57173 
1 1 1 -8  26 5  o 274.6837 19.70415 17.94557       2.529093  17.94557       2.529093  0.000000       0.000000  274.6837 19.70415 ?        ?        0.000000       19.70415 
1 1 1 -8  26 6  o 352.1609 15.96688 29.29127       2.645029  27.72217       2.897741  37.12842       6.476100  341.9275 18.08017 391.7622 35.52805 -49.83475      39.86396 
1 1 1 -8  26 7  o 188.5375 15.16535 8.447026       1.333614  8.104667       1.375745  13.78121       5.430392  184.5411 16.00659 232.7766 51.00278 -48.23557      53.45554 
1 1 1 -8  26 8  o 532.5336 10.51538 66.83262       2.634154  66.48202       2.785530  69.79787       8.100919  531.0699 11.15031 538.9230 32.10043 -7.853088      33.98186 
1 1 1 -8  26 9  o 325.4003 12.08332 24.97207       1.849582  24.86452       1.921646  26.32581       6.817851  324.6617 12.58267 325.4635 45.79931 -0.8017883     47.49633 
1 1 1 -8  26 10 o 305.2894 13.53108 21.99917       1.943182  22.18778       2.035467  20.05945       6.527442  306.5474 14.11553 281.1762 51.23877 25.37122       53.14753 
1 1 1 -8  26 11 o 182.5423 21.05612 8.009721       1.774895  8.009721       1.774895  0.000000       0.000000  182.5423 21.05612 ?        ?        0.000000       21.05612 
1 1 1 -8  26 12 o 290.6496 14.78070 20.01258       2.014189  19.05381       2.102535  30.70749       7.022216  283.4313 15.83309 352.0346 43.31925 -68.60330      46.12206 
1 1 1 -8  26 13 o 252.1768 17.33327 15.12811       2.043665  16.00402       2.165139  7.972653       6.188355  259.3197 17.85815 180.3753 61.17290 78.94443       63.72626 
1 1 1 -8  26 14 o 176.4998 30.56481 7.691190       2.445763  6.802673       2.630489  13.35910       6.643775  164.7191 35.02677 224.5003 61.22215 -59.78120      70.53387 
1 1 1 -8  26 15 o 169.6895 26.72302 7.054558       2.062537  7.055675       2.181893  7.045185       6.322728  169.2910 28.40483 172.7238 61.62953 -3.432755      67.86040 
1 1 1 -8  26 16 o 234.6628 20.41372 13.19782       2.230937  14.19808       2.400636  6.863853       6.041004  243.2856 21.18842 169.5620 60.26857 73.72354       63.88466 
1 1 1 -8  26 17 o 268.8026 19.66746 17.28346       2.469592  17.28346       2.469592  0.000000       0.000000  268.8026 19.66746 ?        ?        0.000000       19.66746 
1 1 1 -8  26 18 o 184.0512 33.46749 8.495084       2.790813  6.859023       3.098667  15.52319       6.422356  163.2374 40.53845 239.6141 57.67408 -76.37671      70.49586 
1 1 1 -8  26 19 o 83.26526 35.22707 0.2885103      2.379913  0.9707915E-01  3.101743  0.5625340      3.711022  92.31065 39.66851 103.3873 43.87822 -11.07669      59.15140 
1 1 1 -8  26 20 o 182.1014 33.05693 8.373731       2.727394  5.716410       4.265440  10.21161       3.547322  150.1767 50.78780 199.1039 39.27015 -48.92714      64.19926 
1 1 1 -8  26 21 o 181.2773 27.69450 8.170013       2.286659  4.921807       3.104663  12.02122       3.380576  138.0750 43.09923 218.0070 34.08063 -79.93204      54.94573 
1 1 1 -8  26 22 o 157.6076 47.11650 6.704340       3.762858  7.550536       5.599881  6.007730       5.080869  166.4987 58.12524 152.8155 55.16484 13.68327       80.13553 
1 1 1 -8  26 23 o 185.2438 46.45026 9.450145       4.040242  12.74673       6.027066  6.759810       5.444736  207.5882 58.95975 157.9574 57.09293 49.63087       82.07225 
1 1 1 -8  28 1  o 472.3920 11.30414 52.59626       2.511941  55.66499       3.391068  48.86503       3.739241  485.6093 14.84500 454.6656 17.48325 30.94370       22.93552 
1 1 1 -8  28 2  o 214.3143 23.95978 11.03752       2.374144  16.63793       4.857951  9.280198       2.721254  259.4220 41.18482 194.8649 30.70324 64.55710       51.37001 
1 1 1 -8  28 3  o 500.7262 11.71394 59.10757       2.759134  56.15953       3.569150  63.48580       4.349585  487.6497 15.55921 518.1511 17.84523 -30.50140      23.67575 
1 1 1 -8  28 4  o 649.2249 11.61829 99.36540       3.548189  98.92276       4.829044  99.88476       5.230794  647.1306 15.86353 650.0419 17.10634 -2.911316      23.32977 
1 1 1 -8  28 5  o 172.4777 28.19922 7.271045       2.208830  7.138063       2.436869  7.883473       5.229549  170.1206 31.61507 178.2634 55.98426 -8.142822      64.29424 
1 1 1 -8  28 6  o 155.5826 30.00893 5.973673       2.116655  5.384991       2.309143  9.069561       5.295450  146.9280 34.07205 189.0937 55.74155 -42.16570      65.33012 
1 1 1 -8  28 7  o 690.1683 10.79953 112.2776       3.506138  110.5308       3.742855  124.7919       10.01794  684.6609 11.62139 722.5757 29.47309 -37.91473      31.68153 
1 1 1 -8  28 8  o 239.1840 13.68620 13.54808       1.533477  13.50271       1.588117  14.17360       5.896838  238.7178 14.20677 234.5141 54.49250 4.203690       56.31399 
1 1 1 -8  28 9  o 672.7413 11.25033 106.7199       3.560268  105.6178       3.802102  114.5660       10.14470  669.1281 12.07940 691.1542 31.20289 -22.02612      33.45941 
1 1 1 -8  28 10 o 378.7494 15.27154 33.90696       2.720847  35.86322       2.964674  23.46017       6.851016  389.4040 16.18480 304.6991 49.49724 84.70486       52.07614 
1 1 1 -8  28 11 f 612.8385 14.61887 88.75854       4.214337  90.58853       4.745288  81.92628       9.168949  618.7640 16.30303 581.9458 33.63749 36.81818       37.38007 
1 1 1 -8  28 12 o 345.8875 17.04254 28.33429       2.772928  28.05565       3.013234  29.87515       7.085889  343.4415 18.72203 345.8452 44.59439 -2.403717      48.36501 
1 1 1 -8  28 13 o 129.8065 29.02804 4.202091       1.728050  4.161619       1.813455  4.601665       5.698046  128.9954 30.38606 151.6483 57.70916 -22.65289      65.22009 
1 1 1 -8  28 14 o 175.3957 25.31474 7.506403       2.028172  8.022201       2.168592  3.906065       5.729410  181.2122 26.20092 146.5024 57.30342 34.70981       63.00929 
1 1 1 -8  28 15 o 306.2256 15.48793 22.26999       2.223774  21.30725       2.355824  30.14269       6.736748  299.2595 16.80298 346.7343 42.17163 -47.47482      45.39589 
1 1 1 -8  28 16 o 121.3560 47.01530 2.667313       3.828584  2.956897       5.072338  2.283888       5.836624  133.9698 53.44024 135.7953 56.13783 -1.825531      77.50687 
1 1 1 -8  28 17 o 231.9622 38.97757 13.65036       4.102216  18.84364       5.833599  8.570155       5.769746  269.0068 47.85409 180.0605 59.02382 88.94626       75.98569 
1 1 1 -8  28 18 o 216.5478 40.39461 12.05922       3.963418  16.77170       5.559235  7.187872       5.652160  252.0384 48.65197 167.3202 58.39684 84.71817       76.00793 
1 1 1 -8  28 19 o 206.5209 40.08174 11.04881       3.753418  13.65042       5.400415  8.617718       5.220428  223.8272 52.24312 177.7335 55.95453 46.09372       76.55229 
1 1 1 -8  28 20 o 129.3596 47.65435 3.854465       3.819286  5.906659       5.547134  2.004756       5.266368  154.3601 57.32157 126.1096 52.82537 28.25056       77.95051 
1 1 1 -8  30 1  o 757.4189 13.19628 135.3643       4.701723  174.8514       8.481597  117.8470       5.649156  858.7297 20.99674 705.9661 17.01102 152.7637       27.02291 
1 1 1 -8  30 2  o 481.5242 14.98651 54.76376       3.394595  66.61713       6.716902  50.69780       3.933955  527.9107 27.14006 462.8658 18.06779 65.04486       32.60410 
1 1 1 -8  30 3  o 280.9480 14.56821 18.68916       1.918705  21.58289       2.572206  15.05927       2.880869  301.4337 18.22601 250.3975 24.78361 51.03625       30.76385 
1 1 1 -8  30 4  f 253.2671 14.68898 15.20037       1.742491  16.42863       2.222302  13.23998       2.807553  262.8451 18.08358 234.3655 25.89902 28.47957       31.58758 
1 1 1 -8  30 5  o 183.0467 26.27516 8.145026       2.197564  9.601223       2.432041  1.666766       5.129677  198.9416 26.65867 128.2332 52.78062 70.70842       59.13103 
1 1 1 -8  30 6  o 353.0002 12.31624 29.40012       2.045137  28.70058       2.154166  35.79073       6.510941  348.7007 13.13279 383.2362 36.56010 -34.53555      38.84728 
1 1 1 -8  30 7  o 435.9922 10.64470 44.81809       2.183139  45.70588       2.302140  36.89061       6.879287  440.2408 11.11660 388.3211 38.15286 51.91971       39.73940 
1 1 1 -8  30 8  o 318.2514 13.41811 23.91851       2.008774  24.54194       2.139285  19.27170       5.840530  322.3035 14.11024 276.3407 46.58707 45.96283       48.67704 
1 1 1 -8  30 9  o 448.7031 21.29989 47.86205       4.495788  56.74792       6.121318  37.45541       6.624455  486.3614 26.85982 391.4513 36.39186 94.91003       45.23071 
1 1 1 -8  30 10 o 258.0569 42.73616 16.74792       5.006213  16.74792       5.006213  0.000000       0.000000  258.0569 42.73616 ?        ?        0.000000       42.73616 
1 1 1 -8  30 11 o 268.4775 31.47601 17.61723       3.899746  24.45303       5.492107  10.66587       5.538332  314.4808 37.88850 201.3177 56.28892 113.1631       67.85264 
1 1 1 -8  30 12 o 166.1116 47.12967 7.101401       3.853188  5.151606       5.511488  8.965518       5.389035  153.8332 57.13488 185.3193 56.60897 -31.48611      80.42991 
1 1 1 -8  30 13 o 227.9827 49.93679 13.59394       5.207201  0.000000       0.000000  13.59394       5.207201  ?        ?        227.9827 49.93679 0.000000       49.93679 
1 1 1 -8  30 14 o 125.7402 44.76266 3.563221       3.333661  2.265161       5.004485  4.598692       4.469725  128.5977 52.43801 142.4475 51.69184 -13.84981      73.63282 
1 1 1 -8  30 15 o 217.7460 35.98493 11.93941       3.557119  15.79964       5.564389  9.271701       4.625723  244.6764 50.03333 186.5731 51.17007 58.10330       71.56612 
1 1 1 -8  30 16 o 217.6895 37.07183 12.02892       3.660169  11.84305       5.080528  12.22949       5.277618  209.6029 51.82092 212.5332 52.97617 -2.930344      74.10723 
1 1 1 -8  30 17 o 105.9224 43.27015 1.446626       3.415336  -1.320452      4.786654  4.316290       4.874577  104.1734 46.81090 140.4131 53.39021 -36.23970      71.00546 
1 1 1 -8  32 2  o 530.9499 19.65375 66.88467       4.908719  66.88467       4.908719  0.000000       0.000000  530.9499 19.65375 ?        ?        0.000000       19.65375 
1 1 1 -8  32 3  f 134.4483 35.01332 4.531692       2.236298  4.482759       2.693327  4.640309       4.012730  134.4153 39.78915 142.0509 49.22523 -7.635666      63.29534 
1 1 1 -8  32 4  o 303.4636 27.74192 22.22652       3.916351  22.22652       3.916351  0.000000       0.000000  303.4636 27.74192 ?        ?        0.000000       27.74192 
1 1 1 -8  32 5  o 371.3661 20.98136 32.88618       3.650264  39.35791       5.127058  26.23365       5.198182  404.6053 27.09468 327.7010 34.22635 76.90430       43.65277 
1 1 1 -8  32 6  o 242.3556 30.00323 14.32748       3.347408  23.73365       4.838078  5.689656       4.636268  311.6217 33.53254 154.5410 52.94613 157.0807       62.67155 
1 1 1 -8  32 7  o 298.9578 36.60231 22.04816       5.039879  0.000000       0.000000  22.04816       5.039879  ?        ?        298.9578 36.60231 0.000000       36.60231 
1 1 1 -8  32 8  o 163.8307 41.92498 6.863681       3.244411  7.107610       4.729477  6.646850       4.459038  167.4785 53.31701 162.4361 51.77639 5.042404       74.32024 
1 1 1 -8  32 9  o 115.1360 44.25895 2.388240       3.372747  5.362664       5.302019  0.3665280      4.371188  154.1926 56.24639 110.6817 47.31396 43.51090       73.50011 
1 1 1 -8  32 10 f 253.9655 30.56166 15.81006       3.577778  18.94174       5.339327  13.25803       4.819929  273.3823 42.93379 226.3129 46.81973 47.06935       63.52478 
1 1 1 -8  32 11 o 163.1222 43.18336 6.877758       3.365611  5.326992       4.866354  8.299644       4.659751  150.8408 54.04157 177.7000 52.26216 -26.85921      75.17861 
1 1 1 -8  32 12 o 189.3301 40.09304 9.202515       3.459558  10.62426       4.966751  7.862664       4.821587  199.4499 52.29606 172.9902 53.66323 26.45961       74.93077 
1 1 1 -7  1  1  o 1131.358 14.05528 301.2860       7.480123  305.6043       9.356616  293.6385       12.45160  1139.195 17.46029 1116.101 23.71659 23.09363       29.45061 
1 1 1 -7  1  2  f 1162.305 17.21992 318.1208       9.415003  318.1208       9.415003  0.000000       0.000000  1162.305 17.21992 ?        ?        0.000000       17.21992 
1 1 1 -7  1  3  o 1140.727 11.63116 306.2233       6.241284  319.3828       9.198797  294.9977       8.496047  1164.637 16.79079 1119.342 16.13558 45.29456       23.28707 
1 1 1 -7  1  4  o 42.31661 16.18048 0.2836169      0.4492853 0.6740819      0.6164297 -0.1588630     0.6562046 56.17235 19.30320 40.92603 17.90899 15.24633       26.33146 
1 1 1 -7  1  5  o 1191.323 13.92598 334.0696       7.804132  329.7506       9.448557  343.3413       13.84378  1183.373 16.97362 1206.771 24.38712 -23.39734      29.71255 
1 1 1 -7  1  6  o 557.1196 9.551866 73.02965       2.503260  72.77052       4.312312  73.16135       3.074252  555.9238 16.49019 557.5688 11.72119 -1.644958      20.23147 
1 1 1 -7  1  7  o 616.8726 9.013737 89.53313       2.615590  90.85185       3.730320  88.25777       3.668461  621.2887 12.76390 612.3557 12.73535 8.933044       18.03070 
1 1 1 -7  1  8  o 614.0475 9.558831 88.72280       2.761061  89.24977       3.923929  88.20602       3.885810  615.7311 13.54755 612.1222 13.49504 3.608887       19.12203 
1 1 1 -7  1  9  o 271.4038 12.12874 17.33949       1.548463  17.50262       2.223222  17.18579       2.157953  271.9966 17.46839 269.5458 17.10789 2.450806       24.45045 
1 1 1 -7  1  10 o 318.1895 14.72318 23.85207       2.203722  25.06025       2.707458  21.48038       3.793361  325.5467 17.74685 300.1569 27.16043 25.38986       32.44441 
1 1 1 -7  1  11 o 423.2144 11.81108 42.18559       2.351362  40.79604       3.289513  43.63734       3.362338  415.8894 16.81452 430.1424 16.61728 -14.25293      23.64026 
1 1 1 -7  1  12 o 189.7128 21.49249 8.613402       1.884178  8.101615       2.652243  9.134864       2.677192  182.0017 32.15504 193.8894 30.34867 -11.88776      44.21525 
1 1 1 -7  1  13 o 667.8350 13.97109 105.0753       4.389032  104.6168       5.491856  105.8859       7.301917  666.0584 17.52821 669.4299 23.18796 -3.371521      29.06750 
1 1 1 -7  1  14 o 699.2948 12.78703 115.1322       4.206292  123.2984       6.277684  108.4791       5.666368  723.2764 18.45125 678.4726 17.75428 44.80383       25.60592 
1 1 1 -7  1  15 o 589.7507 13.40919 81.87926       3.719977  78.52845       5.212883  85.35627       5.310149  577.2802 19.19650 601.8791 18.75548 -24.59894      26.83791 
1 1 1 -7  1  16 o 823.8842 13.58174 159.7946       5.263698  156.5126       7.387292  163.1794       7.502019  815.0085 19.26876 832.1936 19.16393 -17.18512      27.17612 
1 1 1 -7  1  17 o 996.0164 16.77966 233.6684       7.861746  222.4897       9.225524  263.3175       15.02456  971.5861 20.18554 1055.605 30.25737 -84.01886      36.37258 
1 1 1 -7  1  18 o 486.6564 15.76842 55.78369       3.609773  55.03058       5.133517  56.52029       5.076934  482.9958 22.59448 489.5240 22.04744 -6.528259      31.56898 
1 1 1 -7  1  19 o 686.2170 14.82347 110.9154       4.784985  115.5596       6.906480  106.6283       6.635624  699.9283 20.97654 672.3362 20.98099 27.59210       29.66845 
1 1 1 -7  1  20 o 343.9052 23.55313 28.06540       3.787331  32.49109       6.426332  25.71022       4.687982  367.8127 37.67376 328.0251 30.74004 39.78760       48.62368 
1 1 1 -7  1  21 o 159.4613 46.08402 6.231523       3.651564  3.433428       4.402988  12.39596       6.535261  136.3686 50.98417 222.2069 60.77138 -85.83824      79.32557 
1 1 1 -7  1  22 o 356.9481 21.55333 30.23265       3.602025  27.63096       5.084754  32.85341       5.103363  339.2887 32.24662 370.7845 29.50346 -31.49582      43.70697 
1 1 1 -7  1  23 o 255.1818 33.93509 15.82829       3.972493  16.96790       7.118368  15.31285       4.787295  257.2250 59.94021 248.7365 42.43762 8.488480       73.44236 
1 1 1 -7  1  24 o 338.1533 22.86040 27.27678       3.615000  27.04890       5.208526  27.48858       5.021374  334.0485 33.60231 337.2241 32.03931 -3.175659      46.42879 
1 1 1 -7  1  25 o 182.6047 39.02529 8.411331       3.250489  7.374623       4.570586  9.472249       4.623644  170.5819 52.13774 191.4798 50.57851 -20.89786      72.63972 
1 1 1 -7  1  26 o 593.9211 20.07161 83.95956       5.607640  92.98455       9.739275  79.48382       6.858597  617.6204 33.64934 575.8616 25.31908 41.75885       42.11097 
1 1 1 -7  1  27 o 310.7059 28.59585 23.56822       4.132569  29.43520       7.468997  20.97967       4.961161  336.9049 48.52875 289.3132 37.32443 47.59171       61.22216 
1 1 1 -7  1  28 o 623.5395 18.25388 92.82261       5.354123  111.1512       8.015375  78.05518       7.194683  677.8402 25.13780 566.8344 26.98275 111.0059       36.87787 
1 1 1 -7  1  29 o 126.7934 46.82243 3.707202       3.690954  1.118312       6.734941  4.818511       4.412598  131.9493 57.56678 140.4046 51.29774 -8.455292      77.10637 
1 1 1 -7  1  30 o 143.4444 43.68203 5.521544       3.212436  10.33105       4.737392  1.427487       4.370853  191.0234 51.53345 113.2702 47.82042 77.75323       70.30283 
1 1 1 -7  1  31 o 135.2522 43.46028 4.903916       3.136862  5.526573       4.541399  4.335793       4.337974  144.0786 52.13205 133.2996 50.44256 10.77901       72.54104 
1 1 1 -7  1  32 o 243.9385 37.02760 15.75679       4.115396  21.66469       7.476205  13.18836       4.929458  262.8385 61.55058 213.1615 50.02132 49.67705       79.31334 
1 1 1 -7  1  33 o 184.2137 40.37497 9.459621       3.402109  14.89744       5.002371  4.779910       4.640589  225.0920 48.66214 133.6118 51.76201 91.48026       71.04442 
1 1 1 -7  1  34 o 233.3738 36.25248 14.90682       3.850636  10.02675       6.899686  17.11434       4.640543  165.3728 63.36637 244.9663 41.76923 -79.59348      75.89443 
1 1 1 -7  1  35 o 379.9250 32.53188 39.08798       5.757945  38.22830       7.939837  40.04162       8.362522  347.1549 50.06797 351.7159 52.12241 -4.560913      72.27412 
1 1 1 -7  1  36 o 102.3660 43.82726 2.323033       3.761193  7.116529       5.489129  -1.919441      5.164008  135.6409 55.06833 91.64407 43.62406 43.99680       70.25368 
1 1 1 -7  3  1  o 963.0244 10.71226 218.2272       4.852746  233.8879       7.448367  206.6767       6.396698  996.7126 15.88627 937.0166 14.51240 59.69598       21.51704 
1 1 1 -7  3  2  o 1221.916 12.53272 351.3900       7.203710  351.2907       8.406134  351.6647       13.97733  1221.607 14.62835 1221.354 24.32839 0.2530518      28.38766 
1 1 1 -7  3  3  o 956.0504 14.52942 215.1602       6.534290  215.1602       6.534290  0.000000       0.000000  956.0504 14.52942 ?        ?        0.000000       14.52942 
1 1 1 -7  3  4  o 1069.568 11.11638 269.1957       5.592953  277.1196       8.074876  261.8888       7.754131  1084.924 15.82221 1054.701 15.62912 30.22314       22.23987 
1 1 1 -7  3  5  o 403.4041 8.338745 38.28613       1.582378  37.98752       1.974088  38.82283       2.646581  401.7959 10.44460 406.1217 13.85350 -4.325836      17.34962 
1 1 1 -7  3  6  o 1293.583 15.18530 393.9565       9.240317  386.4447       15.72890  397.9153       11.41847  1279.977 26.12323 1299.744 18.67587 -19.76611      32.11248 
1 1 1 -7  3  7  o 1041.126 11.45308 255.0970       5.609122  260.4164       8.073038  250.1325       7.799049  1051.602 16.31986 1030.646 16.08654 20.95544       22.91538 
1 1 1 -7  3  8  f 1226.483 13.04904 354.1158       7.528515  345.6777       10.39301  363.4320       10.92041  1211.273 18.24023 1241.936 18.69264 -30.66284      26.11744 
1 1 1 -7  3  9  o 902.6403 12.97522 191.8383       5.509330  201.6647       10.01543  187.5747       6.597137  924.4026 23.03240 892.3298 15.71668 32.07275       27.88378 
1 1 1 -7  3  10 o 894.0884 11.50515 188.2305       4.838848  185.0995       6.810281  191.4227       6.876528  886.1136 16.33828 901.1363 16.22219 -15.02264      23.02387 
1 1 1 -7  3  11 o 72.73636 31.47549 -0.2525569     1.979968  0.2854344      2.342147  -1.599881      3.706487  84.04418 35.21785 92.26552 41.34462 -8.221336      54.31091 
1 1 1 -7  3  12 o 104.5723 32.87040 2.568885       1.802332  1.718368       2.569695  3.392395       2.528568  101.5609 38.72915 120.8899 39.03783 -19.32900      54.98999 
1 1 1 -7  3  13 o 379.4815 14.14593 33.92144       2.525174  34.05406       3.631803  33.79732       3.513409  379.3678 20.42657 377.9973 19.82844 1.370453       28.46773 
1 1 1 -7  3  14 o 976.1063 15.58470 224.4012       7.155910  232.0749       12.62085  220.7655       8.687267  991.2960 27.06550 967.8377 19.08145 23.45825       33.11560 
1 1 1 -7  3  15 o 162.5129 35.38697 6.490850       2.628526  8.579073       4.700966  5.541021       3.170455  186.9407 51.71414 150.8783 42.73109 36.06235       67.08427 
1 1 1 -7  3  16 o 435.9623 17.26687 44.76744       3.541050  44.26279       6.388683  44.99123       4.254344  431.6194 31.68746 436.9134 20.69988 -5.293945      37.84944 
1 1 1 -7  3  17 o 286.1232 20.40134 19.39425       2.727888  20.09507       3.904522  18.72600       3.812746  290.2356 28.98650 280.0180 29.38359 10.21762       41.27484 
1 1 1 -7  3  18 o 1283.063 18.59279 387.9877       11.22179  390.0083       13.64729  383.7693       19.71869  1285.783 22.56364 1273.313 32.92103 12.46997       39.91130 
1 1 1 -7  3  19 o 831.2489 16.35477 162.8111       6.395063  168.1250       8.163425  154.3698       10.28901  844.2648 20.55533 808.1490 27.06529 36.11572       33.98605 
1 1 1 -7  3  20 o 1006.841 15.32395 238.8709       7.257731  236.3546       10.18070  241.4713       10.34934  1000.608 21.62941 1011.359 21.75393 -10.75153      30.67678 
1 1 1 -7  3  21 o 212.8272 35.34731 11.05651       3.414627  21.22176       6.354541  6.929722       4.048847  293.7407 47.61896 167.9107 48.52634 125.8300       67.98802 
1 1 1 -7  3  22 o 765.7799 18.17797 138.4594       6.548151  147.6814       11.98590  134.5360       7.817980  787.5912 32.35196 754.1707 22.03716 33.42059       39.14442 
1 1 1 -7  3  23 o 220.9967 30.20722 11.85059       3.058035  8.765525       4.457783  14.59295       4.202893  186.3461 49.87105 243.7869 37.87909 -57.44075      62.62545 
1 1 1 -7  3  24 o 490.2127 21.34239 57.01739       4.921494  56.14267       5.878779  59.06659       8.997998  484.7863 25.87261 492.4818 39.16416 -7.695526      46.93850 
1 1 1 -7  3  25 o 377.3573 23.78877 34.08396       4.201123  30.22959       5.128757  41.94412       7.324049  353.0508 31.20325 413.4657 38.08484 -60.41489      49.23513 
1 1 1 -7  3  26 o 185.3911 35.78587 8.653630       3.007793  5.220414       4.243106  12.12122       4.264297  147.4441 50.64556 217.5987 43.18420 -70.15462      66.55710 
1 1 1 -7  3  27 o 160.3916 45.16060 6.716002       3.551974  0.4916766      5.990994  10.08991       4.410819  126.2518 54.69217 195.1102 48.31311 -68.85841      72.97527 
1 1 1 -7  3  28 o 211.4570 39.82406 11.57542       3.815957  11.81332       6.750117  11.46369       4.626111  203.0996 63.57557 206.3273 48.48491 -3.227737      79.95399 
1 1 1 -7  3  29 o 303.9387 25.18231 22.61079       3.567970  22.85049       5.164720  22.39195       4.934867  298.6686 37.59399 296.5282 36.12519 2.140381       52.13768 
1 1 1 -7  3  30 o 280.4785 32.53204 19.91354       4.212494  16.34017       4.956020  29.21522       7.996038  246.5133 44.37058 321.7412 54.79607 -75.22792      70.50785 
1 1 1 -7  3  31 o 75.24527 35.08044 -2.239334      3.041722  -3.220827      4.276999  -1.234887      4.326721  87.30462 40.99146 96.74715 43.89033 -9.442535      60.05548 
1 1 1 -7  3  32 o 94.32406 40.10609 0.8011058      3.110469  -1.466485      4.402470  3.061290       4.395275  95.37801 43.65269 121.8982 49.35091 -26.52020      65.88680 
1 1 1 -7  3  33 o 85.75803 39.88220 -2.058436      3.892543  3.272890       6.735234  -4.732243      4.769799  132.5256 57.69978 85.36039 40.97963 47.16523       70.77142 
1 1 1 -7  3  34 o 177.0590 46.29906 9.506984       3.899850  3.139120       6.356724  13.35028       4.938427  126.1764 55.46352 205.8691 51.20691 -79.69274      75.48740 
1 1 1 -7  3  35 o 94.66074 42.29302 0.5121564      3.848112  1.848098       5.314788  -0.9598693     5.578918  111.1304 49.67374 100.9854 47.22327 10.14497       68.53844 
1 1 1 -7  3  36 o 118.7443 50.60146 4.402497       4.971429  4.402497       4.971429  0.000000       0.000000  118.7443 50.60146 ?        ?        0.000000       50.60146 
1 1 1 -7  5  1  o 1572.038 15.34813 581.7752       11.34979  584.4548       16.18250  579.1810       15.92270  1574.929 21.84316 1567.840 21.58966 7.089111       30.71216 
1 1 1 -7  5  2  o 1189.169 12.25185 332.7957       6.853537  324.2110       9.386312  342.5992       10.03045  1173.417 17.00487 1206.180 17.67824 -32.76306      24.52928 
1 1 1 -7  5  3  o 410.6644 8.408784 39.67654       1.624387  38.67836       2.153242  40.99490       2.474598  405.4207 11.29062 417.3592 12.60449 -11.93854      16.92192 
1 1 1 -7  5  4  o 1357.202 15.72322 433.6728       10.03819  427.4944       11.97487  448.2759       18.41013  1347.201 18.89596 1378.309 28.39493 -31.10815      34.10762 
1 1 1 -7  5  5  o 1279.289 12.94327 385.1996       7.789003  397.1764       11.27813  374.2775       10.77005  1298.547 18.46334 1260.587 18.16249 37.95972       25.89925 
1 1 1 -7  5  6  o 643.0436 8.771441 97.29147       2.653265  102.1857       3.843489  92.83574       3.667278  658.9021 12.40039 628.0340 12.41342 30.86810       17.54602 
1 1 1 -7  5  7  o 1062.474 13.56621 265.7605       6.780253  270.3329       12.07340  263.6541       8.194469  1070.490 23.97604 1058.016 16.46491 12.47449       29.08511 
1 1 1 -7  5  8  o 956.7806 13.29770 215.5516       5.984920  214.8731       7.161746  217.1225       10.89716  955.0396 15.94146 959.0254 24.15539 -3.985779      28.94155 
1 1 1 -7  5  9  o 453.0270 11.62374 48.32488       2.477075  48.95958       4.784362  48.09244       2.895350  455.3109 22.33813 451.8423 13.62213 3.468536       26.16399 
1 1 1 -7  5  10 o 296.7120 12.43819 20.73851       1.736047  18.44262       2.526423  22.79241       2.389572  278.8351 19.38191 310.4501 16.42125 -31.61502      25.40307 
1 1 1 -7  5  11 o 659.3724 13.57601 102.4410       4.210874  104.1845       5.103288  98.72177       7.453620  664.6967 16.32139 645.9930 24.52845 18.70367       29.46240 
1 1 1 -7  5  12 o 816.5760 13.31269 157.0507       5.113657  160.5432       6.664573  152.0511       7.973882  825.2234 17.16846 802.6232 21.11975 22.60016       27.21764 
1 1 1 -7  5  13 o 529.4920 12.19035 65.99871       3.036301  70.64297       4.561851  62.30492       4.068354  547.5413 17.71148 514.2599 16.81771 33.28131       24.42400 
1 1 1 -7  5  14 o 921.8154 13.15333 200.0300       5.703597  198.9282       8.085855  201.1211       8.046497  918.8753 18.70682 923.9423 18.51368 -5.066956      26.31922 
1 1 1 -7  5  15 o 751.5452 18.12241 133.0499       6.406787  0.000000       0.000000  133.0499       6.406787  ?        ?        751.5452 18.12241 0.000000       18.12241 
1 1 1 -7  5  16 o 228.1254 22.41810 12.38751       2.374629  13.11748       3.539286  11.78990       3.202394  233.2377 33.19548 221.1371 31.69139 12.10052       45.89427 
1 1 1 -7  5  17 o 366.8795 16.94270 31.70732       2.923987  32.71608       4.297755  30.83800       3.989691  371.5302 24.73244 360.7844 23.63905 10.74576       34.21255 
1 1 1 -7  5  18 o 1009.277 16.72564 239.9952       7.940764  252.2063       10.32264  222.2949       12.42805  1034.096 21.22074 969.9774 27.23780 64.11841       34.52850 
1 1 1 -7  5  19 o 120.6924 40.19083 3.279570       2.671336  2.301634       3.921993  4.125869       3.648495  122.6437 47.56555 137.1242 46.96857 -14.48055      66.84705 
1 1 1 -7  5  20 o 661.3713 15.29433 103.0798       4.758226  103.6585       6.804247  102.5260       6.656480  662.5584 21.83165 658.9716 21.47379 3.586853       30.62262 
1 1 1 -7  5  21 o 954.5526 15.44465 214.8221       6.935012  212.7766       9.821226  216.8562       9.794007  948.8297 22.00433 957.9391 21.73468 -9.109436      30.92874 
1 1 1 -7  5  22 o 243.7499 27.78849 14.28691       3.129289  14.73346       4.483547  13.86278       4.369617  244.7691 40.34597 237.1969 40.62315 7.572159       57.25415 
1 1 1 -7  5  23 o 247.6339 27.43261 14.77021       3.141869  17.74915       4.692100  12.34886       4.230252  269.0884 38.13561 222.6189 41.93409 46.46954       56.68150 
1 1 1 -7  5  24 o 349.2577 21.79241 29.07988       3.562438  31.67706       5.072731  26.55253       5.004066  362.4640 30.02167 330.9066 32.56964 31.55740       44.29540 
1 1 1 -7  5  25 o 409.6823 20.04250 39.88591       3.862500  43.08445       5.501966  36.77774       5.423676  422.9312 27.81041 389.9247 29.79501 33.00653       40.75735 
1 1 1 -7  5  26 o 160.0029 40.14719 6.568014       3.016755  7.440174       4.180244  5.620113       4.357976  169.1565 49.42930 151.4124 51.33511 17.74417       71.26395 
1 1 1 -7  5  27 o 617.3977 17.55345 90.74181       5.097966  92.81492       7.436360  88.90359       7.002417  620.3046 25.48508 607.6703 24.49687 12.63428       35.34949 
1 1 1 -7  5  28 o 111.0483 42.01405 2.506445       3.009036  0.7974811      4.188324  4.329476       4.325845  109.1586 46.47927 136.8494 50.65911 -27.69083      68.75077 
1 1 1 -7  5  29 o 482.6787 19.85044 55.98927       4.507103  57.51969       6.488608  54.56240       6.265270  482.9317 28.69143 470.5045 28.44152 12.42728       40.39948 
1 1 1 -7  5  30 o 393.5251 24.73813 37.93906       4.556097  35.05104       5.757688  42.77646       7.451669  372.3045 33.22525 405.8453 39.53421 -33.54080      51.64176 
1 1 1 -7  5  31 o 125.8987 44.07571 4.060458       3.221023  8.830585       4.735707  -0.4593819E-01 4.393901  174.1131 53.04033 103.5372 45.78515 70.57592       70.06823 
1 1 1 -7  5  32 o 207.0849 35.91601 11.37608       3.371861  11.52351       4.673554  11.21603       4.869545  198.2747 50.09109 193.8510 52.22672 4.423721       72.36538 
1 1 1 -7  5  33 o 135.3768 50.97336 5.144506       4.416350  0.000000       0.000000  5.144506       4.416350  ?        ?        135.3768 50.97336 0.000000       50.97336 
1 1 1 -7  5  34 o 285.1070 31.51481 21.52565       4.155940  27.30975       7.221722  18.66160       5.081745  292.2941 54.52902 252.2656 44.44771 40.02850       70.34923 
1 1 1 -7  5  35 o 153.7880 49.28041 7.916460       4.035400  5.127824       5.201037  12.13437       6.396502  128.1623 52.98864 172.4648 61.94007 -44.30246      81.51299 
1 1 1 -7  5  36 o 82.17898 40.54604 -6.507135      5.647999  -6.507135      5.647999  0.000000       0.000000  82.17898 40.54604 ?        ?        0.000000       40.54604 
1 1 1 -7  7  1  o 842.6119 14.23682 167.1321       5.642996  157.2236       8.111081  176.4269       7.855842  816.8412 21.10920 865.4204 19.29729 -48.57922      28.60042 
1 1 1 -7  7  2  o 956.8026 20.27067 215.6956       9.123465  215.6956       9.123465  0.000000       0.000000  956.8026 20.27067 ?        ?        0.000000       20.27067 
1 1 1 -7  7  3  o 1337.197 13.65676 420.9103       8.590378  424.8760       10.05907  410.2260       16.51093  1343.282 15.91921 1318.590 26.61905 24.69238       31.01605 
1 1 1 -7  7  4  o 167.1958 16.23986 6.645104       1.261140  7.058093       1.339421  3.418550       3.743845  172.3066 16.73631 131.2240 47.35613 41.08258       50.22656 
1 1 1 -7  7  5  o 373.7616 9.002804 32.87101       1.582857  33.93999       1.964241  30.89124       2.673122  379.7507 10.99580 362.1746 15.69031 17.57617       19.15968 
1 1 1 -7  7  6  o 168.1916 11.68787 6.691104       0.9189749 7.235577       1.178379  5.845952       1.468130  174.6861 14.47056 156.1290 20.48423 18.55717       25.07990 
1 1 1 -7  7  7  o 330.8897 10.99570 25.77502       1.711495  20.49346       3.386443  27.58685       1.983451  293.4773 24.76137 342.2825 12.31877 -48.80521      27.65642 
1 1 1 -7  7  8  o 987.2106 12.93174 229.5704       6.005320  238.7931       10.54698  225.1460       7.305127  1005.346 22.30198 977.2747 15.89066 28.07141       27.38414 
1 1 1 -7  7  9  o 1257.157 13.48922 372.3773       7.977111  371.6615       11.28766  373.0915       11.27503  1254.834 19.12265 1257.260 19.06440 -2.425293      27.00236 
1 1 1 -7  7  10 o 928.5363 11.73615 203.0310       5.126180  210.0469       7.581827  197.1231       6.957385  943.8060 17.07740 914.4302 16.17432 29.37585       23.52119 
1 1 1 -7  7  11 o 927.6804 13.46889 202.6733       5.877594  203.7970       7.636616  201.0405       9.205973  929.8405 17.45915 923.0565 21.20177 6.783936       27.46520 
1 1 1 -7  7  12 o 511.5378 14.88525 61.61955       3.581814  61.05093       4.187848  63.16885       6.912648  509.0553 17.48866 516.3141 28.57289 -7.258759      33.50020 
1 1 1 -7  7  13 o 850.9640 12.27941 170.4387       4.915390  172.0503       7.177969  169.0156       6.745037  854.6420 17.85451 847.1351 16.92631 7.506897       24.60251 
1 1 1 -7  7  14 o 1252.893 14.73190 369.5630       8.682444  379.6684       12.68869  360.6654       11.90628  1269.242 21.25216 1237.161 20.45881 32.08008       29.49945 
1 1 1 -7  7  15 o 489.1841 14.04357 56.33518       3.231611  57.61198       4.969950  55.39993       4.253589  494.4004 21.36996 484.9380 18.64662 9.462433       28.36145 
1 1 1 -7  7  16 o 315.5181 18.21023 23.53206       2.691282  19.06161       3.865999  27.73558       3.748800  282.5376 29.52423 342.1243 23.43493 -59.58670      37.69451 
1 1 1 -7  7  17 o 697.8333 13.88732 114.6625       4.558682  122.1501       6.749991  108.3833       6.181372  719.8371 19.93424 678.1030 19.37849 41.73407       27.80107 
1 1 1 -7  7  18 o 649.4686 14.42214 99.34487       4.406129  105.5096       6.493372  94.08411       5.998431  668.8409 20.63850 631.6273 20.18866 37.21356       28.87092 
1 1 1 -7  7  19 o 706.6819 17.43846 117.7306       5.796975  119.5842       6.943437  113.4661       10.53184  711.8838 20.73462 691.8190 32.36253 20.06482       38.43511 
1 1 1 -7  7  20 o 465.0935 16.84272 51.00737       3.684866  55.91471       5.461071  46.90563       4.992739  486.3252 23.87161 444.7848 23.95097 41.54041       33.81572 
1 1 1 -7  7  21 o 555.7519 18.56335 72.92304       4.852958  79.22116       8.851663  70.21635       5.802808  576.0215 32.80331 544.8328 22.64152 31.18866       39.85844 
1 1 1 -7  7  22 o 724.9628 17.82303 124.1708       6.078083  136.7420       11.47586  119.2694       7.165673  756.9398 32.22958 709.7960 21.46121 47.14380       38.72118 
1 1 1 -7  7  23 o 342.7098 21.37275 27.95638       3.428359  31.29951       4.999177  24.98814       4.710551  360.7772 29.72159 321.6260 31.54103 39.15115       43.33831 
1 1 1 -7  7  24 o 425.6594 21.62265 43.17236       4.315307  38.69651       5.386908  51.18906       7.209404  400.9167 28.75479 459.5682 33.58130 -58.65149      44.21020 
1 1 1 -7  7  25 o 235.7171 37.31003 13.86677       3.999268  12.69901       4.702841  16.91736       7.601057  222.1034 46.50399 249.5233 64.34259 -27.41989      79.38885 
1 1 1 -7  7  26 o 195.6311 34.50421 9.611819       3.059208  7.852001       4.306585  11.40436       4.346438  172.9467 50.06593 209.3795 45.43501 -36.43285      67.60871 
1 1 1 -7  7  27 o 397.7509 23.00579 38.15069       4.286070  40.60643       7.634068  37.02028       5.179431  399.9292 41.16732 389.2559 28.48419 10.67328       50.06094 
1 1 1 -7  7  28 o 96.53661 41.75028 0.1325343      3.479550  6.548751       6.281468  -2.707834      4.179352  161.8283 60.81907 89.92841 41.64995 71.89986       73.71348 
1 1 1 -7  7  29 o 343.3396 23.25565 28.68722       3.733816  24.25977       5.140493  33.63181       5.432419  308.4177 36.11588 366.7076 31.80734 -58.28983      48.12550 
1 1 1 -7  7  30 o 178.9496 39.70889 8.542898       3.255279  8.060225       4.474291  9.085730       4.744940  168.8869 51.57949 178.2887 52.82058 -9.401810      73.82722 
1 1 1 -7  7  31 o 243.3617 36.76191 15.52814       4.077250  17.38307       4.701262  9.898931       8.189829  255.0146 40.54785 178.1078 68.82985 76.90681       79.88539 
1 1 1 -7  7  32 o 185.7470 44.39457 9.770464       3.826221  9.447087       6.343241  9.955418       4.797214  171.7393 61.68143 181.3426 52.94041 -9.603226      81.28522 
1 1 1 -7  7  33 o 113.5890 44.89822 2.983404       3.550304  4.435196       6.072536  2.229446       4.376143  134.5645 56.56400 113.1709 47.81778 21.39361       74.06771 
1 1 1 -7  7  34 o 169.6569 44.34237 8.697131       3.578295  14.86029       6.621748  6.155065       4.252698  198.8130 63.06614 139.6937 50.46279 59.11935       80.77023 
1 1 1 -7  7  35 o 155.2297 48.63207 8.094229       3.948875  6.807373       5.475745  9.488705       5.700116  137.7759 55.32714 155.8054 58.05745 -18.02945      80.19826 
1 1 1 -7  9  1  o 538.6309 8.505807 68.26688       2.155143  67.40003       2.978865  69.21894       3.121824  535.0917 11.83459 542.2480 12.23886 -7.156311      17.02490 
1 1 1 -7  9  2  o 920.1111 10.58409 199.2634       4.581030  199.1371       6.434908  199.3932       6.523102  919.5020 14.87717 920.0760 15.07166 -0.5740356     21.17747 
1 1 1 -7  9  3  o 623.9531 12.72647 91.66871       3.735331  91.66871       3.735331  0.000000       0.000000  623.9531 12.72647 ?        ?        0.000000       12.72647 
1 1 1 -7  9  4  o 250.3809 11.86468 14.76049       1.397419  13.71517       1.556887  19.09334       3.169707  240.9146 13.79540 283.3034 24.01062 -42.38885      27.69156 
1 1 1 -7  9  5  o 387.4020 9.996365 35.32865       1.821685  33.31173       2.129095  40.83970       3.519395  376.1104 12.03401 416.1345 17.97898 -40.02405      21.63472 
1 1 1 -7  9  6  o 524.4186 9.418679 64.73537       2.323472  65.82422       2.937638  62.91617       3.797118  528.6900 11.81212 516.6371 15.62425 12.05292       19.58682 
1 1 1 -7  9  7  o 140.9181 16.99907 4.750262       1.104082  3.067777       1.532211  6.567386       1.592338  111.7127 28.92831 165.4737 20.92443 -53.76105      35.70265 
1 1 1 -7  9  8  o 693.4448 14.14392 113.2857       4.613718  0.000000       0.000000  113.2857       4.613718  ?        ?        693.4448 14.14392 0.000000       14.14392 
1 1 1 -7  9  9  o 414.0725 9.778206 40.35336       1.904605  41.32645       2.863540  39.58135       2.550579  418.8676 14.53306 409.9799 13.22534 8.887665       19.64993 
1 1 1 -7  9  10 o 1381.349 14.69538 449.3263       9.548904  475.5706       14.38780  428.6663       12.76564  1420.150 21.53727 1348.518 20.12412 71.63269       29.47599 
1 1 1 -7  9  11 o 1260.542 14.06515 374.0723       8.340094  363.6094       11.57718  385.3601       12.02490  1242.224 19.81225 1278.817 19.98959 -36.59351      28.14443 
1 1 1 -7  9  12 o 605.7967 11.41184 86.36446       3.252011  90.16599       4.934134  83.44485       4.324086  618.7782 16.95144 595.3314 15.44067 23.44678       22.92958 
1 1 1 -7  9  13 o 840.6390 12.27184 166.3168       4.852757  173.6999       7.289399  160.4402       6.503340  858.7765 18.04439 825.4266 16.74899 33.34991       24.61969 
1 1 1 -7  9  14 o 276.1693 18.83352 18.05029       2.432075  16.65577       4.664875  18.57084       2.850074  262.4266 38.97253 279.8519 21.82253 -17.42526      44.66632 
1 1 1 -7  9  15 f 659.5750 12.91281 102.4057       4.006400  108.2352       6.154666  98.11908       5.277705  677.7452 19.30495 645.4079 17.38367 32.33734       25.97832 
1 1 1 -7  9  16 o 744.1453 15.32313 130.4112       5.363822  132.2533       10.15060  129.6976       6.317957  748.1573 28.84227 741.9173 18.10306 6.240051       34.05286 
1 1 1 -7  9  17 o 728.9167 15.34494 125.1504       5.261533  122.0440       6.808491  129.7563       8.290294  719.4342 20.11826 741.4481 23.76949 -22.01385      31.14054 
1 1 1 -7  9  18 o 876.6725 14.22037 181.0280       5.864319  168.7307       8.071801  194.7749       8.534312  845.7363 20.28926 908.7089 19.96523 -62.97266      28.46515 
1 1 1 -7  9  19 o 609.5475 14.81181 87.55132       4.247026  82.50613       6.019695  92.55153       5.992801  591.1001 21.64931 626.1961 20.34465 -35.09601      29.70854 
1 1 1 -7  9  20 o 463.6550 16.38138 50.70272       3.572850  46.52279       5.211279  54.41013       4.907902  442.6051 25.13352 479.8023 21.74524 -37.19714      33.23476 
1 1 1 -7  9  21 o 512.2535 16.15160 61.92611       3.891973  67.99083       5.934000  57.34772       5.155833  535.7377 23.54649 492.2080 22.26798 43.52969       32.40833 
1 1 1 -7  9  22 o 161.9190 37.90100 6.555853       2.835775  3.346570       4.209982  9.221311       3.836738  132.7984 49.81393 191.4290 43.58442 -58.63057      66.18934 
1 1 1 -7  9  23 o 427.9958 20.65634 43.46056       4.158744  43.48382       5.536572  43.43044       6.299770  425.7572 27.79711 424.2254 31.80023 1.531769       42.23664 
1 1 1 -7  9  24 o 496.5032 17.52923 58.43005       4.094061  54.30268       5.884441  62.30237       5.699728  475.6380 26.40401 511.0644 23.70878 -35.42636      35.48631 
1 1 1 -7  9  25 o 147.6287 41.20777 5.559376       2.970807  2.096099       4.298435  8.726540       4.110569  121.4366 48.93016 183.0039 47.37863 -61.56726      68.10944 
1 1 1 -7  9  26 o 151.8558 51.14578 5.787351       4.325608  10.11593       6.059715  1.290131       6.176627  192.8320 60.21626 132.0365 56.33744 60.79547       82.46153 
1 1 1 -7  9  27 o 220.2778 32.12484 12.14756       3.230793  16.90639       4.746044  8.037920       4.410454  256.3528 40.71870 172.6925 50.86070 83.66037       65.15231 
1 1 1 -7  9  28 o 264.2227 27.96738 17.24286       3.423252  14.68530       4.820926  19.84392       4.861750  234.8923 45.27225 278.2913 38.14201 -43.39894      59.19788 
1 1 1 -7  9  29 o 173.6196 43.57000 8.137283       3.552722  5.874888       4.657899  11.28419       5.493478  149.7284 52.95317 198.0146 56.30635 -48.28615      77.29453 
1 1 1 -7  9  30 o 280.3675 27.35237 19.54227       3.561434  18.95015       5.023799  20.14049       5.049555  267.3239 41.28041 276.6587 39.95879 -9.334808      57.45239 
1 1 1 -7  9  31 o 181.4125 39.43310 8.902275       3.269049  10.18648       4.500286  7.467607       4.756623  187.5296 50.07354 160.1785 53.63498 27.35104       73.37622 
1 1 1 -7  9  32 o 95.11461 41.93398 0.1307381      3.658667  5.249703       6.243290  -2.546640      4.515203  142.6366 58.41247 91.08765 42.55829 51.54893       72.27188 
1 1 1 -7  9  33 o 96.19817 41.41638 0.9509769      3.393044  -5.151606      5.845354  4.052111       4.166911  93.31909 44.94122 124.3918 48.80836 -31.07270      66.34734 
1 1 1 -7  9  34 o 78.82511 37.32719 -2.588587      3.686214  -1.189952      5.122800  -4.090369      5.308339  98.04768 45.64922 89.59332 43.06901 8.454361       62.75978 
1 1 1 -7  9  35 o 143.9922 57.33416 8.168847       5.828749  8.168847       5.828749  0.000000       0.000000  143.9922 57.33416 ?        ?        0.000000       57.33416 
1 1 1 -7  11 1  o 226.4358 10.60355 12.07063       1.129446  12.09626       1.411111  12.02494       1.884064  226.2248 13.31902 225.1041 17.94175 1.120697       22.34508 
1 1 1 -7  11 2  o 617.5552 9.338262 89.76336       2.712758  91.68323       3.748979  87.65331       3.930278  623.9316 12.77341 610.0045 13.69686 13.92712       18.72869 
1 1 1 -7  11 3  o 437.1702 9.327350 44.98207       1.918131  43.81768       2.577555  46.42716       2.871478  431.3481 12.70313 443.9579 13.74974 -12.60977      18.71964 
1 1 1 -7  11 4  o 551.3997 10.10216 71.56616       2.620294  74.66685       3.041267  62.63377       5.161901  563.1547 11.48041 515.1575 21.30102 47.99719       24.19779 
1 1 1 -7  11 5  o 768.0722 11.78048 138.8878       4.256320  137.5026       4.956749  142.7765       8.305140  764.0956 13.79050 777.7299 22.70120 -13.63428      26.56167 
1 1 1 -7  11 7  o 1428.407 14.89364 480.4573       10.00742  484.6642       13.90824  475.9411       14.41037  1433.874 20.62016 1420.762 21.56177 13.11169       29.83456 
1 1 1 -7  11 8  o 381.1400 13.65616 34.19650       2.448401  28.83472       4.327351  36.72115       2.969397  348.5640 26.59253 394.8961 15.98513 -46.33206      31.02720 
1 1 1 -7  11 9  o 381.9914 10.48232 34.33570       1.883564  34.59474       2.754374  34.10816       2.581542  383.3307 15.27495 380.6457 14.41747 2.685089       21.00447 
1 1 1 -7  11 10 o 2032.240 22.66562 973.3565       21.66766  956.9062       26.34729  1007.729       38.08499  2013.960 27.81094 2063.634 39.23304 -49.67310      48.09033 
1 1 1 -7  11 11 o 712.7822 11.12670 119.5543       3.730719  114.3456       5.373623  124.4010       5.183574  696.8831 16.39223 726.9349 15.15879 -30.05182      22.32698 
1 1 1 -7  11 12 o 684.0868 11.34679 110.1262       3.651349  109.3959       5.446819  110.7223       4.920738  681.5917 16.98828 685.7896 15.25352 -4.197876      22.83137 
1 1 1 -7  11 13 o 653.1575 15.40340 100.4459       4.732645  101.0969       5.472114  98.51367       9.427523  655.1573 17.75580 645.8061 31.03317 9.351196       35.75369 
1 1 1 -7  11 14 o 735.2091 12.49316 127.2307       4.320682  124.8424       6.430532  129.1962       5.833707  727.9271 18.77974 740.6417 16.74431 -12.71454      25.16050 
1 1 1 -7  11 15 o 1224.701 17.15421 353.3406       9.882576  354.9346       16.95536  352.5204       12.16207  1225.564 29.41044 1222.772 21.14427 2.792236       36.22229 
1 1 1 -7  11 16 o 288.2805 19.40033 19.67978       2.615530  18.34148       3.813917  20.86802       3.593731  276.9344 29.74284 296.1174 26.06521 -19.18304      39.54784 
1 1 1 -7  11 17 o 344.6670 17.13540 27.99878       2.778198  23.24881       4.203938  31.68167       3.701733  312.1596 28.95904 365.7790 21.60973 -53.61935      36.13317 
1 1 1 -7  11 18 o 235.4114 23.09319 13.21628       2.524369  12.03349       3.948069  14.03423       3.283178  221.5914 39.31566 241.6476 29.49515 -20.05618      49.14962 
1 1 1 -7  11 19 o 409.3859 16.59829 39.52801       3.196432  37.08921       4.722247  41.59031       4.342470  395.0021 25.55128 418.9065 22.11526 -23.90433      33.79279 
1 1 1 -7  11 20 o 708.6458 18.22176 118.6030       6.074197  117.8763       7.185830  120.4221       11.36876  705.8730 21.64119 710.4211 34.01950 -4.548157      40.31956 
1 1 1 -7  11 21 o 353.3233 19.48432 29.62345       3.225855  25.98579       4.704091  32.85266       4.432140  328.5990 30.79175 371.0039 25.55182 -42.40488      40.01284 
1 1 1 -7  11 22 o 297.4093 22.89941 21.13448       3.179034  21.12979       4.765960  21.13824       4.266979  294.3219 35.11718 295.4915 31.16794 -1.169617      46.95377 
1 1 1 -7  11 23 o 375.5246 22.19314 33.66480       3.902951  33.94769       7.704502  33.56714       4.526773  368.7348 45.37568 373.9897 25.89047 -5.254913      52.24240 
1 1 1 -7  11 24 o 661.5010 15.99388 103.6721       4.976840  100.2836       7.190084  106.7889       6.895768  647.8431 23.59363 669.2491 21.90411 -21.40601      32.19394 
1 1 1 -7  11 25 o 212.4524 30.71247 11.16204       2.980257  14.40637       4.647221  8.895698       3.884127  236.8950 43.29866 184.6727 45.10096 52.22224       62.52095 
1 1 1 -7  11 26 o 147.0298 41.65880 5.605837       3.012671  5.500117       4.426394  5.697076       4.112068  148.8842 51.69420 149.7116 49.86516 -0.8274231     71.82496 
1 1 1 -7  11 27 o 131.5049 42.61829 4.379611       3.011626  7.294401       4.485819  1.987717       4.063581  164.7579 51.86825 116.2184 47.30542 48.53948       70.20055 
1 1 1 -7  11 28 o 126.1346 44.35688 3.862084       3.263988  4.132284       4.333258  3.507729       4.962397  134.3610 50.51096 133.3564 52.96406 1.004608       73.18845 
1 1 1 -7  11 29 o 88.12182 39.48916 -0.8786674     3.381583  -3.992271      6.035521  0.5459404      4.082543  104.3050 48.88422 105.1024 45.33937 -0.7973938     66.67328 
1 1 1 -7  11 30 o 369.2434 35.64273 35.07656       6.113949  35.93936       8.577611  34.18550       8.716931  356.8847 52.67754 344.8059 55.63661 12.07880       76.61825 
1 1 1 -7  11 31 o 226.0062 37.85538 13.62275       3.882222  7.595126       6.621089  16.78073       4.792490  160.4878 61.92478 247.5654 42.69522 -87.07761      75.21676 
1 1 1 -7  11 32 o 251.1015 35.01395 16.75588       4.023267  34.24495       7.336910  9.235613       4.811124  346.8552 46.10981 172.0300 53.64442 174.8252       70.73781 
1 1 1 -7  11 33 o 128.4728 44.35561 4.787893       3.256625  5.894769       5.262791  4.101050       4.145678  139.0696 54.76131 123.6109 48.62570 15.45866       73.23428 
1 1 1 -7  11 34 o 97.94257 42.85655 1.175340       3.757284  3.689061       5.127985  -1.738407      5.520954  120.1898 51.30899 97.95930 46.17341 22.23054       69.02605 
1 1 1 -7  13 1  o 503.9046 12.49126 59.76225       2.960900  59.76225       2.960900  0.000000       0.000000  503.9046 12.49126 ?        ?        0.000000       12.49126 
1 1 1 -7  13 2  o 706.3824 11.25190 117.4226       3.738826  117.2998       4.523289  117.6873       6.642899  705.9252 13.62154 706.7712 19.98064 -0.8460693     24.18207 
1 1 1 -7  13 3  o 1332.870 13.82130 418.1718       8.665750  420.3441       12.25109  415.9966       12.25935  1335.811 19.49667 1328.873 19.61168 6.938232       27.65389 
1 1 1 -7  13 4  o 578.8593 11.66131 78.85313       3.175335  79.77084       3.740632  76.48634       6.007166  582.1597 13.65946 569.6931 22.41607 12.46667       26.24997 
1 1 1 -7  13 5  o 1091.393 12.39307 280.3195       6.362520  277.8789       7.153092  289.5660       13.92304  1086.544 13.99514 1108.075 26.71134 -21.53076      30.15558 
1 1 1 -7  13 6  o 747.3188 11.62595 131.4216       4.086990  126.9255       4.552646  150.0892       9.276561  734.3721 13.17888 797.9365 24.71436 -63.56439      28.00861 
1 1 1 -7  13 7  o 503.8972 9.683429 59.74065       2.295305  60.05377       2.460414  57.63972       6.373171  505.2038 10.35314 493.6022 27.55792 11.60162       29.43853 
1 1 1 -7  13 8  o 583.8030 10.96718 80.19739       3.011832  84.11843       3.774817  73.32843       4.996212  597.8399 13.42276 557.9985 19.03437 39.84137       23.29115 
1 1 1 -7  13 9  o 1676.563 24.12526 662.5371       19.02659  618.3116       25.37042  719.3818       28.76313  1618.065 33.33208 1744.933 35.04193 -126.8679      48.36285 
1 1 1 -7  13 10 o 712.6924 10.90758 119.5212       3.656790  117.0214       5.056233  122.2626       5.294988  705.0443 15.24549 720.6441 15.61978 -15.59979      21.82664 
1 1 1 -7  13 11 o 1080.638 12.89134 274.8540       6.553113  267.6324       9.146978  282.4692       9.392920  1065.976 18.24152 1095.125 18.23339 -29.14966      25.79166 
1 1 1 -7  13 12 o 820.5832 11.76469 158.4739       4.541217  156.0470       6.661284  160.5812       6.207232  813.9721 17.39719 825.8017 15.97912 -11.82959      23.62191 
1 1 1 -7  13 13 o 193.7494 19.45435 8.934398       1.749126  9.224138       3.983270  8.865183       1.946871  193.2686 44.70335 192.6842 21.86660 0.5843658      49.76483 
1 1 1 -7  13 14 o 987.5351 13.39954 229.6027       6.224605  217.6146       8.584659  242.8926       9.038724  960.9261 18.99170 1015.210 18.92700 -54.28424      26.81260 
1 1 1 -7  13 15 f 615.2458 12.52239 89.11755       3.624141  88.54924       5.549240  89.54024       4.785720  612.8710 19.24842 616.4802 16.50285 -3.609192      25.35440 
1 1 1 -7  13 16 o 809.2117 13.28367 154.2111       5.056493  146.7792       7.245207  161.2685       7.060299  788.8907 19.52382 827.0662 18.14736 -38.17554      26.65532 
1 1 1 -7  13 17 o 596.8290 15.55127 83.95152       4.366013  71.49228       8.064663  89.11716       5.192808  548.1634 31.40650 614.7069 17.95828 -66.54352      36.17829 
1 1 1 -7  13 18 f 179.8742 28.21025 7.852340       2.308451  9.468779       3.743896  6.860846       2.932170  195.2760 42.00425 166.3036 38.27548 28.97247       56.82754 
1 1 1 -7  13 19 o 77.89822 34.20632 -0.5869648     2.412351  4.381689       4.852970  -2.217630      2.780166  147.1424 53.79095 73.84087 34.11827 73.30151       63.69869 
1 1 1 -7  13 20 o 594.4098 14.73037 83.38036       4.118783  85.58520       6.368814  81.79530       5.400017  600.8750 22.53228 587.9905 19.52340 12.88446       29.81387 
1 1 1 -7  13 21 o 319.4167 27.34726 24.50438       4.069424  30.09026       4.920284  12.41082       7.239714  353.5286 29.86619 218.7409 65.34583 134.7877       71.84753 
1 1 1 -7  13 22 o 280.1014 25.18950 18.86301       3.283481  28.04400       6.165300  15.22792       3.879426  337.2893 39.61230 249.0893 33.99656 88.20006       52.20058 
1 1 1 -7  13 23 o 177.9068 37.29027 7.990265       3.020936  7.029225       4.222246  8.998218       4.324070  165.8748 49.98275 186.2393 48.77769 -20.36446      69.83937 
1 1 1 -7  13 24 o 491.1516 20.19620 57.49106       4.666105  49.46493       8.674651  60.75881       5.535066  444.3780 41.99611 503.8045 23.35562 -59.42651      48.05371 
1 1 1 -7  13 25 o 228.6239 40.58665 13.38188       4.205023  0.000000       0.000000  13.38188       4.205023  ?        ?        228.6239 40.58665 0.000000       40.58665 
1 1 1 -7  13 26 o 255.7632 28.03079 16.08133       3.317181  10.94153       4.742740  21.00363       4.641309  201.2040 50.25752 289.5513 34.77112 -88.34735      61.11341 
1 1 1 -7  13 27 o 211.2955 41.48167 11.68401       3.975844  12.89211       4.716056  8.715816       7.392186  219.2557 47.12822 179.6083 66.27552 39.64738       81.32351 
1 1 1 -7  13 28 o 252.2389 27.28282 15.72824       3.185629  10.23879       4.596311  20.80285       4.419225  192.2706 50.25713 287.2662 33.32227 -94.99556      60.30052 
1 1 1 -7  13 29 o 357.6389 22.30662 31.12625       3.734024  30.05733       5.418715  32.09281       5.152735  344.0265 33.92551 357.7663 30.92138 -13.73981      45.90286 
1 1 1 -7  13 31 o 113.7308 43.92733 2.948497       3.334319  -0.9836506     5.472054  5.270661       4.205155  107.0446 48.86829 138.1069 50.13530 -31.06229      70.01184 
1 1 1 -7  13 32 f 128.7423 43.61912 4.685354       3.146348  4.069561       5.025640  5.082295       4.034941  128.3147 52.46139 133.3883 49.00496 -5.073578      71.78915 
1 1 1 -7  13 33 o 68.09090 33.92274 -8.790132      4.336354  -8.790132      4.336354  0.000000       0.000000  68.09090 33.92274 ?        ?        0.000000       33.92274 
1 1 1 -7  15 1  o 619.5827 11.08938 90.32505       3.232034  88.86607       3.834319  93.90607       6.007112  614.5065 13.26455 631.4575 20.22331 -16.95093      24.18534 
1 1 1 -7  15 2  o 472.7182 9.940703 52.57531       2.210491  56.24403       3.047829  48.50391       3.210742  488.8730 13.25334 453.9531 15.03575 34.91989       20.04307 
1 1 1 -7  15 3  o 678.0455 10.25849 108.1696       3.271988  107.6319       4.469477  108.7906       4.803095  676.2570 14.04998 679.8564 15.01878 -3.599365      20.56613 
1 1 1 -7  15 4  o 1019.298 12.36192 244.4900       5.927295  239.4834       6.642344  264.0607       13.13254  1008.736 13.99827 1058.361 26.37822 -49.62500      29.86238 
1 1 1 -7  15 5  o 759.7697 13.04314 135.8481       4.661583  136.0386       5.473240  135.3448       8.895771  760.2196 15.30510 757.7805 24.95576 2.439148       29.27518 
1 1 1 -7  15 6  o 672.7711 10.29470 106.4966       3.257996  105.4629       3.554928  111.9203       8.143027  669.4728 11.28830 689.0540 25.12253 -19.58118      27.54210 
1 1 1 -7  15 7  o 45.52949 20.70403 -0.6118652     0.9701163 -0.5922610     0.9929169 -1.024079      4.553019  46.40300 21.04130 107.8573 47.18641 -61.45434      51.66521 
1 1 1 -7  15 8  o 385.6510 10.42927 34.99546       1.891985  34.40299       1.989368  40.60643       6.122108  382.3624 11.06039 413.4970 31.71624 -31.13458      33.58947 
1 1 1 -7  15 9  o 811.3875 15.60830 155.0006       5.957354  143.2224       9.046565  164.0192       7.916093  779.3622 24.67602 834.3773 20.16876 -55.01508      31.86981 
1 1 1 -7  15 10 o 97.27232 32.59572 2.095847       1.756818  3.937310       2.075876  -2.551914      3.297932  126.9059 34.06132 81.19198 37.38827 45.71397       50.57723 
1 1 1 -7  15 11 o 884.5377 12.02102 184.1514       5.001806  191.6272       7.291921  177.5084       6.873825  901.9851 17.18594 868.1460 16.83202 33.83911       24.05564 
1 1 1 -7  15 12 o 587.9833 12.61766 81.38346       3.489901  81.18312       6.149396  81.47864       4.238607  586.7350 22.28031 588.2094 15.31870 -1.474426      27.03839 
1 1 1 -7  15 13 o 820.9003 12.20456 158.6364       4.712830  163.1787       7.034589  154.9374       6.348054  832.1420 17.97099 810.9664 16.64058 21.17560       24.49215 
1 1 1 -7  15 14 o 867.4630 16.05510 177.2923       6.551388  178.2218       7.603569  174.6136       12.90778  869.4790 18.59041 858.6979 31.95522 10.78113       36.96944 
1 1 1 -7  15 15 o 302.1728 15.58552 21.57319       2.207823  17.91051       3.720432  23.56421       2.743032  273.4987 29.37846 315.5613 18.56070 -42.06256      34.75044 
1 1 1 -7  15 16 o 717.0050 12.90660 121.1003       4.353146  109.5640       6.134032  132.8055       6.178767  681.3773 19.13767 750.3784 17.50460 -69.00110      25.93572 
1 1 1 -7  15 17 o 682.5422 13.16648 109.7813       4.227353  110.5602       6.343530  109.1590       5.669801  684.1490 19.71110 680.0781 17.72310 4.070923       26.50728 
1 1 1 -7  15 18 o 597.4258 15.71607 84.22270       4.416695  74.13794       9.088390  87.34079       5.053571  555.9073 34.93246 608.1224 17.66599 -52.21515      39.14542 
1 1 1 -7  15 19 o 550.8717 25.95370 72.14188       6.725414  74.64329       9.334044  69.44115       9.698780  556.5826 35.84151 535.6780 38.75124 20.90466       52.78515 
1 1 1 -7  15 20 o 788.5620 14.40489 146.8328       5.343369  151.4906       8.185168  143.3737       7.053759  798.9527 21.77896 778.0094 19.27376 20.94330       29.08266 
1 1 1 -7  15 21 o 419.4074 17.85626 41.67079       3.522865  48.49294       5.282640  36.20690       4.727605  450.2169 25.04268 388.5581 26.01548 61.65881       36.11012 
1 1 1 -7  15 22 o 223.7395 24.93713 12.11030       2.579919  6.939484       3.950059  15.95705       3.406994  164.7198 48.02516 256.1411 28.77416 -91.42125      55.98543 
1 1 1 -7  15 23 o 132.1002 38.80297 4.389422       2.570139  2.229327       4.082387  5.807751       3.308004  120.2919 47.95565 150.7609 43.94732 -30.46903      65.04699 
1 1 1 -7  15 24 o 87.76320 37.78447 0.7661212E-02  2.823990  3.956600       5.373534  -1.499160      3.319332  142.4437 55.55610 85.22994 38.57526 57.21372       67.63528 
1 1 1 -7  15 25 o 118.1483 40.44002 3.310328       2.704699  1.425294       4.095984  4.767762       3.601578  113.2405 46.93804 138.6106 46.66952 -25.37009      66.19081 
1 1 1 -7  15 26 o 90.36550 37.48270 0.7600378      2.614614  -2.819517      3.962960  3.519199       3.479315  86.92744 40.36451 124.7949 45.55762 -37.86742      60.86699 
1 1 1 -7  15 27 o 116.8862 43.15582 3.022645       3.135229  -0.8846827     4.303193  7.443521       4.577253  100.1987 44.74875 165.4251 52.42956 -65.22640      68.92974 
1 1 1 -7  15 28 o 204.1083 32.74881 10.61540       3.037991  10.69208       4.278428  10.53742       4.314536  197.6712 46.74623 195.8827 47.34818 1.788528       66.53616 
1 1 1 -7  15 29 o 204.0954 34.22501 10.78514       3.169511  10.56447       4.509487  11.00058       4.455727  193.1125 49.43242 197.8596 48.29605 -4.747116      69.10913 
1 1 1 -7  15 30 o 153.2722 43.77741 6.580263       3.313145  5.909632       5.287167  7.013871       4.251384  146.8197 55.65719 155.7120 50.64746 -8.892227      75.25216 
1 1 1 -7  15 31 o 126.3862 47.05257 4.240027       3.742329  9.797860       5.236375  -1.562426      5.350370  175.2907 56.13304 102.5279 47.35826 72.76283       73.44197 
1 1 1 -7  15 32 o 98.38380 41.57422 1.439512       3.308527  3.029132       4.300231  -0.8665280     5.179388  116.4742 48.17110 101.6642 46.83011 14.80996       67.18269 
1 1 1 -7  15 33 o 167.0605 45.80665 8.774172       3.707407  10.38942       5.060299  6.902498       5.447183  170.9702 55.22669 141.2979 55.68894 29.67227       78.42988 
1 1 1 -7  17 1  f 882.0190 12.63607 183.0802       5.242750  190.7672       6.520682  169.0250       8.817211  900.2217 15.39835 846.9907 22.13010 53.23108       26.96016 
1 1 1 -7  17 2  o 880.8059 12.91054 182.5830       5.349261  181.0466       6.375506  186.2366       9.831749  876.9784 15.45455 888.9578 23.51150 -11.97937      28.13599 
1 1 1 -7  17 3  o 434.8897 10.85800 44.50266       2.221255  44.53566       3.019905  44.46376       3.278685  434.9711 14.75923 434.5884 16.03808 0.3827209      21.79575 
1 1 1 -7  17 4  o 982.8575 11.85578 227.3272       5.481382  227.5105       7.656351  227.1345       7.851005  983.0052 16.55757 982.1655 16.99305 0.8396606      23.72587 
1 1 1 -7  17 5  o 1331.234 16.79747 417.2817       10.51883  426.8374       12.86811  398.0381       18.26115  1346.045 20.32292 1298.618 29.89353 47.42627       36.14753 
1 1 1 -7  17 6  o 389.9428 11.02964 35.78148       2.023166  35.26202       2.156538  39.59572       5.843654  387.0872 11.84347 408.3784 30.64294 -21.29114      32.85205 
1 1 1 -7  17 7  o 398.7828 10.34527 37.42084       1.940651  37.50698       2.050740  36.68253       6.003783  399.2310 10.91986 392.6557 32.80500 6.575287       34.57473 
1 1 1 -7  17 8  o 106.0851 25.37323 2.761595       1.249143  2.761595       1.249143  0.000000       0.000000  106.0851 25.37323 ?        ?        0.000000       25.37323 
1 1 1 -7  17 9  o 603.2066 10.66079 85.62811       3.024997  84.13856       3.209568  97.47325       9.050806  597.9125 11.41142 642.3302 29.95433 -44.41772      32.05437 
1 1 1 -7  17 10 o 1205.031 18.08263 342.1393       10.25013  356.4210       17.42520  334.5829       12.67499  1227.995 30.16561 1191.056 22.62278 36.93835       37.70615 
1 1 1 -7  17 11 o 75.36916 32.21212 -0.7519780E-01 2.025356  0.5693940      2.393343  -1.701349      3.801396  87.74718 36.07687 93.45430 41.87443 -5.707123      55.27213 
1 1 1 -7  17 12 o 507.3856 12.91193 60.61767       3.081758  60.98140       4.223628  60.20356       4.506654  508.6597 17.65180 505.3245 18.95896 3.335175       25.90422 
1 1 1 -7  17 13 o 693.1339 21.20930 113.3871       6.915328  117.8359       9.242435  107.7289       10.42319  705.7276 27.84069 674.0015 32.87534 31.72614       43.08007 
1 1 1 -7  17 14 o 704.6918 12.11788 116.9509       4.016939  111.6387       5.932392  121.4487       5.458739  687.9245 18.33242 717.7504 16.16775 -29.82593      24.44328 
1 1 1 -7  17 15 o 473.7268 17.63197 52.95451       3.929145  47.45082       4.364505  76.48634       9.024765  448.1592 20.70300 565.8524 34.06373 -117.6932      39.86166 
1 1 1 -7  17 16 o 209.3960 18.24961 10.43259       1.779621  13.35346       3.498532  9.412991       2.067025  234.6007 32.58165 198.1758 22.57601 36.42490       39.63887 
1 1 1 -7  17 17 o 404.0308 13.70121 38.49865       2.604010  41.08094       4.638855  37.31057       3.146535  415.5576 23.83023 397.4741 16.82885 18.08347       29.17345 
1 1 1 -7  17 18 o 73.22263 30.57888 0.2649330      1.757079  3.349639       3.559825  -0.7286466     2.020334  127.3625 46.14455 69.29522 30.82459 58.06724       55.49302 
1 1 1 -7  17 19 o 384.0629 15.24716 34.85299       2.754614  27.56141       4.324985  39.82957       3.573056  338.7572 27.37497 410.1212 18.52074 -71.36395      33.05158 
1 1 1 -7  17 20 o 145.7018 30.38926 5.280956       2.015411  2.926803       3.735532  6.247595       2.393685  124.0687 46.84289 158.1593 33.23018 -34.09069      57.43258 
1 1 1 -7  17 21 o 158.5715 29.87515 6.241739       2.146710  9.547825       3.997630  4.902069       2.544746  192.7227 44.92534 139.3561 37.84290 53.36659       58.73986 
1 1 1 -7  17 22 o 307.7094 28.06640 22.98875       4.017833  24.12607       4.586009  19.23306       8.333722  314.0570 31.46581 263.3353 67.08730 50.72177       74.09995 
1 1 1 -7  17 23 f 221.6467 25.28100 11.95510       2.588715  14.55409       4.145564  10.29384       3.314356  240.2897 37.93457 201.9355 36.22215 38.35420       52.45070 
1 1 1 -7  17 24 o 267.6931 23.12275 17.32217       2.883114  11.44157       4.587872  21.16016       3.706403  207.9015 47.89784 294.6718 27.04064 -86.77029      55.00363 
1 1 1 -7  17 25 o 148.0392 40.60941 5.700358       2.913080  4.631392       6.462876  5.972910       3.263389  151.9076 60.40816 151.1727 43.53023 0.7349701      74.45822 
1 1 1 -7  17 26 o 127.1332 41.15801 4.075628       2.809339  6.628357       3.989309  1.564209       3.956898  157.6951 48.79499 111.9689 46.24987 45.72620       67.23096 
1 1 1 -7  17 27 o 374.2268 19.83215 33.73707       3.478737  29.83115       5.111527  37.10706       4.747924  345.4585 31.81212 389.2264 26.08264 -43.76791      41.13776 
1 1 1 -7  17 28 f 135.6006 40.17831 4.888800       2.745295  1.613170       3.905193  8.089166       3.860067  110.0047 45.73363 170.8523 46.69638 -60.84753      65.36143 
1 1 1 -7  17 29 o 138.3597 42.78828 5.224452       3.068071  7.309751       5.358617  4.207495       3.742140  158.9412 56.73392 128.8516 47.21530 30.08960       73.81071 
1 1 1 -7  17 30 o 220.3327 32.47438 12.66742       3.264881  11.25743       5.101189  13.64575       4.249181  191.1738 54.22307 221.6835 42.29086 -30.50964      68.76524 
1 1 1 -7  17 31 o 115.0234 50.14695 1.844828       5.102631  0.000000       0.000000  1.844828       5.102631  ?        ?        115.0234 50.14695 0.000000       50.14695 
1 1 1 -7  19 1  o 749.8996 10.58699 132.3298       3.734606  132.3164       5.055534  132.3458       5.540825  749.7092 14.33524 749.7252 15.71097 -0.1599121E-01 21.26814 
1 1 1 -7  19 2  o 433.4006 12.41045 44.20938       2.530151  43.31930       2.902359  47.02735       5.164220  428.9653 14.38333 445.8689 24.71905 -16.90359      28.59915 
1 1 1 -7  19 3  o 1028.690 14.35580 249.1237       6.946742  258.4948       8.519225  230.5291       12.00051  1047.638 17.28700 988.5222 25.80738 59.11578       31.06221 
1 1 1 -7  19 4  o 661.6996 12.53279 103.0580       3.901017  103.8347       6.768715  102.6717       4.773541  663.7004 21.68028 660.3355 15.36762 3.364929       26.57439 
1 1 1 -7  19 5  o 152.2288 27.36880 5.636484       1.887794  6.124066       2.058802  3.061831       4.730968  158.6342 28.64386 137.0620 52.48227 21.57224       59.79013 
1 1 1 -7  19 6  o 443.6618 10.97190 46.32487       2.289830  45.02634       2.438585  56.00476       6.658060  437.3767 11.85258 486.0234 29.25836 -48.64670      31.56795 
1 1 1 -7  19 7  o 340.1710 29.38875 27.54757       4.656524  27.54757       4.656524  0.000000       0.000000  340.1710 29.38875 ?        ?        0.000000       29.38875 
1 1 1 -7  19 8  o 671.8400 10.59667 106.2337       3.348918  105.9384       3.598355  108.1451       9.154220  670.8699 11.40240 676.4130 28.77001 -5.543152      30.94719 
1 1 1 -7  19 9  o 553.8372 10.75593 72.19929       2.802202  69.32001       2.955236  97.85970       8.822316  542.6489 11.57721 643.2432 29.15668 -100.5943      31.37107 
1 1 1 -7  19 10 o 71.18378 28.57340 0.5553117      1.459789  0.3333616      1.517427  3.311534       5.347333  69.59998 28.68396 143.9841 55.62423 -74.38412      62.58454 
1 1 1 -7  19 11 o 563.3796 16.21872 74.81364       4.298203  72.82997       4.933314  81.06422       8.757177  555.6478 18.87426 583.7637 32.01237 -28.11584      37.16221 
1 1 1 -7  19 12 o 649.6935 13.65998 99.45150       4.174725  94.82034       5.024076  109.7821       7.503687  634.0995 16.84339 681.4586 23.40809 -47.35907      28.83814 
1 1 1 -7  19 13 o 341.5854 16.70006 27.52484       2.683407  31.68041       3.511269  21.69002       4.160662  365.6241 20.49815 300.8272 29.79370 64.79684       36.16405 
1 1 1 -7  19 14 o 312.6826 15.57561 23.06383       2.290964  31.99501       3.724701  17.62892       2.905581  367.1461 21.66264 271.9553 22.92636 95.19073       31.54185 
1 1 1 -7  19 15 o 307.7167 14.92789 22.34036       2.160820  26.88033       3.759003  20.09982       2.640728  335.8896 23.94753 290.9306 19.40726 44.95905       30.82412 
1 1 1 -7  19 16 o 299.6599 23.91621 21.44502       3.343162  18.82533       3.740885  31.83710       7.450763  279.6310 28.85403 359.6095 45.03283 -79.97858      53.48375 
1 1 1 -7  19 17 o 420.9223 14.08838 41.82384       2.789538  34.33413       5.536963  44.37150       3.229310  377.4130 31.47495 433.3448 15.84189 -55.93173      35.23689 
1 1 1 -7  19 18 o 313.0578 15.08624 23.16168       2.221646  24.25958       4.059695  22.69233       2.654383  317.5169 27.45048 308.9843 18.34463 8.532593       33.01597 
1 1 1 -7  19 19 o 308.8535 15.43913 22.56534       2.243080  24.45184       4.341647  21.87845       2.619804  317.8626 29.36864 303.1972 18.45638 14.66544       34.68652 
1 1 1 -7  19 20 o 224.2158 19.37871 12.03226       2.023814  13.22628       3.801247  11.55991       2.390836  230.5334 36.24937 218.8175 23.60086 11.71585       43.25526 
1 1 1 -7  19 21 f 290.9098 17.90907 20.17442       2.438850  19.83613       4.170856  20.35018       3.006384  284.4564 31.70992 291.1665 22.11522 -6.710114      38.66008 
1 1 1 -7  19 22 o 376.4722 16.22691 33.63123       2.873678  22.34897       4.497770  41.41353       3.735541  301.4973 32.21210 417.0748 19.04014 -115.5776      37.41853 
1 1 1 -7  19 23 f 159.3397 51.21967 6.543743       4.356649  9.438169       5.494081  1.640606       7.150736  187.2388 57.14983 141.5813 60.51886 45.65750       83.23842 
1 1 1 -7  19 24 o 162.2811 31.04137 6.629563       2.283270  5.989974       3.908336  6.960954       2.813274  152.1947 48.46977 164.4627 37.23103 -12.26805      61.11848 
1 1 1 -7  19 25 o 347.1599 18.50409 28.87172       3.010902  26.41373       4.672709  30.61684       3.937245  326.8063 30.75733 355.4985 23.67976 -28.69223      38.81681 
1 1 1 -7  19 26 o 73.34375 33.80334 -1.753691      2.703711  -2.996433      6.078011  -1.447114      3.018840  109.2068 50.45476 80.07010 36.45412 29.13671       62.24617 
1 1 1 -7  19 27 o 90.45638 36.55796 1.167532       2.407383  2.571973       3.736425  0.1707095      3.147845  116.2154 46.02081 91.69875 39.68415 24.51666       60.76798 
1 1 1 -7  19 28 o 148.2643 39.30090 5.942732       2.785303  11.36147       5.190238  3.751037       3.300867  196.1512 54.36643 122.9331 44.45061 73.21810       70.22511 
1 1 1 -7  19 29 o 98.64880 41.78918 1.068830       3.356071  -1.208977      4.156899  5.332937       5.687547  93.65216 42.69162 142.6878 56.69191 -49.03561      70.96864 
1 1 1 -7  19 30 o 71.97288 33.45804 -1.717564      2.735170  -2.481272      4.339348  -1.214125      3.523174  88.57780 41.49315 85.17813 39.00877 3.399673       56.95055 
1 1 1 -7  21 1  o 829.6465 11.00497 162.0099       4.294883  157.9790       5.716143  167.2357       6.508462  819.0171 14.83682 842.5449 16.42162 -23.52783      22.13144 
1 1 1 -7  21 2  o 1221.016 13.50144 351.0488       7.754801  347.6161       10.69106  354.8601       11.26535  1214.407 18.71490 1226.879 19.51972 -12.47266      27.04195 
1 1 1 -7  21 3  o 1122.627 19.28035 297.1189       10.18169  296.2248       13.89085  298.1570       14.96751  1119.794 26.37069 1123.061 28.33198 -3.266724      38.70548 
1 1 1 -7  21 4  f 609.7595 14.44529 87.56970       4.143373  90.48753       6.373558  85.43401       5.452819  619.2843 21.87875 601.9566 19.25691 17.32770       29.14633 
1 1 1 -7  21 5  o 507.4418 13.60701 60.64177       3.248017  57.89657       3.619381  71.99763       7.361335  495.7268 15.52110 550.9899 28.49916 -55.26312      32.45161 
1 1 1 -7  21 6  o 1124.207 13.13446 297.6379       6.945890  295.0608       7.683760  309.1558       16.24407  1119.161 14.59526 1142.616 30.22216 -23.45447      33.56189 
1 1 1 -7  21 7  o 355.2021 11.27812 29.70508       1.884436  29.70508       1.884436  0.000000       0.000000  355.2021 11.27812 ?        ?        0.000000       11.27812 
1 1 1 -7  21 8  o 330.7939 11.11435 25.76431       1.729462  25.60975       1.800532  27.60702       6.217013  329.7842 11.60651 338.0435 39.86335 -8.259247      41.51864 
1 1 1 -7  21 9  o 159.1086 19.14494 6.060224       1.404141  5.727999       1.452492  10.80262       5.487777  154.4124 20.50390 207.6725 55.22076 -53.26001      58.90452 
1 1 1 -7  21 10 o 368.4775 13.40222 31.99444       2.323041  33.60566       2.512205  22.48811       6.102159  377.6016 14.14334 303.1924 44.07624 74.40921       46.28984 
1 1 1 -7  21 11 o 537.0357 11.74116 67.94151       2.966084  67.52913       3.160527  70.98692       8.588888  535.3429 12.55042 544.8248 33.67794 -9.481873      35.94046 
1 1 1 -7  21 12 o 429.6619 15.59530 43.55544       3.152026  42.88779       3.454169  46.87872       7.706399  426.2103 17.22861 440.9865 37.50594 -14.77621      41.27373 
1 1 1 -7  21 13 o 945.3444 16.30943 210.9920       7.252672  238.1184       9.068367  162.8419       12.08180  1003.542 19.20986 826.3964 31.07950 177.1454       36.53703 
1 1 1 -7  21 14 o 379.4886 17.67638 34.04082       3.155449  32.68119       3.915431  36.56005       5.329698  370.5840 22.56824 390.5565 29.22188 -19.97244      36.92213 
1 1 1 -7  21 15 o 663.4698 13.81754 103.8885       4.312423  110.3583       6.049533  97.20410       6.149060  682.8172 18.83424 640.4789 20.40961 42.33826       27.77194 
1 1 1 -7  21 16 o 210.2542 22.71007 10.62392       2.210443  9.420334       4.309024  11.05375       2.575071  192.0915 47.86185 213.7930 26.15023 -21.70148      54.53981 
1 1 1 -7  21 17 o 322.4153 14.77156 24.57031       2.240327  22.81840       3.820506  25.48842       2.765750  307.9160 26.63904 327.5063 18.02181 -19.59024      32.16246 
1 1 1 -7  21 18 o 83.89558 29.88978 1.467135       1.486676  2.405804       3.246197  1.218006       1.672367  114.5147 43.56292 82.84079 31.32667 31.67391       53.65714 
1 1 1 -7  21 19 o 242.8289 17.40339 14.05480       1.974759  13.92483       3.735058  14.10523       2.326521  237.2322 34.47927 242.6329 20.57789 -5.400665      40.15308 
1 1 1 -7  21 20 o 296.8869 16.68443 20.96819       2.320638  38.10940       6.963061  18.82634       2.461358  392.4314 38.20401 280.8407 18.73899 111.5908       42.55228 
1 1 1 -7  21 21 f 103.5532 30.90954 2.638227       1.620330  -1.575141      3.199050  4.092146       1.879214  83.24216 37.75449 127.4083 31.52678 -44.16610      49.18678 
1 1 1 -7  21 22 o 373.8229 15.93525 33.16687       2.802167  38.49584       6.008075  31.68540       3.167816  395.9372 32.54628 364.3442 18.54455 31.59299       37.45878 
1 1 1 -7  21 23 o 109.2376 34.29175 2.932840       1.962293  10.15593       3.767801  0.2444651      2.298641  197.7906 41.80448 81.45639 34.54982 116.3342       54.23380 
1 1 1 -7  21 24 o 152.6547 30.68572 5.896171       2.127092  5.407680       3.664815  6.144330       2.612091  144.8947 47.01875 154.1649 36.57125 -9.270233      59.56694 
1 1 1 -7  21 25 o 153.8937 33.04016 6.081577       2.320356  -0.5739784     3.456545  11.54102       3.130575  91.50922 40.53045 213.9084 32.10286 -122.3992      51.70407 
1 1 1 -7  21 26 o 337.9330 18.41165 27.48023       2.915760  22.80939       4.312667  31.41290       3.957237  301.6588 30.82516 358.8415 23.57453 -57.18271      38.80655 
1 1 1 -7  21 27 o 232.0846 24.35012 13.31725       2.618767  11.91761       3.745448  14.65589       3.662922  211.6867 39.05198 238.6545 33.55472 -26.96777      51.48764 
1 1 1 -7  21 28 o 66.79196 31.43359 -2.249896      2.540382  0.1776754E-01  3.981661  -3.806741      3.299116  98.52851 43.57666 71.46057 34.24680 27.06794       55.42353 
1 1 1 -7  23 1  o 617.2937 10.52741 89.71224       3.056909  92.95461       4.159152  85.90291       4.508152  628.1055 14.07677 603.6664 15.87568 24.43909       21.21774 
1 1 1 -7  23 2  o 585.7273 10.68269 80.77547       2.943373  82.74793       4.001451  78.44994       4.344837  592.5889 14.35472 576.8626 16.01149 15.72626       21.50409 
1 1 1 -7  23 3  o 385.7512 19.10849 35.11785       3.467392  33.17479       4.538585  37.84186       5.373813  373.5036 25.99390 398.5513 28.85883 -25.04767      38.83960 
1 1 1 -7  23 4  o 253.2912 18.38999 15.21785       2.176203  13.41829       2.431351  22.46730       4.879956  237.2915 22.03342 305.4317 34.57398 -68.14021      40.99795 
1 1 1 -7  23 5  o 684.3717 11.96527 110.3187       3.851978  108.9061       4.260262  116.6469       9.017138  679.8589 13.32135 701.6015 27.32177 -21.74261      30.39634 
1 1 1 -7  23 6  o 191.8863 19.87015 8.788489       1.767564  8.788489       1.767564  0.000000       0.000000  191.8863 19.87015 ?        ?        0.000000       19.87015 
1 1 1 -7  23 7  o 163.0538 16.17556 6.332795       1.224306  6.287786       1.259903  7.095720       5.187156  162.3957 16.73236 172.6856 55.92864 -10.28993      58.37794 
1 1 1 -7  23 8  f 385.1680 10.74204 34.94158       1.946285  35.67968       2.047263  28.00833       6.274590  389.1923 11.18253 339.6115 40.04670 49.58072       41.57868 
1 1 1 -7  23 9  o 387.3249 11.21266 35.34243       2.042930  36.07725       2.159327  29.07253       6.307532  391.3007 11.73109 346.0064 39.45881 45.29425       41.16571 
1 1 1 -7  23 10 o 452.8966 11.44239 48.33186       2.437726  47.62754       2.585168  53.98336       7.322955  449.5263 12.22544 474.3746 33.02268 -24.84833      35.21305 
1 1 1 -7  23 11 o 477.8061 13.17597 53.83840       2.961444  56.43465       3.249504  41.11177       7.194496  489.0948 14.12391 412.0859 37.52570 77.00882       40.09567 
1 1 1 -7  23 12 o 536.4197 13.29174 67.87762       3.353945  67.87762       3.353945  0.000000       0.000000  536.4197 13.29174 ?        ?        0.000000       13.29174 
1 1 1 -7  23 13 o 240.8111 22.10947 13.87376       2.476548  15.66343       2.733686  5.680737       5.849026  255.8323 22.95999 162.4048 59.10181 93.42757       63.40493 
1 1 1 -7  23 14 o 111.5731 33.07231 3.038224       1.859814  3.142022       1.945670  1.939358       6.330633  113.5149 33.86803 140.8593 58.36728 -27.34441      67.48172 
1 1 1 -7  23 15 o 329.7702 19.70648 25.88381       3.042972  30.42175       3.744932  17.06506       5.220570  357.0140 22.41291 260.7314 44.14037 96.28259       49.50466 
1 1 1 -7  23 16 o 249.5592 24.09509 14.98065       2.793425  15.69387       3.491380  13.71189       4.656658  254.0437 29.78096 232.7644 44.14461 21.27931       53.25084 
1 1 1 -7  23 17 o 121.1290 36.92395 3.598086       2.294483  3.545452       3.079715  3.663749       3.439852  124.7949 43.13127 128.4979 45.49926 -3.702957      62.69361 
1 1 1 -7  23 18 o 283.9354 17.95095 19.20188       2.385256  20.29128       3.708780  18.43341       3.114925  289.5204 27.56499 276.7613 24.16861 12.75909       36.65992 
1 1 1 -7  23 19 o 170.0389 24.31375 7.050491       1.889405  8.573788       3.408225  6.374647       2.270175  183.2468 40.60659 159.7693 31.32587 23.47757       51.28553 
1 1 1 -7  23 20 f 328.0789 14.95232 25.49864       2.307578  25.24838       4.217035  25.60561       2.756965  322.4357 28.08363 327.7749 17.94898 -5.339264      33.32951 
1 1 1 -7  23 21 o 179.9579 24.18952 7.905794       1.995849  4.066588       6.002542  8.383002       2.116258  147.4267 58.34610 185.1960 24.92521 -37.76929      63.44709 
1 1 1 -7  23 22 o 125.4662 29.85622 3.980806       1.736584  7.231169       3.536218  2.947812       1.993526  165.9301 44.42251 109.5954 34.58639 56.33470       56.29900 
1 1 1 -7  23 23 o 208.1762 21.47612 10.50904       2.072874  5.617088       3.545831  13.04885       2.554922  146.9169 46.09253 231.4580 23.80519 -84.54108      51.87685 
1 1 1 -7  23 24 o 205.0983 24.76539 10.34068       2.340964  8.385646       3.737982  11.60226       3.002733  176.5475 44.90482 215.1413 30.52658 -38.59386      54.29839 
1 1 1 -7  23 25 o 114.6166 34.73069 3.366176       2.034423  6.465303       3.339155  1.536657       2.565578  154.5380 43.88313 96.03172 38.10087 58.50629       58.11545 
1 1 1 -7  23 26 o 174.9828 28.71045 7.775890       2.281237  7.910128       3.259851  7.647063       3.193485  170.6335 41.10136 167.8506 40.83554 2.782852       57.93844 
1 1 1 -7  23 27 o 289.1668 22.16110 20.55478       2.991516  17.03924       4.614843  23.10274       3.928772  251.0581 40.45069 302.9588 27.88078 -51.90067      49.12836 
1 1 1 -7  25 1  o 615.0398 10.75543 89.09595       3.111719  95.77250       4.337503  82.01603       4.466608  637.3047 14.46850 589.5817 16.10514 47.72302       21.64978 
1 1 1 -7  25 2  o 488.3948 11.08811 56.18780       2.547405  58.66600       3.473519  53.30373       3.747174  498.7523 14.80524 475.2311 16.76215 23.52124       22.36436 
1 1 1 -7  25 3  o 218.1139 21.87162 11.36790       2.213823  14.68787       4.117609  10.01801       2.625597  245.2225 36.83404 203.4859 28.18688 41.73662       46.38153 
1 1 1 -7  25 4  o 338.5753 15.60253 27.04759       2.484961  24.86263       2.763800  36.26635       5.677025  323.9203 18.21231 388.9862 31.29010 -65.06589      36.20440 
1 1 1 -7  25 5  o 230.9964 18.70062 12.69110       2.014596  13.00356       2.212002  11.17123       4.878622  233.6082 20.33203 210.3521 50.03294 23.25606       54.00636 
1 1 1 -7  25 6  o 500.2227 10.98867 58.95324       2.585698  58.17460       2.757464  64.62545       7.442503  496.8435 11.79834 519.8912 30.56696 -23.04770      32.76492 
1 1 1 -7  25 7  o 465.7190 10.18833 51.09255       2.232010  52.03149       2.360930  43.19263       6.848168  469.9431 10.67993 423.4198 34.68661 46.52328       36.29355 
1 1 1 -7  25 8  o 436.8507 10.31890 44.96055       2.120488  44.92097       2.230319  45.33294       6.841557  436.6192 10.85912 433.9059 33.78526 2.713287       35.48752 
1 1 1 -7  25 9  f 221.2964 19.08494 11.67250       1.967279  11.94411       2.102693  9.765162       5.572060  223.6980 20.20018 196.1261 56.99854 27.57190       60.47215 
1 1 1 -7  25 10 f 195.9453 22.71984 9.231465       2.055297  10.48208       2.216456  1.557670       5.490391  208.9202 22.93029 131.4716 54.40672 77.44855       59.04142 
1 1 1 -7  25 11 o 184.1560 19.68991 8.123952       1.679252  7.549746       1.745872  15.21998       6.137421  177.1532 21.38295 243.2013 54.94344 -66.04810      58.95771 
1 1 1 -7  25 12 o 443.0273 12.67099 46.31124       2.640647  46.35576       2.789602  45.92747       8.190596  443.1588 13.38177 433.0978 40.67987 10.06091       42.82433 
1 1 1 -7  25 13 o 647.9240 12.12066 99.04407       3.694192  98.66560       3.966923  101.5161       10.13818  646.5273 13.04360 648.6313 33.33986 -2.104065      35.80058 
1 1 1 -7  25 14 o 428.4557 13.17983 43.34349       2.656348  42.56936       2.813390  49.70274       8.063517  424.4957 14.08923 450.9050 38.38150 -26.40927      40.88577 
1 1 1 -7  25 15 o 598.7172 18.13707 84.96587       5.108086  89.38764       6.112851  74.73247       9.299409  613.2362 21.19077 554.2752 35.85864 58.96100       41.65202 
1 1 1 -7  25 16 o 510.3516 17.23343 61.72068       4.137239  59.91293       4.640333  68.72771       9.135823  502.2625 19.64034 530.3790 36.84646 -28.11646      41.75410 
1 1 1 -7  25 17 o 153.2469 36.26586 5.940135       2.573618  8.178743       3.102544  1.001399       4.608259  179.8695 37.86597 117.5072 49.32807 62.36228       62.18593 
1 1 1 -7  25 18 o 281.1194 21.70957 18.95678       2.848614  21.91200       3.714030  14.73445       4.439428  300.9882 26.50203 241.6342 40.48949 59.35397       48.39170 
1 1 1 -7  25 19 o 471.8807 15.36626 52.78074       3.410905  52.55771       4.794182  53.00935       4.853867  469.0737 21.72722 471.0249 21.90658 -1.951233      30.85402 
1 1 1 -7  25 20 o 143.5055 33.21641 5.227851       2.197946  1.293995       4.070571  6.846813       2.611346  112.5859 46.73977 164.1528 34.89303 -51.56693      58.32778 
1 1 1 -7  25 21 o 271.3473 20.16107 17.69974       2.555021  9.621195       3.575807  26.12664       3.652091  192.6320 40.73494 328.6786 23.78177 -136.0466      47.16893 
1 1 1 -7  25 22 f 231.7772 21.87349 13.02393       2.356634  8.989299       5.668795  13.86689       2.591153  180.4296 58.47076 238.7282 23.37370 -58.29854      62.96951 
1 1 1 -7  25 23 o 305.4117 18.09469 22.39573       2.588011  12.88725       3.566846  32.96671       3.760855  224.7798 34.86232 369.1586 21.75344 -144.3788      41.09250 
1 1 1 -7  25 24 o 184.6373 48.19678 9.478683       4.230897  5.945304       6.356652  12.28894       5.669002  154.6456 60.39453 205.2034 56.79833 -50.55782      82.90688 
1 1 1 -7  25 25 o 151.0401 49.26985 6.365771       4.022176  3.124257       5.729525  9.515459       5.647789  132.0848 55.19453 178.0263 58.39861 -45.94153      80.35442 
1 1 1 -7  27 1  o 953.8265 12.17501 214.4668       5.462708  231.0513       7.991275  199.9192       7.484477  988.9131 17.17864 919.8514 17.29715 69.06171       24.37820 
1 1 1 -7  27 2  o 814.7963 11.56126 156.4709       4.431223  175.7829       6.615797  140.7578       5.967602  862.7375 16.30175 771.9909 16.43306 90.74658       23.14719 
1 1 1 -7  27 3  o 429.8586 11.76451 43.55459       2.378859  48.19496       3.346493  38.81461       3.382221  451.7902 15.74649 405.2346 17.74297 46.55563       23.72266 
1 1 1 -7  27 4  o 440.1517 14.45708 45.71914       2.993313  48.18382       3.434450  37.93104       6.105094  451.6713 16.16462 396.8342 33.00439 54.83710       36.75030 
1 1 1 -7  27 5  o 235.2031 20.38056 13.19651       2.232618  13.19651       2.232618  0.000000       0.000000  235.2031 20.38056 ?        ?        0.000000       20.38056 
1 1 1 -7  27 6  o 440.3528 11.08029 45.70264       2.295204  44.76888       2.431652  53.32937       6.949495  435.7652 11.86259 471.2248 31.53331 -35.45966      33.69081 
1 1 1 -7  27 7  f 155.7250 15.77523 5.786413       1.139643  5.663214       1.168595  8.180737       5.151725  153.9532 16.38833 180.8440 55.36636 -26.89084      57.74090 
1 1 1 -7  27 8  o 280.0397 13.44923 18.50500       1.771684  17.70687       1.854081  26.89061       6.009781  273.4867 14.46339 331.4302 39.31414 -57.94357      41.89023 
1 1 1 -7  27 9  o 172.8033 17.17589 7.130500       1.377678  6.804640       1.420672  12.27111       5.642680  168.6091 18.20064 218.2372 54.98858 -49.62811      57.92242 
1 1 1 -7  27 10 o 503.9410 11.09390 59.87384       2.629864  59.36678       2.769181  64.53627       8.397016  501.7315 11.73304 516.7017 34.74944 -14.97025      36.67680 
1 1 1 -7  27 11 o 420.7377 12.42196 41.76630       2.458503  41.76630       2.458503  0.000000       0.000000  420.7377 12.42196 ?        ?        0.000000       12.42196 
1 1 1 -7  27 12 o 289.7640 14.44580 19.83689       1.969043  19.01779       2.049082  29.71165       7.114651  283.2145 15.43892 345.5363 44.82774 -62.32181      47.41188 
1 1 1 -7  27 13 o 430.7434 15.98217 43.89433       3.238348  43.49025       3.504621  46.25446       8.469857  428.5279 17.38572 432.9662 42.11975 -4.438385      45.56684 
1 1 1 -7  27 14 o 437.5571 13.84225 45.24231       2.849120  45.69373       3.036215  41.91439       8.243788  439.6060 14.68248 410.8473 43.30814 28.75879       45.72932 
1 1 1 -7  27 15 o 337.2529 14.66364 26.90399       2.326305  25.89930       2.437923  37.12842       7.777203  330.7632 15.66872 385.6300 43.64111 -54.86688      46.36869 
1 1 1 -7  27 16 o 131.1622 31.03565 4.318929       1.885007  5.714561       1.990488  -7.812129      5.868450  151.6807 28.95334 94.11412 45.25242 57.56659       53.72223 
1 1 1 -7  27 17 o 257.8796 19.06273 15.90407       2.296056  15.90407       2.296056  0.000000       0.000000  257.8796 19.06273 ?        ?        0.000000       19.06273 
1 1 1 -7  27 18 o 106.5798 34.05377 2.743841       1.928009  3.280035       2.047716  -1.444114      5.722816  115.0143 34.84236 114.8444 51.42434 0.1699142      62.11645 
1 1 1 -7  27 19 o 302.8638 32.27340 22.66773       4.527093  20.21106       5.983353  25.95719       6.923633  278.3097 47.40218 315.6458 48.15479 -37.33612      67.57108 
1 1 1 -7  27 20 o 316.5884 43.32913 25.84721       6.283386  0.000000       0.000000  25.84721       6.283386  ?        ?        316.5884 43.32913 0.000000       43.32913 
1 1 1 -7  27 21 o 87.11555 39.52929 -1.491530      3.512014  -9.919739      5.185428  5.651011       4.773570  79.14159 39.01008 149.7894 53.53883 -70.64776      66.24344 
1 1 1 -7  27 22 o 153.3279 47.28547 6.342754       3.749853  6.825209       5.904601  6.016647       4.854479  160.8567 59.25325 151.7626 54.01757 9.094055       80.18008 
1 1 1 -7  29 1  o 372.2973 11.52501 32.67239       2.018369  33.69997       2.565018  31.00158       3.270721  377.8693 14.43044 361.4257 19.30766 16.44357       24.10443 
1 1 1 -7  29 2  o 130.8483 34.25949 4.255944       2.133543  1.893282       3.905949  5.260653       2.547101  117.8363 46.92954 145.1407 37.15018 -27.30444      59.85413 
1 1 1 -7  29 3  o 185.7666 19.91777 8.263461       1.713365  6.850982       2.153317  10.70092       2.828696  167.2977 28.37608 209.7882 29.47725 -42.49046      40.91590 
1 1 1 -7  29 4  o 781.4742 13.98981 144.1292       5.142753  148.5250       6.040614  132.5506       9.803612  792.8422 16.19664 745.6343 27.95059 47.20782       32.30428 
1 1 1 -7  29 5  o 136.8566 29.57497 4.641627       1.848396  3.817847       1.952807  11.73306       5.729553  124.0184 32.92361 213.5024 56.25914 -89.48398      65.18478 
1 1 1 -7  29 6  o 545.2582 10.79002 70.07724       2.767538  69.96299       2.953942  70.89774       7.916144  544.7308 11.52791 543.3547 31.10056 1.376099       33.16833 
1 1 1 -7  29 7  o 260.8987 12.92015 16.06082       1.585655  15.88109       1.649318  18.25505       5.762819  259.0397 13.58265 269.4550 47.18456 -10.41522      49.10062 
1 1 1 -7  29 8  o 427.3439 11.11601 43.05884       2.234579  42.95381       2.356570  43.99525       7.036411  426.7620 11.73884 425.8374 35.44884 0.9246216      37.34195 
1 1 1 -7  29 9  o 492.2134 10.62007 57.11728       2.458952  57.29527       2.581882  55.38050       8.065047  492.9222 11.13496 477.5080 36.17376 15.41418       37.84875 
1 1 1 -7  29 10 o 251.0584 13.32883 14.92419       1.568475  15.19154       1.622332  11.09691       6.138238  253.2601 13.66831 206.3978 59.77846 46.86230       61.32118 
1 1 1 -7  29 11 o 518.6244 10.49252 63.42481       2.559776  64.79210       2.710037  52.11059       7.795736  524.1193 10.99198 462.4336 36.12435 61.68570       37.75966 
1 1 1 -7  29 12 o 133.4616 29.33005 4.439329       1.791112  3.898369       1.896678  8.897147       5.444682  124.8160 32.11733 185.7920 56.92510 -60.97600      65.36046 
1 1 1 -7  29 13 o 279.9889 31.38383 19.13916       4.062357  16.36445       5.380467  22.81808       6.195429  253.0092 46.93609 300.5878 45.21608 -47.57864      65.17277 
1 1 1 -7  29 14 o 68.83558 33.38007 -5.395889      3.362993  -1.758324      4.471952  -10.13080      5.102083  100.0226 45.06738 79.01410 38.89827 21.00846       59.53271 
1 1 1 -7  29 15 o 249.5961 36.46142 15.54146       4.154671  21.26932       6.004220  10.27943       5.754891  288.4985 45.77118 196.2263 58.17923 92.27222       74.02583 
1 1 1 -7  29 16 o 369.2258 36.31180 33.79905       6.225231  33.79905       6.225231  0.000000       0.000000  369.2258 36.31180 ?        ?        0.000000       36.31180 
1 1 1 -7  29 17 o 88.61352 39.63422 -1.070759      3.389306  -0.7711058     4.743995  -1.383175      4.843975  107.2371 47.49014 105.2464 47.20586 1.990715       66.96048 
1 1 1 -7  29 18 o 293.5739 30.28793 21.25124       4.122608  31.30202       6.339290  13.88526       5.426950  351.9735 38.94023 226.5796 52.01682 125.3939       64.97762 
1 1 1 -7  29 19 o 150.9726 48.31054 5.977600       3.879160  5.555886       5.867787  6.304995       5.170125  153.8928 58.56263 157.0141 55.76107 -3.121262      80.86333 
1 1 1 -7  31 1  o 428.8479 17.99709 43.52849       3.630571  0.000000       0.000000  43.52849       3.630571  ?        ?        428.8479 17.99709 0.000000       17.99709 
1 1 1 -7  31 2  f 116.1585 34.91972 3.285653       2.062621  0.9554102      3.828635  4.238533       2.448288  109.4785 45.37966 130.8733 37.70955 -21.39480      59.00274 
1 1 1 -7  31 3  o 339.4503 13.11361 27.19480       2.093957  30.72695       2.964656  23.67859       2.957960  360.3403 17.49010 315.4028 20.04090 44.93747       26.59965 
1 1 1 -7  31 4  o 360.2670 15.60990 30.67988       2.645416  30.96766       3.054295  29.81570       5.292742  361.6626 17.95304 350.8800 32.43358 10.78262       37.07086 
1 1 1 -7  31 5  o 101.3657 32.06170 2.439123       1.712360  2.592341       1.855596  1.560048       4.444697  104.6662 33.40454 120.4637 49.30353 -15.79754      59.55419 
1 1 1 -7  31 6  o 353.2082 22.70444 29.79122       3.752354  44.97622       5.406416  15.67777       5.212172  433.1591 26.66291 248.9465 46.20984 184.2126       53.35036 
1 1 1 -7  31 7  o 630.4931 19.73529 94.32578       5.853198  113.6147       8.866898  79.42926       7.792192  689.1822 27.35069 575.7314 28.77202 113.4507       39.69748 
1 1 1 -7  31 8  o 230.7332 30.84319 13.01456       3.263852  16.32283       4.519470  9.408443       4.718529  256.3618 38.68025 190.7503 51.41855 65.61148       64.34306 
1 1 1 -7  31 9  o 364.0896 24.20437 31.76965       4.121831  29.66409       5.562256  34.33413       6.138560  348.4673 34.38095 374.7793 35.23303 -26.31201      49.22820 
1 1 1 -7  31 10 o 287.0946 41.19723 20.60940       5.404243  20.60940       5.404243  0.000000       0.000000  287.0946 41.19723 ?        ?        0.000000       41.19723 
1 1 1 -7  31 11 o 102.5321 42.09886 1.071178       3.253571  -1.546968      4.948486  3.064804       4.318145  106.8671 47.83800 129.4482 49.99197 -22.58113      69.19300 
1 1 1 -7  31 12 o 268.3935 30.64707 17.63039       3.799902  17.17598       5.755226  17.98157       5.059496  257.3674 49.33333 266.8822 41.66245 -9.514801      64.57195 
1 1 1 -7  31 13 o 147.2245 50.69955 5.234840       4.253477  0.000000       0.000000  5.234840       4.253477  ?        ?        147.2245 50.69955 0.000000       50.69955 
1 1 1 -7  31 14 o 352.7231 26.00005 30.11444       4.283559  34.98811       6.510498  26.39418       5.688169  374.9016 37.41692 324.9384 37.92727 49.96320       53.27761 
1 1 1 -7  31 15 o 169.2544 42.92318 7.481357       3.422452  3.421522       4.794212  11.70036       4.887287  134.1113 52.42902 209.2776 50.27390 -75.16624      72.63792 
1 1 1 -7  33 6  o 301.0454 39.87217 22.56540       5.507458  22.56540       5.507458  0.000000       0.000000  301.0454 39.87217 ?        ?        0.000000       39.87217 
1 1 1 -7  33 7  o 194.1096 50.77271 9.848395       4.688998  0.000000       0.000000  9.848395       4.688998  ?        ?        194.1096 50.77271 0.000000       50.77271 
1 1 1 -7  33 8  o 83.95110 38.06971 -1.621093      3.250967  -4.931630      5.034603  0.7464329      4.257586  93.46093 44.06512 111.7714 47.19269 -18.31046      64.56690 
1 1 1 -7  33 9  o 239.9603 33.53461 14.25722       3.681888  20.69263       5.439061  8.813912       5.002272  286.5000 41.57196 183.0651 54.23358 103.4349       68.33381 
1 1 1 -6  0  1  o 1678.405 32.73517 664.6849       25.82307  664.6849       25.82307  664.6849       25.82307  1678.405 32.73517 1678.405 32.73517 0.000000       0.000000 
1 1 1 -6  0  2  o 1290.469 18.18382 392.1639       11.03336  392.1639       11.03336  392.1639       11.03336  1290.469 18.18382 1290.469 18.18382 0.000000       0.000000 
1 1 1 -6  0  3  o 41.70694 21.70013 0.5952198      0.5539712 0.5952198      0.5539712 0.5952198      0.5539712 41.70694 21.70013 41.70694 21.70013 0.000000       0.000000 
1 1 1 -6  0  4  o 224.6312 10.05907 11.94158       1.058060  11.94158       1.058060  11.94158       1.058060  224.6312 10.05907 224.6312 10.05907 0.000000       0.000000 
1 1 1 -6  0  5  o 1192.951 17.24216 335.1207       9.671173  335.1207       9.671173  335.1207       9.671173  1192.951 17.24216 1192.951 17.24216 0.000000       0.000000 
1 1 1 -6  0  6  o 1213.507 24.98383 347.2057       14.24804  347.2057       14.24804  347.2057       14.24804  1213.507 24.98383 1213.507 24.98383 0.000000       0.000000 
1 1 1 -6  0  7  o 326.3637 13.92424 25.19794       2.128830  25.19794       2.128830  25.19794       2.128830  326.3637 13.92424 326.3637 13.92424 0.000000       0.000000 
1 1 1 -6  0  8  o 234.9502 17.90398 13.21671       1.952344  13.21671       1.952344  13.21671       1.952344  234.9502 17.90398 234.9502 17.90398 0.000000       0.000000 
1 1 1 -6  0  9  o 620.9407 14.80211 90.88731       4.318025  90.88731       4.318025  90.88731       4.318025  620.9407 14.80211 620.9407 14.80211 0.000000       0.000000 
1 1 1 -6  0  10 o 168.7654 32.37336 7.409394       2.296438  7.409394       2.296438  7.409394       2.296438  168.7654 32.37336 168.7654 32.37336 0.000000       0.000000 
1 1 1 -6  0  11 o 632.3485 16.06030 94.32819       4.770301  94.32819       4.770301  94.32819       4.770301  632.3485 16.06030 632.3485 16.06030 0.000000       0.000000 
1 1 1 -6  0  12 o 142.2683 45.03181 6.031312       2.650592  6.031312       2.650592  6.031312       2.650592  142.2683 45.03181 142.2683 45.03181 0.000000       0.000000 
1 1 1 -6  0  13 o 573.9279 17.80803 77.79808       4.797279  77.79808       4.797279  77.79808       4.797279  573.9279 17.80803 573.9279 17.80803 0.000000       0.000000 
1 1 1 -6  0  14 o 465.0707 19.91607 51.21085       4.338868  51.21085       4.338868  51.21085       4.338868  465.0707 19.91607 465.0707 19.91607 0.000000       0.000000 
1 1 1 -6  0  15 o 1434.435 22.98691 484.9110       15.50170  484.9110       15.50170  484.9110       15.50170  1434.435 22.98691 1434.435 22.98691 0.000000       0.000000 
1 1 1 -6  0  16 o 285.6638 29.62642 19.83894       3.883045  19.83894       3.883045  19.83894       3.883045  285.6638 29.62642 285.6638 29.62642 0.000000       0.000000 
1 1 1 -6  0  17 o 203.1313 63.15272 12.20571       5.287202  12.20571       5.287202  12.20571       5.287202  203.1313 63.15272 203.1313 63.15272 0.000000       0.000000 
1 1 1 -6  0  18 o 236.1108 40.77749 14.27112       4.123832  14.27112       4.123832  14.27112       4.123832  236.1108 40.77749 236.1108 40.77749 0.000000       0.000000 
1 1 1 -6  0  19 o 546.1787 22.65858 70.61860       5.798747  70.61860       5.798747  70.61860       5.798747  546.1787 22.65858 546.1787 22.65858 0.000000       0.000000 
1 1 1 -6  0  20 o 253.5470 54.45210 17.15517       5.701115  17.15517       5.701115  17.15517       5.701115  253.5470 54.45210 253.5470 54.45210 0.000000       0.000000 
1 1 1 -6  0  21 o 59.09776 41.08622 -3.616039      4.042365  -3.616039      4.042365  -3.616039      4.042365  59.09776 41.08622 59.09776 41.08622 0.000000       0.000000 
1 1 1 -6  0  22 o 89.95605 54.12032 1.941270       4.145300  1.941270       4.145300  1.941270       4.145300  89.95605 54.12032 89.95605 54.12032 0.000000       0.000000 
1 1 1 -6  0  23 o 170.0823 65.65812 9.421717       4.984107  9.421717       4.984107  9.421717       4.984107  170.0823 65.65812 170.0823 65.65812 0.000000       0.000000 
1 1 1 -6  0  25 o 473.7058 28.52228 53.71616       6.302914  53.71616       6.302914  53.71616       6.302914  473.7058 28.52228 473.7058 28.52228 0.000000       0.000000 
1 1 1 -6  0  26 o 139.5716 72.30514 7.101665       6.130115  7.101665       6.130115  7.101665       6.130115  139.5716 72.30514 139.5716 72.30514 0.000000       0.000000 
1 1 1 -6  0  27 o 342.2039 33.16233 28.69158       5.223141  28.69158       5.223141  28.69158       5.223141  342.2039 33.16233 342.2039 33.16233 0.000000       0.000000 
1 1 1 -6  0  28 f 278.1118 40.96749 19.76455       5.018370  19.76455       5.018370  19.76455       5.018370  278.1118 40.96749 278.1118 40.96749 0.000000       0.000000 
1 1 1 -6  0  29 o 357.2570 55.40453 33.59097       8.644122  33.59097       8.644122  33.59097       8.644122  357.2570 55.40453 357.2570 55.40453 0.000000       0.000000 
1 1 1 -6  0  30 o 83.03033 52.57884 0.9882963      4.423725  0.9882963      4.423725  0.9882963      4.423725  83.03033 52.57884 83.03033 52.57884 0.000000       0.000000 
1 1 1 -6  0  31 o 89.86848 55.27661 1.965227       4.534889  1.965227       4.534889  1.965227       4.534889  89.86848 55.27661 89.86848 55.27661 0.000000       0.000000 
1 1 1 -6  0  32 o 120.1754 68.95895 5.359691       6.200947  5.359691       6.200947  5.359691       6.200947  120.1754 68.95895 120.1754 68.95895 0.000000       0.000000 
1 1 1 -6  0  33 o 111.9763 60.32627 4.815316       4.406040  4.815316       4.406040  4.815316       4.406040  111.9763 60.32627 111.9763 60.32627 0.000000       0.000000 
1 1 1 -6  0  34 o 132.7338 61.07313 6.712018       4.183237  6.712018       4.183237  6.712018       4.183237  132.7338 61.07313 132.7338 61.07313 0.000000       0.000000 
1 1 1 -6  0  35 o 156.0148 72.90929 10.02081       5.971418  10.02081       5.971418  10.02081       5.971418  156.0148 72.90929 156.0148 72.90929 0.000000       0.000000 
1 1 1 -6  0  36 o 241.7408 67.91725 19.11415       6.685331  19.11415       6.685331  19.11415       6.685331  241.7408 67.91725 241.7408 67.91725 0.000000       0.000000 
1 1 1 -6  2  1  o 1164.988 16.85541 319.5701       9.236981  0.000000       0.000000  319.5701       9.236981  ?        ?        1164.988 16.85541 0.000000       16.85541 
1 1 1 -6  2  2  o 837.3657 9.644332 164.9789       3.798889  164.8831       5.314478  165.0791       5.432341  836.9756 13.49828 837.4599 13.78966 -0.4843140     19.29659 
1 1 1 -6  2  3  o 1001.916 10.47501 236.2054       4.936905  238.0921       7.005246  234.3438       6.958663  1005.691 14.80776 997.7427 14.82648 7.948730       20.95457 
1 1 1 -6  2  4  f 974.7424 10.30955 223.5643       4.727146  237.2751       7.067306  212.4639       6.359035  1003.953 14.96481 950.0541 14.22898 53.89893       20.64968 
1 1 1 -6  2  5  o 2073.473 19.46136 1012.718       18.98196  1022.260       27.13773  1003.577       26.56066  2081.614 27.71431 2062.581 27.37529 19.03320       38.95496 
1 1 1 -6  2  6  o 687.3788 10.21797 111.1766       3.303924  107.0892       3.985665  120.1546       5.907037  674.5529 12.56075 714.3019 17.57999 -39.74902      21.60621 
1 1 1 -6  2  7  o 619.7363 10.74595 90.37805       3.132716  81.53984       5.127528  95.64201       3.957143  588.3743 18.52614 637.4506 13.19672 -49.07629      22.74580 
1 1 1 -6  2  8  o 1001.778 11.66374 236.1851       5.496403  241.7054       7.967122  231.1716       7.592572  1013.085 16.71808 990.7952 16.29055 22.28955       23.34258 
1 1 1 -6  2  9  o 597.5045 10.26534 84.01640       2.885253  86.83363       4.223354  81.55081       3.950979  607.2578 14.78479 588.5188 14.27168 18.73895       20.54923 
1 1 1 -6  2  10 o 689.8220 12.60511 112.0438       4.090280  117.7765       7.330870  109.4525       4.928804  706.4536 22.05985 681.6169 15.37205 24.83667       26.88749 
1 1 1 -6  2  11 o 44.34284 22.12007 -4.937598      1.868935  -4.124656      2.197476  -7.063020      3.553181  53.89674 26.32417 67.18097 32.95015 -13.28423      42.17433 
1 1 1 -6  2  12 o 64.31998 28.73666 -0.7503566     1.776481  -3.991190      2.638193  1.938185       2.402905  62.75904 30.21615 101.9259 37.75136 -39.16683      48.35474 
1 1 1 -6  2  13 o 282.7583 18.84730 18.94619       2.492518  17.76743       3.165013  20.87099       4.044417  272.9920 24.92132 295.3301 29.50743 -22.33810      38.62332 
1 1 1 -6  2  14 o 547.9816 14.95699 70.72732       3.855488  69.79787       6.570484  71.21540       4.761391  543.6179 25.69416 549.6682 18.41467 -6.050232      31.61154 
1 1 1 -6  2  15 o 1199.255 14.84193 338.6490       8.372809  333.5079       11.68637  344.0715       12.00181  1189.464 20.88618 1208.125 21.11863 -18.66101      29.70234 
1 1 1 -6  2  16 o 866.5452 13.65858 176.7694       5.567575  175.5645       7.919378  177.9468       7.828882  863.1895 19.50364 869.0543 19.15065 -5.864868      27.33385 
1 1 1 -6  2  17 o 505.0183 15.16831 60.05492       3.603410  60.10602       4.944134  59.99702       5.262760  504.9793 20.81361 504.4480 22.17828 0.5312805      30.41516 
1 1 1 -6  2  18 o 992.9702 21.11021 232.4797       9.860480  220.5113       13.15995  247.8003       14.88927  966.0216 28.95997 1023.721 30.91881 -57.69910      42.36334 
1 1 1 -6  2  19 o 668.6462 14.86954 105.3028       4.676955  105.0870       6.673056  105.5112       6.556901  667.4739 21.25304 668.8565 20.83994 -1.382568      29.76567 
1 1 1 -6  2  20 o 515.3798 16.65627 62.60096       4.038074  59.66112       5.616261  65.74722       5.810068  502.6029 23.75488 527.6477 23.40819 -25.04480      33.35023 
1 1 1 -6  2  21 o 324.2064 22.37900 24.94719       3.392066  22.28312       4.891558  27.41499       4.707921  304.2699 34.80181 338.8052 29.84469 -34.53531      45.84618 
1 1 1 -6  2  22 o 591.5903 16.43795 82.55480       4.574441  87.50883       6.636366  78.07018       6.314129  608.2087 23.19575 574.4482 23.36648 33.76056       32.92469 
1 1 1 -6  2  23 f 383.3949 24.44809 34.99368       4.386226  19.84542       7.176047  44.02862       5.541999  279.9077 56.44879 429.5703 27.57165 -149.6626      62.82246 
1 1 1 -6  2  24 o 472.4839 21.81638 52.94990       4.848853  51.42905       5.792663  56.51011       8.862846  463.9585 26.65370 482.0885 39.42704 -18.13004      47.59108 
1 1 1 -6  2  25 o 123.0761 43.34018 3.336806       3.116997  10.90742       4.538478  -3.422320      4.288348  206.2714 47.72158 90.44289 41.99426 115.8285       63.56781 
1 1 1 -6  2  26 o 266.4930 27.30680 17.22253       3.374812  19.39861       4.932624  15.30743       4.627395  279.0541 38.61137 246.3154 41.40608 32.73872       56.61538 
1 1 1 -6  2  27 o 188.4579 38.27396 9.060598       3.277219  14.12279       4.876680  4.891803       4.425478  233.1133 46.10538 144.4554 51.55860 88.65794       69.16643 
1 1 1 -6  2  28 o 629.8585 17.99780 94.61479       5.332510  100.3189       7.861259  89.75322       7.257492  643.7869 25.95857 609.3615 25.31875 34.42542       36.26136 
1 1 1 -6  2  29 o 66.33187 32.07600 -4.506802      3.053271  -2.923283      4.459295  -5.904369      4.189297  92.26913 42.83570 77.75982 37.59471 14.50931       56.99350 
1 1 1 -6  2  30 f 272.7449 46.67189 20.07654       5.772728  19.61653       7.859743  20.61534       8.506273  254.0167 65.38963 257.1714 68.91777 -3.154678      95.00243 
1 1 1 -6  2  31 o 219.5507 39.13313 12.75061       3.893369  12.68723       4.974991  12.85077       6.254007  211.4353 50.67996 205.6119 60.56723 5.823410       78.97372 
1 1 1 -6  2  32 o 274.6791 28.65614 19.02345       3.648134  24.89880       5.489608  14.37646       4.882136  306.4380 38.96392 225.6840 47.49117 80.75392       61.42962 
1 1 1 -6  2  33 o 108.8939 42.29372 2.633697       3.104238  6.527777       4.486629  -0.9422653     4.299462  148.8031 52.02328 95.89060 43.59791 52.91247       67.87636 
1 1 1 -6  2  34 o 95.80002 41.84335 0.6546925      3.567371  -2.047563      6.181298  2.004228       4.368261  105.4876 49.44885 110.8126 47.33216 -5.325050      68.45087 
1 1 1 -6  2  35 o 107.7531 46.05661 2.202536       4.141074  6.409038       5.989563  -1.649525      5.731670  138.9852 57.09935 100.5819 47.29832 38.40337       74.14491 
1 1 1 -6  2  36 o 124.2378 52.50665 4.991083       5.278511  4.991083       5.278511  0.000000       0.000000  124.2378 52.50665 ?        ?        0.000000       52.50665 
1 1 1 -6  4  1  o 1280.052 18.08092 385.8695       10.88723  0.000000       0.000000  385.8695       10.88723  ?        ?        1280.052 18.08092 0.000000       18.08092 
1 1 1 -6  4  2  o 720.7222 8.898087 122.2102       3.016712  119.8551       3.502131  128.9834       5.939128  713.7032 10.43147 740.1235 17.05883 -26.42035      19.99548 
1 1 1 -6  4  3  o 290.9005 7.949701 19.90831       1.087839  19.06944       1.419003  21.10410       1.694193  284.6788 10.59641 299.4624 12.02683 -14.78363      16.02899 
1 1 1 -6  4  4  o 1353.139 13.36252 430.9476       8.505508  432.2516       12.01085  429.6357       12.04644  1354.722 18.84751 1350.606 18.96099 4.116577       26.73477 
1 1 1 -6  4  5  o 1254.095 14.49407 370.2200       8.550474  373.3736       10.63245  364.4471       14.38560  1259.148 17.95095 1243.313 24.59678 15.83423       30.45059 
1 1 1 -6  4  6  o 712.1497 9.131596 119.3248       3.059055  118.9675       4.305571  119.6889       4.347042  710.9628 12.87403 713.1118 12.95886 -2.148987      18.26671 
1 1 1 -6  4  7  o 497.9416 10.55970 58.34604       2.473427  55.67777       4.481576  59.51482       2.966083  486.1283 19.59795 502.8532 12.53928 -16.72495      23.26614 
1 1 1 -6  4  8  o 660.2235 9.844089 102.5732       3.057284  99.58891       4.300566  105.6225       4.347116  650.3828 14.05683 669.8071 13.79692 -19.42438      19.69643 
1 1 1 -6  4  9  o 295.7526 13.42648 20.59603       1.867927  25.57670       3.372860  18.39262       2.243372  328.5435 21.95042 278.8586 17.18577 49.68491       27.87780 
1 1 1 -6  4  10 o 329.3228 12.37942 25.54086       1.917747  26.30819       2.860326  24.91426       2.584769  333.4832 18.30359 324.6346 16.98516 8.848511       24.97032 
1 1 1 -6  4  11 o 144.6930 31.94584 5.166645       2.116216  5.383116       2.542870  4.678954       3.816772  147.4266 36.78635 143.3899 48.04470 4.036728       60.51057 
1 1 1 -6  4  12 o 54.27848 26.14031 -3.023554      1.977867  -3.546373      3.739114  -2.820431      2.330625  83.01698 38.76764 62.43306 29.59846 20.58392       48.77498 
1 1 1 -6  4  13 o 236.4843 18.48231 13.26633       2.039679  11.83554       3.022658  14.46253       2.763779  221.6675 29.73779 246.2782 24.16794 -24.61070      38.32004 
1 1 1 -6  4  14 o 633.9501 12.60468 94.60747       3.758861  97.60308       5.491201  91.96615       5.156259  643.6104 18.13740 624.7845 17.54426 18.82587       25.23423 
1 1 1 -6  4  15 o 813.9326 15.27433 155.9905       5.848167  157.4019       10.27198  155.3137       7.113627  816.6717 26.73852 811.9454 18.62494 4.726257       32.58584 
1 1 1 -6  4  16 o 298.5532 21.59400 21.11929       3.012202  17.24138       5.389226  22.88118       3.632596  265.9917 44.65383 310.4401 25.08985 -44.44846      51.21977 
1 1 1 -6  4  17 o 209.5733 26.73281 10.53409       2.575392  9.242669       3.698638  11.74954       3.588183  193.7168 41.81434 219.9962 35.91213 -26.27936      55.11914 
1 1 1 -6  4  18 o 1799.065 19.41009 762.8979       16.42644  753.5217       22.90757  772.8221       23.56748  1786.110 27.26475 1808.717 27.69958 -22.60681      38.86687 
1 1 1 -6  4  19 o 548.7332 17.42674 70.96169       4.498281  72.09151       5.710402  69.11416       7.302227  552.7620 21.96136 539.8527 28.85935 12.90930       36.26519 
1 1 1 -6  4  20 o 553.8406 15.92184 72.28516       4.148081  76.13100       6.146462  69.06855       5.621209  567.7855 23.01291 540.8942 22.09266 26.89130       31.90110 
1 1 1 -6  4  21 o 994.9933 15.72184 233.3790       7.358562  233.4427       10.63244  233.3204       10.19452  993.9036 22.74151 993.8318 21.80644 0.7177734E-01  31.50709 
1 1 1 -6  4  22 f 467.7127 20.21051 51.68984       4.446576  61.20690       8.522668  48.13029       5.212211  505.1771 36.10218 450.1444 24.70958 55.03275       43.74849 
1 1 1 -6  4  23 o 184.0542 36.89600 8.401042       3.083205  2.702566       4.416647  13.81777       4.306077  129.6660 50.42403 236.5742 40.12815 -106.9082      64.44262 
1 1 1 -6  4  24 o 382.4201 28.79071 35.11715       5.141199  0.000000       0.000000  35.11715       5.141199  ?        ?        382.4201 28.79071 0.000000       28.79071 
1 1 1 -6  4  25 o 457.5725 21.79910 49.79833       4.692107  47.04700       5.769503  55.17242       8.063422  442.3715 27.86811 475.7116 36.30768 -33.34012      45.76985 
1 1 1 -6  4  26 o 224.6571 32.37070 12.46236       3.322163  13.74658       4.923210  11.38870       4.501551  230.7925 46.94601 209.6894 46.82094 21.10307       66.30331 
1 1 1 -6  4  27 o 155.7879 42.39590 6.286478       3.189886  5.585269       4.510006  6.988416       4.512353  150.8279 52.19085 164.0230 52.06413 -13.19505      73.71946 
1 1 1 -6  4  28 o 196.3450 41.66808 10.06987       3.729390  8.492867       6.388265  10.88520       4.593374  177.7873 62.08126 201.0645 49.01071 -23.27715      79.09572 
1 1 1 -6  4  29 o 280.5352 27.29835 19.38860       3.556777  22.42639       5.245526  16.80330       4.839105  295.5664 38.65418 253.3578 42.07957 42.20859       57.13874 
1 1 1 -6  4  30 o 396.2831 22.38719 38.14190       4.156173  30.54729       5.748952  46.45718       6.015539  346.0357 35.83769 432.3712 29.75781 -86.33548      46.58184 
1 1 1 -6  4  31 o 110.0713 43.05647 2.406360       3.234797  8.080858       4.631060  -3.000041      4.520337  167.9774 52.67197 91.27267 42.62381 76.70471       67.75784 
1 1 1 -6  4  32 o 173.9375 41.60999 8.336070       3.358844  6.838974       4.527396  10.16885       5.009325  154.1253 52.32310 184.1468 54.19527 -30.02145      75.33150 
1 1 1 -6  4  33 o 311.2165 37.61209 25.96073       5.394585  0.000000       0.000000  25.96073       5.394585  ?        ?        311.2165 37.61209 0.000000       37.61209 
1 1 1 -6  4  34 f 102.6738 43.01170 1.778496       3.491819  4.898930       6.081258  0.2436622      4.264976  135.2112 56.70813 99.59483 44.50923 35.61637       72.08941 
1 1 1 -6  4  35 o 110.2224 42.87559 3.195956       3.194014  4.322236       5.122244  2.479427       4.085580  124.6742 52.15038 108.9174 46.12175 15.75678       69.61952 
1 1 1 -6  4  36 o 144.6484 54.76387 8.076695       5.114648  8.076695       5.114648  0.000000       0.000000  144.6484 54.76387 ?        ?        0.000000       54.76387 
1 1 1 -6  6  1  f 2036.781 19.21090 977.0778       18.40608  950.3744       25.16096  1007.818       26.99609  2007.474 26.64452 2067.018 27.76434 -59.54382      38.48102 
1 1 1 -6  6  2  o 1957.186 18.51347 902.1287       17.04469  909.7489       24.34358  894.8003       23.87298  1964.125 26.34789 1947.979 26.05273 16.14661       37.05342 
1 1 1 -6  6  3  o 613.8439 8.651501 88.65051       2.498151  88.44020       2.892019  89.26874       4.958418  613.0847 10.02793 615.7200 17.11948 -2.635254      19.84026 
1 1 1 -6  6  4  o 906.7224 10.47134 193.4547       4.466279  192.6142       6.026081  194.4791       6.652876  904.5855 14.16172 908.8784 15.56089 -4.292847      21.04033 
1 1 1 -6  6  5  o 1046.629 13.29570 257.8406       6.545958  248.8407       10.86480  262.9693       8.201674  1027.482 22.47906 1056.772 16.49878 -29.28979      27.88400 
1 1 1 -6  6  6  f 557.2252 8.581944 73.05497       2.249498  75.84277       3.254097  70.50347       3.113126  567.6588 12.18635 547.3156 12.09176 20.34320       17.16735 
1 1 1 -6  6  7  o 282.2717 9.393294 18.74903       1.247253  17.50398       1.823234  19.84420       1.709974  272.2807 14.28481 290.3456 12.52001 -18.06488      18.99491 
1 1 1 -6  6  8  o 209.5453 14.65773 10.39269       1.435721  6.504162       3.267632  11.32296       1.598259  162.3566 42.34452 218.6777 15.64046 -56.32115      45.14069 
1 1 1 -6  6  9  o 160.4312 21.89606 6.189857       1.609284  0.000000       0.000000  6.189857       1.609284  ?        ?        160.4312 21.89606 0.000000       21.89606 
1 1 1 -6  6  10 o 80.56341 28.69859 1.318292       1.370496  -0.6803423     2.142498  2.702473       1.782996  72.31876 31.97610 106.5191 32.56546 -34.20037      45.63968 
1 1 1 -6  6  11 o 940.9045 12.14791 208.5009       5.376710  207.7915       7.738709  209.1629       7.475739  938.6281 17.52692 941.8156 16.87403 -3.187561      24.32953 
1 1 1 -6  6  12 o 341.9033 20.43137 27.67500       3.270983  27.67500       3.270983  0.000000       0.000000  341.9033 20.43137 ?        ?        0.000000       20.43137 
1 1 1 -6  6  13 o 501.7889 12.74383 59.27390       3.008087  59.11370       4.410203  59.41327       4.113438  500.8555 18.71875 502.1870 17.41286 -1.331543      25.56559 
1 1 1 -6  6  14 o 1050.127 13.67538 259.5989       6.755387  269.2295       9.905233  251.2242       9.236868  1068.925 19.69917 1032.627 19.01568 36.29797       27.37980 
1 1 1 -6  6  15 o 754.7776 14.77273 134.1236       5.245044  131.5993       9.172469  135.3500       6.393464  746.8610 26.10822 758.0440 17.92968 -11.18304      31.67195 
1 1 1 -6  6  16 o 946.5554 13.88791 210.9255       6.183753  207.6414       8.759364  214.1882       8.731000  938.7112 19.83679 953.4277 19.46736 -14.71649      27.79345 
1 1 1 -6  6  17 o 1092.614 14.70626 281.1060       7.558545  290.9794       11.04851  272.4196       10.36317  1110.958 21.14154 1075.021 20.49304 35.93762       29.44366 
1 1 1 -6  6  18 o 235.8151 28.14020 13.32556       3.059881  10.23678       3.990759  17.73187       4.766500  203.7437 42.99070 270.7356 38.51265 -66.99190      57.71849 
1 1 1 -6  6  19 o 1094.568 18.18340 282.4349       9.362399  281.4540       11.21453  284.6909       17.00755  1092.115 21.82949 1096.065 32.98651 -3.949707      39.55548 
1 1 1 -6  6  20 o 431.8266 17.78275 43.97233       3.612249  37.48564       5.093609  50.53538       5.123504  397.0703 27.43855 461.8763 23.66097 -64.80597      36.23141 
1 1 1 -6  6  21 o 403.5463 18.93881 38.43867       3.595136  44.78994       5.400050  33.38247       4.818143  434.0706 26.57446 374.3394 27.55553 59.73114       38.28197 
1 1 1 -6  6  22 o 431.6473 21.51081 44.07476       4.367722  46.07610       8.091285  43.25178       5.188615  436.6143 39.83439 426.2647 26.00065 10.34955       47.56903 
1 1 1 -6  6  23 o 705.6359 15.92313 117.5853       5.285407  114.9470       7.611339  120.0423       7.345154  696.0913 23.24478 711.6837 21.94040 -15.59235      31.96406 
1 1 1 -6  6  24 o 295.1767 28.40652 21.01034       3.895592  19.31482       5.026180  23.56124       6.165009  279.7577 39.27531 307.8599 43.80635 -28.10226      58.83490 
1 1 1 -6  6  25 o 167.7130 45.79910 7.197738       3.715014  7.755603       4.377235  5.760999       7.024645  173.8254 50.51959 167.3862 63.98526 6.439194       81.52511 
1 1 1 -6  6  26 o 146.8225 42.47629 5.491711       3.100740  8.437847       4.542634  2.921521       4.242912  179.4505 51.26275 127.2102 49.43528 52.24028       71.21599 
1 1 1 -6  6  27 o 95.88509 40.08683 0.7118521      3.024286  3.747026       4.341943  -2.148250      4.214859  133.5554 50.48341 93.92641 42.88313 39.62901       66.23848 
1 1 1 -6  6  28 o 384.8138 25.18067 35.98556       4.533001  33.35315       8.086664  37.19171       5.473854  354.5410 49.86619 388.5481 30.18572 -34.00711      58.29078 
1 1 1 -6  6  29 o 144.0312 43.48857 5.485384       3.193972  0.1460543      4.377134  11.56597       4.671101  106.4448 46.42509 205.4311 49.02034 -98.98630      67.51505 
1 1 1 -6  6  30 o 150.7815 45.55442 6.158168       3.503847  5.591661       4.373810  7.173009       5.854048  145.9579 51.34586 162.2374 59.11401 -16.27948      78.29983 
1 1 1 -6  6  31 o 152.0031 50.14346 6.422657       4.161758  10.82131       4.881328  -5.285375      7.963795  193.4244 52.36474 115.2086 54.64611 78.21581       75.68530 
1 1 1 -6  6  32 o 118.4553 44.49799 3.363110       3.361751  2.981551       4.646098  3.782380       4.870290  123.0418 50.38914 129.8255 52.16315 -6.783722      72.52627 
1 1 1 -6  6  33 o 395.7736 45.46964 44.29251       8.311466  44.29251       8.311466  0.000000       0.000000  395.7736 45.46964 ?        ?        0.000000       45.46964 
1 1 1 -6  6  34 o 156.0810 47.32442 7.487958       3.776473  5.975030       6.762753  8.173528       4.552399  141.5426 59.60485 158.9969 52.44371 -17.45430      79.39194 
1 1 1 -6  6  35 o 153.9699 47.99626 7.726904       3.851715  1.730083       5.031146  16.21879       5.986988  109.1846 48.60112 211.9661 58.24743 -102.7815      75.86061 
1 1 1 -6  6  36 o 126.8183 52.23457 5.674792       5.028417  5.674792       5.028417  0.000000       0.000000  126.8183 52.23457 ?        ?        0.000000       52.23457 
1 1 1 -6  8  1  o 1185.675 12.26911 330.8664       6.843026  336.5389       9.853435  325.5816       9.510664  1195.393 17.52297 1175.801 17.19522 19.59241       24.55056 
1 1 1 -6  8  2  o 1125.109 11.90452 297.9217       6.300511  288.2323       8.557068  309.3941       9.311157  1106.345 16.44239 1146.168 17.26974 -39.82324      23.84526 
1 1 1 -6  8  3  o 501.3015 9.085393 59.12950       2.142456  56.47973       2.387950  70.06541       4.851188  489.9120 10.36187 545.3441 18.91072 -55.43216      21.56348 
1 1 1 -6  8  4  o 269.4358 13.70730 17.13498       1.731575  17.13498       1.731575  0.000000       0.000000  269.4358 13.70730 ?        ?        0.000000       13.70730 
1 1 1 -6  8  5  o 532.7663 9.998053 66.79755       2.505656  66.15417       2.853329  68.96552       5.237772  530.1475 11.44158 540.8435 20.58760 -10.69598      23.55332 
1 1 1 -6  8  6  o 432.6208 8.639634 44.04293       1.758216  45.64187       2.425544  42.27253       2.552280  440.3098 11.71066 423.7072 12.80540 16.60257       17.35275 
1 1 1 -6  8  7  o 1086.543 11.93687 277.9985       6.101076  277.8392       8.596098  278.1603       8.660714  1085.602 16.83299 1086.212 16.95001 -0.6093750     23.88833 
1 1 1 -6  8  8  o 594.6990 10.59839 83.26875       2.964876  93.54935       5.450277  78.94787       3.533425  629.6885 18.40024 578.9149 12.97513 50.77362       22.51495 
1 1 1 -6  8  9  o 572.8059 9.951786 77.24035       2.681500  76.77660       4.008416  77.61599       3.607601  570.7634 14.92957 573.9904 13.36118 -3.226929      20.03530 
1 1 1 -6  8  10 o 1004.189 12.25237 237.4520       5.787682  230.7961       8.105667  244.3751       8.266747  989.4268 17.41549 1018.139 17.26070 -28.71198      24.52002 
1 1 1 -6  8  11 o 1107.686 14.79136 288.9667       7.707153  289.6721       9.831097  287.8419       12.41456  1108.578 18.85239 1104.350 23.89766 4.228027       30.43863 
1 1 1 -6  8  12 o 1105.397 13.35559 287.6427       6.944652  288.5907       9.976558  286.7515       9.672920  1106.707 19.16367 1103.228 18.63901 3.479004       26.73310 
1 1 1 -6  8  13 f 1073.908 16.20133 271.5642       8.184403  274.4520       9.894909  265.3092       14.56283  1079.325 19.48903 1060.099 29.20317 19.22644       35.10908 
1 1 1 -6  8  14 o 890.6030 12.98169 186.6907       5.438571  189.6344       7.922031  184.0665       7.479624  897.2424 18.76971 884.0270 17.98643 13.21539       25.99641 
1 1 1 -6  8  15 o 408.3869 14.97960 39.26682       2.877672  41.49559       4.297006  37.45439       3.874928  419.0069 21.87684 398.1248 20.76263 20.88214       30.16095 
1 1 1 -6  8  16 o 174.2863 33.53288 7.424970       2.649376  15.37456       5.486753  5.007858       3.025460  250.0729 48.39164 143.9675 42.04629 106.1054       64.10648 
1 1 1 -6  8  17 o 702.8732 13.82493 116.3225       4.570979  118.9083       6.729702  114.1078       6.228082  710.2108 20.14370 695.8131 19.02797 14.39771       27.70979 
1 1 1 -6  8  18 o 626.2158 14.48917 92.35885       4.268121  92.19299       6.163316  92.51167       5.916328  625.1890 20.95722 626.3415 20.08037 -1.152466      29.02459 
1 1 1 -6  8  19 o 577.6356 15.34063 78.61771       4.168372  77.16968       6.008399  79.96132       5.787727  571.7215 22.34112 582.0856 21.13741 -10.36414      30.75574 
1 1 1 -6  8  20 o 381.8009 18.79476 34.39539       3.375539  27.04765       4.709044  42.16122       4.841162  336.4311 30.07251 421.5375 24.52022 -85.10645      38.80202 
1 1 1 -6  8  21 o 617.6295 17.85556 90.04180       5.187651  91.79549       9.154248  89.21220       6.296237  620.5233 31.46431 614.2429 21.79072 6.280457       38.27321 
1 1 1 -6  8  22 o 723.6505 15.53389 123.5912       5.287840  129.1993       7.889074  119.0164       7.125376  738.4490 22.71100 709.0491 21.36300 29.39984       31.17959 
1 1 1 -6  8  23 o 316.5610 22.92153 23.91318       3.390164  31.02321       5.139410  18.43629       4.510710  358.8943 30.73892 274.6892 35.75628 84.20505       47.15286 
1 1 1 -6  8  24 o 430.7116 19.14591 43.99268       3.879108  43.88564       5.504838  44.09826       5.467132  427.4891 27.52101 428.6112 27.25770 -1.122131      38.73484 
1 1 1 -6  8  25 o 396.3220 20.67439 37.47972       3.840983  35.99198       5.454819  38.94280       5.409407  385.1851 30.35110 401.3294 28.84603 -16.14432      41.87222 
1 1 1 -6  8  26 o 279.0238 52.88632 20.53805       6.687451  0.000000       0.000000  20.53805       6.687451  ?        ?        279.0238 52.88632 0.000000       52.88632 
1 1 1 -6  8  27 o 115.8144 42.81182 2.852453       3.087299  0.6865324      4.450584  4.861377       4.286251  111.9994 47.80598 142.4528 50.75202 -30.45340      69.72216 
1 1 1 -6  8  28 o 236.5370 30.81946 13.95564       3.347750  13.10804       4.725317  14.80981       4.743603  221.3741 46.83867 237.1718 44.14279 -15.79767      64.36184 
1 1 1 -6  8  29 o 198.2327 36.53462 10.16030       3.281298  11.61226       4.695824  8.774855       4.587001  205.5274 49.22058 177.6615 51.73935 27.86584       71.41167 
1 1 1 -6  8  30 o 199.1123 37.77099 10.39242       3.408303  6.255851       4.676434  15.07933       4.977808  152.3141 53.12009 235.1411 46.64978 -82.82701      70.69615 
1 1 1 -6  8  31 o 136.7693 43.58186 5.048314       3.159472  6.712918       4.438214  3.338001       4.498737  154.3909 51.80817 126.1151 50.32140 28.27579       72.22417 
1 1 1 -6  8  32 o 93.38976 41.32004 -0.1075743     3.583369  -4.019025      6.074729  1.979764       4.437664  101.4829 48.01595 114.4982 48.25332 -13.01534      68.07286 
1 1 1 -6  8  33 o 229.2372 35.68925 14.11551       3.723273  12.89239       6.355565  14.75462       4.594166  193.8808 61.81577 226.8701 44.63863 -32.98929      76.24825 
1 1 1 -6  8  34 o 133.7562 49.81112 5.413828       4.194603  0.000000       0.000000  5.413828       4.194603  ?        ?        133.7562 49.81112 0.000000       49.81112 
1 1 1 -6  8  35 o 91.10761 41.32442 -0.2417121E-01 3.833395  -1.611772      5.182485  1.893877       5.696356  95.17993 44.82464 112.2682 50.69855 -17.08824      67.67268 
1 1 1 -6  10 1  o 545.1055 8.596299 69.92410       2.204252  70.63219       3.051136  69.15110       3.187928  547.7303 11.84201 541.9263 12.50544 5.804016       17.22264 
1 1 1 -6  10 2  o 70.23068 23.98884 1.067062       0.9517133 0.5567490      1.191139  1.967983       1.582659  65.82548 26.01021 93.48933 30.92606 -27.66386      40.40981 
1 1 1 -6  10 3  o 636.6730 9.345997 95.40464       2.799054  98.22470       3.935157  92.51678       3.982183  645.8106 12.95351 626.7294 13.50740 19.08118       18.71479 
1 1 1 -6  10 4  o 932.5400 10.99077 204.7438       4.821309  204.9161       5.488945  204.1617       10.08670  932.7940 12.50933 929.6252 23.06598 3.168823       26.23972 
1 1 1 -6  10 5  o 213.7001 11.62431 10.78543       1.164138  10.62798       1.233322  12.07194       3.525352  212.0682 12.41738 222.8221 34.76896 -10.75392      36.91981 
1 1 1 -6  10 6  o 732.7800 10.14361 126.4067       3.496516  122.1708       4.421993  133.4732       5.711484  720.1893 13.05275 752.4757 16.13568 -32.28644      20.75414 
1 1 1 -6  10 7  o 997.9346 13.20612 234.5522       6.199359  244.8573       10.42558  228.9155       7.710647  1018.424 21.76219 985.4742 16.63322 32.94946       27.39082 
1 1 1 -6  10 8  o 712.6165 10.09410 119.5236       3.383706  117.1793       4.736327  121.9675       4.835790  705.3476 14.27477 719.6134 14.28561 -14.26581      20.19525 
1 1 1 -6  10 9  o 464.9108 11.48475 50.87403       2.511657  49.16766       5.445828  51.33506       2.830698  455.6869 25.50797 466.9684 12.88655 -11.28156      28.57831 
1 1 1 -6  10 10 f 194.8956 14.86603 8.995053       1.352628  11.04193       2.481086  8.129403       1.613494  214.9224 25.00853 184.8085 18.82266 30.11391       31.30046 
1 1 1 -6  10 11 f 1000.006 14.22439 235.4033       6.691226  237.6338       11.54509  234.2751       8.210898  1003.902 24.44763 997.3898 17.50074 6.512085       30.06597 
1 1 1 -6  10 12 o 896.0331 13.52204 188.9762       5.699484  189.9709       7.520343  187.6338       8.736191  898.1462 17.80005 892.3957 20.81112 5.750488       27.38512 
1 1 1 -6  10 13 o 473.8079 16.23783 52.85854       3.619091  53.05870       4.179967  52.25922       7.232986  474.6194 18.72225 469.1779 32.98228 5.441498       37.92563 
1 1 1 -6  10 14 o 1368.762 17.77797 441.2717       11.44667  444.7087       19.91424  439.5759       13.98844  1372.143 30.85283 1365.649 21.77514 6.493896       37.76313 
1 1 1 -6  10 15 o 880.4572 13.23855 182.4863       5.482998  184.1056       8.042238  181.0800       7.494921  883.9229 19.34164 876.7238 18.17335 7.199036       26.53996 
1 1 1 -6  10 16 o 230.9929 22.50981 12.70343       2.414827  13.46109       3.694075  12.13806       3.191044  236.0607 34.26828 224.4825 31.05043 11.57817       46.24332 
1 1 1 -6  10 17 o 330.9586 20.01343 25.92099       3.101109  22.85518       4.251849  29.40547       4.532889  309.4900 29.56497 351.6749 27.62315 -42.18491      40.46141 
1 1 1 -6  10 18 o 576.7746 14.66037 78.36654       3.977593  76.84941       5.750318  79.75842       5.507844  570.6584 21.42132 581.4715 20.13650 -10.81305      29.39985 
1 1 1 -6  10 19 o 246.4629 23.95930 14.49148       2.742653  16.49299       4.126301  12.90737       3.670908  261.2924 34.40786 230.5284 34.94737 30.76396       49.04304 
1 1 1 -6  10 20 o 563.4717 23.42307 75.11014       6.208481  71.90845       8.123116  79.60762       9.627591  549.1587 31.57825 576.8514 35.65486 -27.69269      47.62830 
1 1 1 -6  10 21 o 283.5732 22.95639 19.16821       3.035959  20.47334       4.626364  18.18108       4.023477  290.8012 34.49249 274.4358 31.75320 16.36542       46.88280 
1 1 1 -6  10 22 o 555.1190 16.22752 72.79709       4.237477  70.67248       6.184759  74.67686       5.817486  545.5224 24.10132 561.2061 22.03656 -15.68365      32.65706 
1 1 1 -6  10 23 o 596.3260 22.12986 84.48656       6.207715  71.58146       9.574261  93.84663       8.153874  542.5295 37.75084 626.7264 27.65774 -84.19696      46.79826 
1 1 1 -6  10 24 o 436.5734 18.85955 45.23338       3.873093  48.15461       5.759111  42.82119       5.233324  447.4089 27.49732 422.1564 26.48750 25.25250       38.17971 
1 1 1 -6  10 25 o 363.2575 21.20745 31.57012       3.608120  25.31804       5.202212  37.36549       5.008598  320.3603 35.09503 393.2159 27.24591 -72.85562      44.42973 
1 1 1 -6  10 26 o 91.69505 40.15838 -0.4009912     3.305554  1.662604       5.941058  -1.326258      3.978184  132.1453 55.76867 95.18005 42.72903 36.96523       70.25607 
1 1 1 -6  10 27 o 90.23633 38.95945 0.3091033E-01  3.019598  -3.439562      4.436288  3.026710       4.121752  90.49642 42.24934 125.2258 48.70762 -34.72939      64.47821 
1 1 1 -6  10 28 o 228.6435 31.89717 13.12409       3.337251  7.663379       4.844051  18.05752       4.604247  167.7659 54.01729 265.6539 37.92072 -97.88803      65.99886 
1 1 1 -6  10 29 o 197.2421 42.02832 10.34767       3.780192  9.515459       6.928933  10.70034       4.510604  181.9044 64.55771 197.0563 48.89363 -15.15182      80.98324 
1 1 1 -6  10 30 o 129.4612 43.42992 4.339086       3.118808  4.137629       4.492516  4.526502       4.333123  133.3822 51.12605 135.8351 50.61869 -2.452911      71.94528 
1 1 1 -6  10 31 o 202.1405 37.83516 10.86928       3.465410  16.09300       5.130921  6.487718       4.699152  240.0082 47.12843 151.7645 53.23088 88.24371       71.09583 
1 1 1 -6  10 32 o 139.4655 51.61213 5.396459       4.489470  1.468490       5.888289  10.85018       6.938276  121.0287 53.28657 179.7945 64.51649 -58.76579      83.67697 
1 1 1 -6  10 33 o 264.7999 39.44376 19.39481       4.763253  0.000000       0.000000  19.39481       4.763253  ?        ?        264.7999 39.44376 0.000000       39.44376 
1 1 1 -6  10 34 o 161.4478 47.88717 8.270564       3.898287  6.061237       5.275725  10.92747       5.785490  137.5890 54.62147 172.6428 59.14528 -35.05376      80.50881 
1 1 1 -6  10 35 o 191.5486 59.49205 14.38169       5.923877  0.000000       0.000000  14.38169       5.923877  ?        ?        191.5486 59.49205 0.000000       59.49205 
1 1 1 -6  12 1  o 514.0604 8.948274 62.18816       2.163828  63.21166       2.974145  61.03714       3.153999  518.1503 12.20217 509.1169 13.16967 9.033417       17.95363 
1 1 1 -6  12 2  o 971.5513 11.14255 222.1945       5.092365  237.3757       7.539237  209.4572       6.905768  1003.752 15.96731 942.9188 15.56928 60.83319       22.30151 
1 1 1 -6  12 3  o 599.0328 10.71157 84.46203       3.018373  91.11255       3.928691  74.88110       4.715455  622.0387 13.42645 563.6694 17.78401 58.36926       22.28319 
1 1 1 -6  12 4  o 1254.859 13.46674 370.7666       7.949262  378.9638       9.292160  348.3948       15.35095  1268.423 15.57339 1214.451 26.87114 53.97253       31.05783 
1 1 1 -6  12 5  o 725.0472 12.25088 123.7429       4.178330  126.6919       4.993298  116.8549       7.631269  733.5196 14.47126 703.8622 23.04835 29.65735       27.21477 
1 1 1 -6  12 6  o 955.5764 11.21735 214.8959       5.042258  213.3652       5.580638  221.7004       11.76638  952.1010 12.46039 969.3530 25.80427 -17.25208      28.65522 
1 1 1 -6  12 7  o 589.2966 10.50060 81.71660       2.910834  78.27698       3.517824  89.18525       5.183705  576.6900 12.96768 615.3631 17.90769 -38.67310      22.10987 
1 1 1 -6  12 8  o 1291.979 13.94598 392.8988       8.475661  383.7994       11.48591  403.7771       12.55857  1276.502 19.12823 1309.175 20.39264 -32.67297      27.95978 
1 1 1 -6  12 9  o 976.0447 11.88356 224.1862       5.456140  219.0927       7.563705  229.7122       7.878194  964.6458 16.66854 987.7297 16.95584 -23.08386      23.77689 
1 1 1 -6  12 10 o 1117.526 17.87141 294.0842       9.394759  273.5434       13.73807  312.1284       12.87617  1076.957 27.11803 1150.771 23.78638 -73.81421      36.07187 
1 1 1 -6  12 11 o 499.2777 10.95279 58.65750       2.572387  58.43818       3.993258  58.81306       3.363161  498.1807 17.04007 499.8582 14.30314 -1.677582      22.24733 
1 1 1 -6  12 12 o 477.3488 11.39438 53.62198       2.558561  49.99860       3.890178  56.38415       3.396552  460.7567 17.94851 489.4007 14.75382 -28.64392      23.23412 
1 1 1 -6  12 13 f 503.8272 13.18758 59.75042       3.125476  64.00120       5.955395  58.13457       3.671774  520.9550 24.30194 496.8868 15.70902 24.06818       28.93714 
1 1 1 -6  12 14 o 487.0092 17.16976 55.86580       3.933424  60.91613       4.657877  43.31154       7.343851  508.4402 19.47507 426.1095 37.00560 82.33063       41.81737 
1 1 1 -6  12 15 o 320.6611 16.50717 24.28460       2.481488  20.27278       3.789142  27.29734       3.283606  291.6357 27.96331 339.6522 20.64967 -48.01657      34.76141 
1 1 1 -6  12 16 o 1031.493 15.75820 250.6386       7.646140  253.2035       10.05186  247.1165       11.77889  1036.184 20.62245 1023.097 24.47474 13.08643       32.00466 
1 1 1 -6  12 17 o 534.6246 16.44729 67.35796       4.136306  71.87872       8.490387  65.95110       4.736386  549.6843 32.98818 528.8357 19.03957 20.84863       38.08838 
1 1 1 -6  12 18 o 932.6746 16.09032 205.0529       7.059340  200.5054       11.94095  207.4962       8.752686  920.2939 27.58310 937.6722 19.84362 -17.37830      33.97936 
1 1 1 -6  12 19 o 859.4579 16.18151 174.2138       6.542037  171.6000       8.560512  177.8835       10.14322  852.1188 21.35651 866.8422 24.87520 -14.72339      32.78530 
1 1 1 -6  12 20 o 718.0828 14.88225 121.6302       5.027042  120.8765       7.334122  122.2981       6.903981  714.6725 21.81583 719.1398 20.40878 -4.467285      29.87388 
1 1 1 -6  12 21 o 293.8547 29.19898 20.78276       3.982727  25.55889       4.825465  10.57670       7.053911  325.4997 31.92608 205.3241 65.08735 120.1756       72.49577 
1 1 1 -6  12 22 o 302.1585 23.67936 21.84006       3.338753  19.26329       4.551294  24.84245       4.912824  280.7288 35.24173 319.9486 33.12204 -39.21976      48.36372 
1 1 1 -6  12 23 o 480.4297 17.09960 54.66830       3.864427  55.77721       5.728224  53.74206       5.235240  482.6457 25.31862 474.8914 23.43543 7.754303       34.50003 
1 1 1 -6  12 24 o 264.5870 29.01258 17.05211       3.551741  16.57848       6.974445  17.21795       4.126965  248.2699 60.31540 264.2334 33.99088 -15.96352      69.23386 
1 1 1 -6  12 25 o 87.12772 37.55105 -0.3533565E-01 2.795256  -4.166229      4.299145  2.989875       3.679069  86.54670 40.77922 122.6607 46.44496 -36.11404      61.80679 
1 1 1 -6  12 26 o 422.1587 19.92233 42.59098       3.956263  43.56361       5.814498  41.75251       5.398621  422.0892 29.46949 414.0114 27.88288 8.077820       40.56976 
1 1 1 -6  12 27 o 336.7702 28.75595 27.86483       4.511780  25.97309       5.295127  32.87753       8.619482  321.4543 35.61631 348.4836 54.35473 -27.02933      64.98429 
1 1 1 -6  12 28 o 81.01202 37.21016 -1.881227      3.238288  -5.461402      4.268082  2.975625       4.971163  80.24906 38.58725 129.9590 52.52995 -49.70992      65.17953 
1 1 1 -6  12 29 o 228.3626 32.53525 13.22443       3.396187  8.302299       4.824619  18.05906       4.781538  171.8474 53.74123 263.0873 39.88737 -91.23991      66.92625 
1 1 1 -6  12 30 o 105.8046 43.86057 1.516183       3.577037  7.728895       6.648952  -1.014358      4.243453  165.3886 62.48243 97.19872 43.83811 68.18988       76.32715 
1 1 1 -6  12 31 o 126.1910 45.19188 4.121130       3.402724  17.16409       6.520000  -0.7611572     3.989065  235.8609 58.93319 94.58371 42.59559 141.2771       72.71523 
1 1 1 -6  12 32 o 83.47352 37.93941 -0.9859175     3.252320  -7.612962      5.223775  3.209000       4.156103  82.02080 40.17131 119.7137 48.15640 -37.69293      62.71183 
1 1 1 -6  12 33 o 217.0064 55.38829 15.38645       5.673115  15.38645       5.673115  0.000000       0.000000  217.0064 55.38829 ?        ?        0.000000       55.38829 
1 1 1 -6  12 34 o 140.2025 46.70337 6.257687       3.607096  4.256837       4.824833  8.793104       5.431251  123.0907 50.97574 155.0510 56.87170 -31.96032      76.37353 
1 1 1 -6  14 1  o 1346.981 13.88131 427.0289       8.795517  431.3211       12.51026  422.8335       12.36843  1353.273 19.65222 1339.895 19.62341 13.37854       27.77208 
1 1 1 -6  14 2  o 535.1421 10.69113 67.38306       2.691299  66.29731       3.259548  69.70869       4.770465  530.7612 13.05536 544.0772 18.63936 -13.31604      22.75672 
1 1 1 -6  14 3  o 1756.236 17.19324 726.1906       14.20398  720.1036       19.82896  732.6056       20.35634  1747.994 24.11518 1763.039 24.54531 -15.04443      34.40951 
1 1 1 -6  14 4  o 706.7764 10.80763 117.5374       3.593204  117.6544       4.068284  117.1225       7.662203  707.0885 12.23117 705.0272 23.10354 2.061340       26.14144 
1 1 1 -6  14 5  f 375.4473 11.11506 33.16797       1.963044  33.63071       2.133759  30.61831       5.008618  378.0442 11.99868 359.0244 29.92957 19.01974       32.24512 
1 1 1 -6  14 6  o 499.1882 10.44564 58.63112       2.452837  57.10681       2.657049  67.41975       6.380031  492.6378 11.46575 534.8132 25.36012 -42.17532      27.83162 
1 1 1 -6  14 7  o 133.8299 17.46944 4.288446       1.073534  4.454532       1.110559  1.921522       4.192456  136.4050 17.72681 123.0079 48.73643 13.39716       51.86019 
1 1 1 -6  14 8  o 181.1394 18.03231 7.802547       1.516081  7.032957       1.652616  11.89117       3.809175  171.5234 20.91549 221.2138 37.97345 -49.69040      43.35252 
1 1 1 -6  14 9  o 440.8641 12.48090 45.74042       2.588331  46.28999       3.031698  44.26279       4.971127  443.4590 14.53326 432.6357 24.52752 10.82336       28.50991 
1 1 1 -6  14 10 o 587.7368 12.86517 81.29997       3.556869  87.63377       7.240637  79.28539       4.083539  609.6314 25.24877 580.3423 14.95833 29.28912       29.34710 
1 1 1 -6  14 11 o 816.2269 11.65963 156.7883       4.476770  151.2429       6.338789  162.3069       6.323458  801.4110 16.81441 830.2434 16.19123 -28.83240      23.34267 
1 1 1 -6  14 12 o 818.0063 11.77111 157.4828       4.529428  150.7824       6.471792  163.9159       6.341357  800.1226 17.19486 834.3085 16.15795 -34.18591      23.59539 
1 1 1 -6  14 13 o 574.5228 11.65229 77.68848       3.149110  76.32053       4.911175  78.64365       4.103809  569.1490 18.34384 577.9072 15.09592 -8.758179      23.75675 
1 1 1 -6  14 14 o 1235.208 14.63928 359.2975       8.506073  342.2507       11.69826  378.4210       12.39036  1204.818 20.64099 1266.862 20.79148 -62.04333      29.29737 
1 1 1 -6  14 15 o 489.4702 12.92942 56.41126       2.976971  59.39172       4.726153  54.45093       3.832934  501.8518 20.01995 480.7018 16.95065 21.14996       26.23210 
1 1 1 -6  14 16 o 671.4193 12.85648 106.1626       4.060553  101.1150       5.967129  110.5156       5.541448  654.7423 19.37429 684.7072 17.20478 -29.96490      25.91076 
1 1 1 -6  14 17 o 1034.143 14.35031 252.0031       6.980894  257.8764       10.22827  246.8813       9.551399  1045.058 20.80619 1022.714 19.85380 22.34381       28.75884 
1 1 1 -6  14 18 o 722.5719 15.99086 123.1463       5.435285  115.7551       10.32726  125.9781       6.392225  697.7469 31.46428 730.4705 18.60288 -32.72351      36.55227 
1 1 1 -6  14 19 o 430.7692 17.40772 43.82130       3.527409  42.98455       6.435246  44.18069       4.217434  423.3094 32.56746 432.1655 20.74574 -8.856140      38.61379 
1 1 1 -6  14 20 o 293.3716 20.51913 20.47907       2.813863  13.80356       4.275070  25.58175       3.737660  236.2212 39.89377 327.3226 24.45129 -91.10136      46.79080 
1 1 1 -6  14 21 o 347.8952 19.36417 28.76221       3.156405  27.09182       4.742033  30.09101       4.229470  335.0704 30.41707 354.5474 25.53048 -19.47696      39.71151 
1 1 1 -6  14 22 o 331.6080 24.98168 26.38286       3.868248  28.66231       7.523480  25.56373       4.510044  336.8960 48.90257 325.0319 29.83038 11.86407       57.28275 
1 1 1 -6  14 23 o 225.3676 28.18371 12.38660       2.922523  14.85341       4.640368  10.76486       3.762482  242.3187 42.24548 206.1700 40.23966 36.14870       58.34305 
1 1 1 -6  14 24 o 471.0175 18.06846 52.74317       4.003386  45.39522       5.658591  60.10699       5.664700  432.9555 27.93308 500.7706 24.04744 -67.81509      36.85833 
1 1 1 -6  14 25 o 256.0949 26.88198 16.00773       3.190098  12.88400       4.643779  18.79922       4.389881  221.8736 46.00336 274.5975 34.76357 -52.72391      57.66121 
1 1 1 -6  14 26 o 194.1895 38.04981 9.689915       3.351437  12.25030       6.034032  8.547679       4.030261  209.4359 58.82299 179.0164 47.19054 30.41945       75.41281 
1 1 1 -6  14 27 o 179.3306 39.56859 8.395346       3.248404  5.188707       4.390423  12.27408       4.828657  144.6866 51.38453 212.9596 49.19248 -68.27307      71.13557 
1 1 1 -6  14 28 f 324.9959 22.93629 25.65875       3.483962  20.45447       4.874392  31.09422       4.981486  282.4721 37.61925 353.9349 30.20963 -71.46274      48.24759 
1 1 1 -6  14 29 o 159.0962 40.82910 6.799446       3.070900  2.227879       4.295177  11.58003       4.392269  117.9734 48.39677 205.3211 46.54969 -87.34774      67.14999 
1 1 1 -6  14 30 o 75.34967 35.21742 -2.353923      3.096146  0.6563615      5.009418  -4.214684      3.938482  112.8387 49.42698 79.06438 37.76294 33.77435       62.20182 
1 1 1 -6  14 31 o 97.92720 40.84462 1.291452       3.129284  1.102557       5.122808  1.403893       3.952394  114.1672 49.99672 106.4514 45.23468 7.715858       67.42290 
1 1 1 -6  14 32 o 219.0996 33.29659 12.75666       3.323689  13.75149       5.292835  12.10895       4.270747  209.2102 53.55460 203.3506 45.75327 5.859665       70.43761 
1 1 1 -6  14 33 o 81.63587 37.71298 -1.305209      3.394544  1.241379       4.648311  -4.215220      4.968933  106.3627 47.06046 86.70806 41.67896 19.65467       62.86353 
1 1 1 -6  16 1  o 1009.869 11.75004 239.9718       5.581796  249.4663       8.089467  231.3432       7.711773  1029.422 16.70541 991.3339 16.53732 38.08844       23.50645 
1 1 1 -6  16 2  o 2161.737 23.77219 1101.121       24.17360  1140.797       30.85387  1038.050       38.90131  2199.191 29.82479 2095.572 39.46321 103.6191       49.46578 
1 1 1 -6  16 3  o 1005.302 11.78252 237.8100       5.571907  231.6485       7.606880  244.9429       8.184523  991.9862 16.30165 1020.012 17.05763 -28.02582      23.59463 
1 1 1 -6  16 4  o 412.9380 10.73009 40.12154       2.084287  38.03795       2.851106  42.51328       3.054667  401.9968 15.07722 424.9832 15.27998 -22.98645      21.46626 
1 1 1 -6  16 5  o 594.3373 11.00498 83.11673       3.076746  87.67054       3.475491  66.61713       6.615543  610.3745 12.10460 531.5503 26.45768 78.82422       29.09520 
1 1 1 -6  16 6  o 1358.657 14.30615 434.4915       9.143277  426.9615       10.12986  467.5981       21.24043  1346.708 15.99045 1407.367 32.08386 -60.65942      35.84785 
1 1 1 -6  16 7  o 1391.921 14.61245 456.0590       9.567681  452.6964       10.68364  469.6790       21.50183  1386.635 16.37901 1410.310 32.41095 -23.67432      36.31448 
1 1 1 -6  16 8  o 691.7093 10.40806 112.5838       3.386592  109.9287       3.618814  131.3020       9.608634  683.4791 11.25568 746.0397 27.37981 -62.56061      29.60311 
1 1 1 -6  16 9  o 505.6911 12.26880 60.18536       2.918478  61.97953       3.484642  55.96992       5.341311  513.1094 14.43706 487.2495 23.30382 25.85995       27.41344 
1 1 1 -6  16 10 o 199.8006 22.13366 9.525409       2.045318  10.98697       2.419470  5.865351       3.828744  214.4600 24.41843 156.7455 47.67871 57.71458       53.56790 
1 1 1 -6  16 11 o 147.8481 33.28548 5.374244       2.259157  0.7604043      4.487625  6.940462       2.614637  117.8047 49.00508 168.2789 34.19628 -50.47424      59.75687 
1 1 1 -6  16 12 o 1083.825 14.98953 276.6327       7.642168  266.1415       12.39204  283.0714       9.708058  1061.915 24.80752 1095.968 18.83065 -34.05249      31.14493 
1 1 1 -6  16 13 o 289.4763 13.69743 19.73224       1.865182  21.07855       3.394024  19.14972       2.232517  297.8161 24.44240 284.5974 16.74995 13.21869       29.63092 
1 1 1 -6  16 14 o 701.3497 12.05627 115.8141       3.977562  111.8437       5.960093  119.0025       5.340945  688.7462 18.39605 710.6583 15.97673 -21.91211      24.36536 
1 1 1 -6  16 15 o 593.5403 19.10938 83.11256       5.335390  83.11256       5.335390  0.000000       0.000000  593.5403 19.10938 ?        ?        0.000000       19.10938 
1 1 1 -6  16 16 o 600.0488 23.79645 85.16656       6.716887  72.62189       8.488016  106.1831       10.98645  551.7438 32.85261 666.8986 35.14505 -115.1548      48.10892 
1 1 1 -6  16 17 o 244.8763 18.69433 14.24408       2.137136  8.570203       3.603868  17.32164       2.654188  185.3520 42.27042 269.8546 21.07620 -84.50258      47.23341 
1 1 1 -6  16 18 o 210.3839 23.32480 10.61661       2.269491  24.77111       5.258471  7.376570       2.515867  319.7986 35.55737 173.1804 32.06388 146.6182       47.87922 
1 1 1 -6  16 19 o 555.5158 14.38861 72.83594       3.759971  64.79533       5.577443  79.53423       5.090640  522.6073 22.68769 579.8098 18.66455 -57.20245      29.37851 
1 1 1 -6  16 20 o 482.8838 15.29975 55.09977       3.475331  55.79549       5.369422  54.59818       4.559114  484.3792 23.56529 479.8527 20.19776 4.526520       31.03663 
1 1 1 -6  16 21 o 231.6880 25.57029 12.96749       2.740386  11.25370       4.124278  14.32224       3.666898  210.7251 43.06100 241.5949 33.13889 -30.86981      54.33632 
1 1 1 -6  16 22 o 296.3455 28.25391 21.28858       3.890935  22.60618       4.553951  17.72592       7.488304  304.0988 32.33083 256.3633 62.63065 47.73553       70.48319 
1 1 1 -6  16 23 o 226.6793 25.92361 12.49454       2.714537  12.82066       4.343680  12.28555       3.477173  223.8054 42.81902 222.0736 34.39819 1.731873       54.92453 
1 1 1 -6  16 24 o 641.8467 17.56491 97.98038       5.303303  85.16647       9.050055  104.6818       6.544755  589.5649 32.76168 661.8506 21.02152 -72.28571      38.92598 
1 1 1 -6  16 25 o 98.40699 40.58392 1.013430       3.040228  1.437872       6.403109  0.8898941      3.454448  134.0572 57.28437 102.4355 42.83567 31.62178       71.52897 
1 1 1 -6  16 26 o 315.0887 22.34107 23.98104       3.289889  21.31816       4.877295  26.20411       4.456359  290.7199 36.46679 326.4216 29.33557 -35.70169      46.80174 
1 1 1 -6  16 27 f 313.8422 23.15161 23.90889       3.393787  21.42269       5.021831  25.99892       4.604375  289.7003 37.74721 323.7010 30.60125 -34.00064      48.59309 
1 1 1 -6  16 28 o 219.6622 37.27043 12.51312       3.713482  11.52340       4.291866  15.46076       7.406774  206.1595 45.47692 224.8594 65.82142 -18.69995      80.00381 
1 1 1 -6  16 29 o 272.0958 28.03617 18.49490       3.537085  16.51903       5.640348  19.77557       4.540921  241.4814 51.24041 276.6257 35.73174 -35.14430      62.46869 
1 1 1 -6  16 30 o 238.6904 31.46728 14.63877       3.447029  13.59096       5.649514  15.26018       4.350722  211.4378 55.93663 237.6792 40.35683 -26.24141      68.97521 
1 1 1 -6  16 31 o 136.2910 48.07683 5.278859       3.837144  0.000000       0.000000  5.278859       3.837144  ?        ?        136.2910 48.07683 0.000000       48.07683 
1 1 1 -6  16 32 o 124.4228 45.87022 4.355542       3.539605  2.964626       4.795933  6.019620       5.245773  118.5058 50.06462 140.1179 54.82453 -21.61211      74.24416 
1 1 1 -6  18 1  f 1224.773 18.58302 353.2735       10.70634  353.2735       10.70634  0.000000       0.000000  1224.773 18.58302 ?        ?        0.000000       18.58302 
1 1 1 -6  18 2  o 1162.566 12.88271 318.0887       7.045213  332.4387       10.28412  305.3987       9.670990  1188.111 18.40098 1138.794 18.05329 49.31665       25.77823 
1 1 1 -6  18 3  f 1013.641 12.00263 241.7968       5.723082  241.9641       8.025760  241.6236       8.163313  1013.718 16.83061 1012.984 17.13147 0.7335815      24.01575 
1 1 1 -6  18 4  o 511.2840 10.46874 61.51119       2.517827  64.32024       3.659465  58.98605       3.469605  522.7113 14.88286 500.5720 14.73480 22.13934       20.94311 
1 1 1 -6  18 5  f 366.7159 14.60237 31.65801       2.518966  30.69793       2.827989  35.34483       5.541809  361.0645 16.65036 385.6767 30.80331 -24.61218      35.01540 
1 1 1 -6  18 6  o 1076.773 12.55881 272.8889       6.361239  274.1896       7.112249  267.6873       14.22283  1079.245 14.00933 1064.959 28.39119 14.28638       31.65945 
1 1 1 -6  18 7  o 980.5099 14.65139 226.3461       6.757718  225.9304       7.884104  227.4970       13.11932  979.4329 17.11230 981.6609 28.41060 -2.227966      33.16615 
1 1 1 -6  18 8  o 722.1724 11.71151 122.7481       3.978534  122.7481       3.978534  0.000000       0.000000  722.1724 11.71151 ?        ?        0.000000       11.71151 
1 1 1 -6  18 9  o 656.2974 10.89065 101.3714       3.362200  100.2860       3.591493  109.0666       9.563045  652.7427 11.69671 679.3466 29.92509 -26.60388      32.12980 
1 1 1 -6  18 10 o 693.7269 19.62451 113.4471       6.404079  105.8264       8.357378  124.2866       9.967306  669.3985 26.54092 725.1217 29.22117 -55.72321      39.47528 
1 1 1 -6  18 11 o 525.8153 15.79546 65.13448       3.906922  67.89537       5.286320  61.81123       5.799747  536.5136 20.94611 511.6751 24.09603 24.83847       31.92739 
1 1 1 -6  18 12 o 427.6089 18.05031 43.10955       3.630787  41.67658       6.190313  43.86104       4.482843  418.2272 31.70095 430.4876 22.21296 -12.26041      38.70872 
1 1 1 -6  18 13 o 182.9199 22.37761 8.019788       1.885349  4.773048       2.989343  10.16424       2.429464  140.5651 41.98948 205.7411 25.66052 -65.17601      49.20954 
1 1 1 -6  18 14 o 460.0305 12.68629 49.85415       2.745306  52.60320       4.271302  47.91915       3.583526  472.0583 19.23514 450.7379 16.90119 21.32034       25.60548 
1 1 1 -6  18 15 o 324.2143 13.64483 24.77590       2.080987  21.40557       3.738904  26.28853       2.504811  299.2719 26.84423 333.8345 15.95051 -34.56253      31.22549 
1 1 1 -6  18 16 o 561.9478 17.32107 74.57083       4.578676  72.11726       5.182772  83.29370       9.772190  552.2657 19.95009 589.1643 35.42495 -36.89862      40.65628 
1 1 1 -6  18 17 o 204.6833 19.12896 9.994686       1.820449  2.656994       3.508529  12.69790       2.129538  120.4971 45.42076 230.8170 19.80501 -110.3199      49.55083 
1 1 1 -6  18 18 o 668.1508 13.15874 105.3272       4.135788  98.58846       6.242139  110.6001       5.521677  644.9771 20.57405 683.9261 17.16297 -38.94904      26.79290 
1 1 1 -6  18 19 o 585.4742 13.58569 80.93333       3.741614  81.25848       5.935463  80.71893       4.819900  584.9417 21.57112 583.9490 17.54663 0.9927368      27.80643 
1 1 1 -6  18 20 o 297.2344 18.10436 21.02020       2.519280  21.31613       4.194017  20.85315       3.151124  296.2604 30.53197 295.0413 22.88360 1.219116       38.15574 
1 1 1 -6  18 21 o 118.9863 34.91356 3.510644       2.081712  6.594842       3.887047  2.270301       2.465015  160.7869 47.84708 105.1619 38.35304 55.62502       61.32127 
1 1 1 -6  18 22 f 536.0598 15.19476 68.07713       3.831567  61.36805       5.798170  73.27808       5.105070  506.1120 24.35426 554.8502 19.55945 -48.73819      31.23623 
1 1 1 -6  18 23 o 563.4177 21.13308 75.81963       5.600960  86.69473       6.833893  53.56719       9.775536  601.0589 24.17029 458.9668 45.89349 142.0921       51.86921 
1 1 1 -6  18 24 f 269.5484 21.62757 17.49836       2.719199  16.33644       4.362372  18.23669       3.477421  254.5219 37.56492 273.3207 27.41631 -18.79886      46.50567 
1 1 1 -6  18 25 o 110.4138 38.28346 2.827866       2.427258  4.384740       3.883907  1.830117       3.109228  135.8622 48.32120 106.0880 41.99029 29.77416       64.01659 
1 1 1 -6  18 26 f 212.1640 38.01020 11.59080       3.654181  10.11593       6.584088  12.24733       4.392842  189.1335 63.10278 214.8284 44.91495 -25.69490      77.45524 
1 1 1 -6  18 27 o 173.1988 34.69075 7.744174       2.727829  7.965967       4.181984  7.579924       3.598827  170.1792 49.35703 167.4503 44.80748 2.728821       66.66203 
1 1 1 -6  18 28 f 137.0758 39.18283 5.000285       2.653094  11.37387       4.031495  0.1312950      3.523657  205.0816 43.15616 95.78687 41.71864 109.2948       60.02415 
1 1 1 -6  18 29 o 197.3042 46.04778 10.93771       4.195868  7.024377       5.155870  18.61177       7.220068  156.3223 55.66611 243.1704 62.71175 -86.84816      83.85391 
1 1 1 -6  18 30 o 83.89136 36.96053 -0.1005552     2.837483  4.363853       4.406733  -3.262448      3.708586  130.4782 50.47075 78.77023 37.34164 51.70797       62.78292 
1 1 1 -6  18 31 o 160.8456 45.36292 7.697896       3.580813  4.842450       4.641383  11.89655       5.628148  131.9715 51.58821 188.1657 57.91354 -56.19420      77.55850 
1 1 1 -6  20 1  o 813.5073 12.37232 155.7686       4.734583  152.6919       5.630177  163.1986       8.749201  805.3025 14.86257 831.9939 22.35522 -26.69141      26.84496 
1 1 1 -6  20 2  o 1158.853 15.07620 316.2103       8.218442  318.7812       9.936213  310.6421       14.62291  1163.265 18.15821 1147.192 27.09744 16.07288       32.61889 
1 1 1 -6  20 3  o 893.4265 13.23575 187.9046       5.562586  192.2117       9.362335  185.5545       6.915562  902.9073 22.04305 887.6024 16.56303 15.30499       27.57227 
1 1 1 -6  20 4  o 137.9469 25.42914 4.632546       1.589314  8.726571       2.431147  1.577146       2.100245  190.2229 28.00762 94.24750 35.21717 95.97542       44.99640 
1 1 1 -6  20 5  f 656.7338 11.48487 101.5149       3.548007  101.6338       3.944311  101.0107       8.121443  657.0629 12.76130 654.0970 26.39500 2.965881       29.31803 
1 1 1 -6  20 6  o 369.5297 11.19925 32.14051       1.946738  32.72354       2.071959  27.74970       5.686008  372.8511 11.81344 340.3448 36.06509 32.50629       37.95060 
1 1 1 -6  20 7  o 782.5870 11.71525 144.1699       4.312741  144.1699       4.312741  0.000000       0.000000  782.5870 11.71525 ?        ?        0.000000       11.71525 
1 1 1 -6  20 8  o 679.5934 10.66742 108.7105       3.410185  105.7938       3.634535  130.1724       9.858978  670.3713 11.52562 741.9447 28.24822 -71.57336      30.50904 
1 1 1 -6  20 9  o 447.8787 10.96191 47.22247       2.309489  46.89279       2.444109  49.97028       7.056188  446.2870 11.64225 457.9222 32.97816 -11.63519      34.97286 
1 1 1 -6  20 10 o 191.4101 18.90568 8.726306       1.680017  8.878246       1.772958  7.390013       5.257898  192.9686 19.81301 176.3652 56.22417 16.60339       59.61303 
1 1 1 -6  20 11 o 572.1715 11.46077 77.09398       3.084674  76.89240       3.301683  78.47801       8.651266  571.3713 12.28422 574.0122 32.16934 -2.640869      34.43499 
1 1 1 -6  20 12 o 347.9827 17.13865 28.56824       2.805457  27.66376       3.350973  30.68790       5.129871  341.5376 20.95884 358.1719 30.74511 -16.63428      37.20934 
1 1 1 -6  20 13 o 769.4419 16.82426 139.7136       6.089493  150.8621       10.99115  134.7758       7.314770  796.8550 29.32206 755.0969 20.59343 41.75812       35.83117 
1 1 1 -6  20 14 f 293.3147 18.40242 20.40533       2.526227  20.33931       3.603203  20.46916       3.542811  291.5281 26.56642 292.5657 26.01418 -1.037628      37.18215 
1 1 1 -6  20 15 o 107.2040 31.80688 2.783662       1.719618  0.9555407      3.108044  3.590171       2.064378  100.8962 41.25424 120.9698 34.55775 -20.07362      53.81590 
1 1 1 -6  20 16 o 219.7333 16.75458 11.47632       1.718752  11.56325       3.353808  11.44536       2.001573  217.1513 33.94386 219.0082 19.63719 -1.856918      39.21486 
1 1 1 -6  20 17 o 485.7209 21.67743 56.00004       4.952950  52.40785       5.903819  64.53627       9.100945  467.9867 26.93188 515.3956 37.80216 -47.40884      46.41476 
1 1 1 -6  20 18 o 164.2406 22.75559 6.535196       1.710842  3.358118       3.581001  7.474838       1.947474  126.9207 46.23607 175.5401 24.23040 -48.61948      52.20045 
1 1 1 -6  20 19 o 92.61385 31.21132 1.943401       1.610848  2.159258       3.393967  1.880638       1.830113  113.7320 44.20935 93.88580 33.19344 19.84618       55.28355 
1 1 1 -6  20 20 o 632.0019 15.22495 94.55361       4.526302  96.37337       10.13441  94.10016       5.058903  628.9709 34.38323 629.9636 17.07150 -0.9927368     38.38805 
1 1 1 -6  20 21 o 369.8137 15.77416 32.41140       2.744090  33.15086       4.622785  32.00908       3.409826  370.5123 26.70255 366.1824 19.86984 4.329865       33.28418 
1 1 1 -6  20 22 o 458.2910 14.68554 49.75373       3.165924  46.00377       4.946285  52.35617       4.120557  437.4156 24.13231 469.0947 18.67352 -31.67911      30.51342 
1 1 1 -6  20 23 o 180.3562 26.76948 8.006974       2.202200  7.165504       3.949941  8.386507       2.652746  165.3952 47.96776 183.0549 31.97012 -17.65964      57.64542 
1 1 1 -6  20 24 o 198.7848 26.52930 9.714439       2.418810  6.981472       3.891533  11.43498       3.087703  162.6617 47.73773 214.1463 31.60141 -51.48463      57.24980 
1 1 1 -6  20 25 o 303.4710 21.05594 22.20659       2.987211  18.33689       4.232775  26.04638       4.216382  270.2484 34.05206 325.9269 27.76582 -55.67856      43.93727 
1 1 1 -6  20 26 f 148.2240 36.13058 5.728990       2.496313  3.890268       3.707337  7.254145       3.376456  128.6396 47.01680 164.6140 43.09746 -35.97438      63.78064 
1 1 1 -6  20 27 o 342.4814 19.53629 28.32574       3.134331  22.30619       4.342398  34.87287       4.528696  297.5809 31.49984 376.6341 25.71506 -79.05322      40.66330 
1 1 1 -6  20 28 o 183.0282 34.43666 8.770185       2.856076  7.657551       4.569633  9.483456       3.658751  162.7903 52.47013 185.8065 42.74932 -23.01625      67.68027 
1 1 1 -6  20 29 o 181.3196 34.97886 8.751516       2.875350  10.01784       4.404191  7.810802       3.795977  184.1986 49.68637 164.2534 46.83981 19.94519       68.28399 
1 1 1 -6  22 1  o 622.7988 10.47248 91.29943       3.068080  97.17233       4.248132  84.89620       4.435790  642.3201 14.05974 600.2744 15.70912 42.04572       21.08204 
1 1 1 -6  22 2  o 244.6556 17.48520 14.18056       1.999051  14.65244       2.235226  12.29489       4.468264  248.5240 19.27049 223.3230 44.09882 25.20099       48.12544 
1 1 1 -6  22 3  o 1114.801 12.81740 292.6564       6.721508  289.8558       9.302031  295.7164       9.723248  1108.829 17.83379 1119.890 18.45723 -11.06079      25.66542 
1 1 1 -6  22 4  o 342.1708 14.29150 27.58051       2.300329  32.25327       4.207145  25.58785       2.747369  368.6774 24.39684 328.9570 17.82098 39.72034       30.21246 
1 1 1 -6  22 5  o 510.0179 12.07014 61.25159       2.895790  59.93046       3.167177  67.98455       7.149930  504.4220 13.34778 535.1458 28.50549 -30.72379      31.47581 
1 1 1 -6  22 6  o 230.4343 15.11647 12.56689       1.629494  12.40184       1.715652  14.08740       5.207482  228.8193 16.04065 238.3189 48.10938 -9.499680      50.71307 
1 1 1 -6  22 7  o 107.0938 24.23380 2.819417       1.192333  2.819417       1.192333  0.000000       0.000000  107.0938 24.23380 ?        ?        0.000000       24.23380 
1 1 1 -6  22 8  o 124.4091 24.31620 3.786629       1.372029  3.954997       1.422818  1.553805       5.181407  127.1559 24.67727 129.8826 53.20431 -2.726677      58.64867 
1 1 1 -6  22 9  o 230.9008 17.77769 12.65572       1.916098  12.62099       2.033373  12.93104       5.724836  230.4415 18.92517 226.5668 54.40162 3.874664       57.59947 
1 1 1 -6  22 10 o 593.4083 12.47006 82.97131       3.480899  82.52398       3.773678  85.52319       9.013218  591.7097 13.55773 598.6085 32.12605 -6.898743      34.86969 
1 1 1 -6  22 11 o 317.6891 13.63664 23.79405       2.037883  23.58517       2.137345  25.88288       6.759036  316.2507 14.36726 324.5889 45.51876 -8.338196      47.73234 
1 1 1 -6  22 12 o 478.1694 12.20738 53.89001       2.745830  52.38578       2.909904  66.11178       8.294457  471.3722 13.12337 524.9666 33.76738 -53.59439      36.22787 
1 1 1 -6  22 13 o 852.6530 13.76446 171.4973       5.520783  171.4973       5.520783  0.000000       0.000000  852.6530 13.76446 ?        ?        0.000000       13.76446 
1 1 1 -6  22 14 o 374.2437 24.20998 33.40895       4.239213  39.50654       6.825764  29.58020       5.408798  403.7539 36.32789 349.8248 33.26917 53.92911       49.26006 
1 1 1 -6  22 15 o 829.6029 14.05847 162.4884       5.486277  171.5919       7.700362  153.1035       7.818521  851.1263 19.23303 803.5236 20.68505 47.60272       28.24502 
1 1 1 -6  22 16 f 419.7856 16.88461 41.69833       3.334171  35.87991       5.119845  45.98298       4.393514  386.2969 28.37370 440.0571 21.22431 -53.76022      35.43357 
1 1 1 -6  22 17 o 249.8032 17.94269 14.86184       2.094363  18.80173       3.649823  12.92764       2.557292  278.8060 28.21774 231.7457 23.79625 47.06029       36.91208 
1 1 1 -6  22 18 o 172.4636 38.26596 7.520612       3.023254  6.196053       3.403175  12.47919       6.584568  156.2091 44.28236 216.6419 61.65945 -60.43277      75.91322 
1 1 1 -6  22 19 o 232.2369 17.03370 12.85324       1.847862  16.63497       3.761417  11.65020       2.121520  260.7531 31.29059 220.3286 20.71262 40.42455       37.52484 
1 1 1 -6  22 20 o 135.4571 25.72911 4.538651       1.579493  2.051530       3.425244  5.210354       1.780049  112.5855 44.22765 145.0564 27.08314 -32.47089      51.86118 
1 1 1 -6  22 21 o 196.1036 22.43808 9.306469       2.032602  6.652795       6.158019  9.630934       2.153283  167.0790 60.66724 199.2926 23.41516 -32.21367      65.02911 
1 1 1 -6  22 22 o 98.18848 32.79123 2.250318       1.777896  2.108799       4.434609  2.277420       1.940689  122.0052 49.50930 99.88404 34.25463 22.12120       60.20424 
1 1 1 -6  22 23 o 155.6451 45.65213 6.335802       3.559840  6.335802       3.559840  0.000000       0.000000  155.6451 45.65213 ?        ?        0.000000       45.65213 
1 1 1 -6  22 24 o 199.3884 25.74017 9.779179       2.357871  7.320060       3.505684  11.81054       3.186226  166.0963 44.12159 216.9522 32.19765 -50.85585      54.62054 
1 1 1 -6  22 25 o 228.1130 23.15929 12.70359       2.450647  9.057970       3.715534  15.51073       3.260378  183.9443 43.60471 250.2089 28.19236 -66.26462      51.92474 
1 1 1 -6  22 26 o 224.5337 22.93569 12.35434       2.388484  11.94403       3.487834  12.71668       3.277611  214.8478 35.76843 223.7414 32.05785 -8.893616      48.03214 
1 1 1 -6  22 27 o 147.2070 37.27181 5.803435       2.583503  3.082640       4.071194  7.637745       3.342799  121.3409 48.04211 166.6854 42.50208 -45.34447      64.14415 
1 1 1 -6  22 28 o 169.0343 35.85846 7.659476       2.762906  6.611178       4.612209  8.246209       3.450537  150.7743 52.74442 171.4040 42.89740 -20.62967      67.98647 
1 1 1 -6  24 1  o 489.4463 10.71634 56.40928       2.467293  53.88892       3.195734  60.12857       3.882127  478.1784 14.20729 504.9384 16.34414 -26.76004      21.65590 
1 1 1 -6  24 2  o 336.9034 12.02689 26.73570       1.906023  23.56900       2.411068  32.01215       3.112268  315.7109 16.29046 368.3181 17.96324 -52.60724      24.24989 
1 1 1 -6  24 3  o 486.0296 11.25563 55.63393       2.573368  54.63073       3.523380  56.78093       3.767452  481.3374 15.56111 490.6563 16.32304 -9.318848      22.55194 
1 1 1 -6  24 4  o 366.3510 12.02902 31.61645       2.072989  32.92366       2.939279  30.32272       2.924079  373.5757 16.72603 358.4756 17.34044 15.10010       24.09255 
1 1 1 -6  24 5  o 757.5156 11.91351 135.1810       4.245224  133.7343       4.688436  141.7658       10.00250  753.3110 13.23075 773.0801 27.50520 -19.76917      30.52193 
1 1 1 -6  24 6  o 86.82170 30.19751 1.605338       1.510771  1.605338       1.510771  0.000000       0.000000  86.82170 30.19751 ?        ?        0.000000       30.19751 
1 1 1 -6  24 7  o 442.3133 11.60744 46.09232       2.415104  46.03765       2.587277  46.46254       6.732994  441.9955 12.44388 440.3580 32.73780 1.637512       35.02304 
1 1 1 -6  24 8  o 485.3824 10.05485 55.48678       2.295773  54.43576       2.404563  66.31986       7.719803  480.7253 10.63334 526.7034 31.29882 -45.97803      33.05577 
1 1 1 -6  24 9  o 158.1939 19.76352 6.009200       1.438608  6.137861       1.495409  4.411416       5.269813  159.8074 20.35479 150.0282 55.83917 9.779266       59.43341 
1 1 1 -6  24 10 o 569.6142 10.97407 76.45380       2.940477  76.86338       3.153195  73.72176       8.143810  571.0624 11.73810 554.8693 31.32903 16.19312       33.45581 
1 1 1 -6  24 11 o 372.4030 16.11551 32.75845       2.823101  33.60387       3.115801  28.88229       6.671627  377.0263 17.56826 343.0666 42.23309 33.95972       45.74142 
1 1 1 -6  24 12 o 523.8104 16.59202 64.85074       4.088300  64.85074       4.088300  0.000000       0.000000  523.8104 16.59202 ?        ?        0.000000       16.59202 
1 1 1 -6  24 13 o 353.1772 13.53395 29.44106       2.248468  30.48657       2.384988  21.08502       6.742512  359.3387 14.10954 288.3727 51.59922 70.96606       53.49354 
1 1 1 -6  24 14 o 400.1034 13.13463 37.78614       2.472062  37.36925       2.608245  41.46849       7.751771  397.8008 13.93842 411.1387 40.61229 -13.33792      42.93760 
1 1 1 -6  24 15 o 167.7844 34.32711 7.026425       2.617991  6.346611       2.842371  10.82937       6.722732  158.6245 38.48507 204.4263 63.35767 -45.80183      74.13026 
1 1 1 -6  24 16 o 250.4008 26.64047 15.15351       3.089763  15.70749       3.386847  12.40488       7.544103  254.4217 28.80666 216.7204 67.10815 37.70135       73.02964 
1 1 1 -6  24 17 o 167.0962 32.13731 6.949111       2.434340  8.251372       3.156281  5.037065       3.824510  180.8263 38.29802 144.6822 48.08525 36.14409       61.47300 
1 1 1 -6  24 18 o 295.6311 19.84291 20.86668       2.743465  22.63766       3.655271  18.58205       4.151650  306.5099 25.58550 275.3421 32.69256 31.16782       41.51411 
1 1 1 -6  24 19 o 342.2049 22.46035 28.07057       3.595464  31.38947       4.083183  16.61415       7.586234  361.4295 24.15539 246.3561 64.64949 115.0734       69.01478 
1 1 1 -6  24 20 o 293.2762 15.37093 20.44136       2.113159  19.86747       3.825770  20.69332       2.534940  285.4127 28.89360 294.4292 18.39497 -9.016510      34.25222 
1 1 1 -6  24 21 o 375.4848 14.97055 33.43295       2.644231  34.06659       5.525336  33.24471       3.011473  372.5187 31.83704 373.9582 17.11932 -1.439545      36.14787 
1 1 1 -6  24 22 o 220.6929 21.91871 11.78983       2.245376  14.87812       6.293332  11.33936       2.403564  231.8465 57.88288 215.7626 24.09293 16.08389       62.69687 
1 1 1 -6  24 23 o 429.2148 14.32121 43.74688       2.891504  32.10989       4.314784  53.23294       3.895668  363.2182 25.41367 472.3476 17.53278 -109.1295      30.87480 
1 1 1 -6  24 24 o 189.3879 38.79794 9.385027       3.340225  9.385027       3.340225  0.000000       0.000000  189.3879 38.79794 ?        ?        0.000000       38.79794 
1 1 1 -6  24 25 o 210.9240 30.04764 11.22859       2.897019  12.04376       3.374074  8.941737       5.651321  216.4679 34.27716 175.6390 58.45568 40.82890       67.76423 
1 1 1 -6  24 26 o 203.8501 24.73439 10.33055       2.323243  4.071875       3.180937  17.48617       3.401240  125.7487 43.81310 264.2191 27.78164 -138.4704      51.87877 
1 1 1 -6  26 1  o 221.0812 14.56215 11.57825       1.505942  12.17016       1.864814  10.46855       2.553350  226.3206 17.65596 208.3313 26.66673 17.98938       31.98199 
1 1 1 -6  26 2  o 638.7437 10.72824 96.11084       3.223475  101.6935       4.480033  90.11824       4.641623  656.6077 14.50461 617.9230 15.96858 38.68463       21.57265 
1 1 1 -6  26 3  o 644.4376 16.79722 98.06157       5.091990  99.94055       6.835858  95.71939       7.632077  649.6028 22.37051 635.0700 25.54770 14.53278       33.95769 
1 1 1 -6  26 4  o 330.1752 13.09321 25.70325       2.033573  22.25077       2.801116  29.55077       2.957026  306.1300 19.55371 353.2103 17.85517 -47.08023      26.47932 
1 1 1 -6  26 5  o 234.2556 17.69386 13.03909       1.935381  13.24072       2.102996  11.92331       4.947032  235.8700 19.11829 217.1854 49.52122 18.68459       53.08352 
1 1 1 -6  26 6  o 672.9222 12.54492 106.7608       3.971020  103.4834       4.359253  122.7408       9.625817  662.3193 13.99186 717.9554 28.50171 -55.63611      31.75089 
1 1 1 -6  26 7  o 400.1718 9.970214 37.72407       1.876810  36.93320       1.952354  47.35434       6.812801  395.9219 10.48286 443.7513 32.87128 -47.82941      34.50234 
1 1 1 -6  26 8  o 301.2998 11.22140 21.39662       1.590433  21.90456       1.652317  14.99405       5.866258  304.8379 11.52272 242.6097 52.89425 62.22815       54.13479 
1 1 1 -6  26 9  f 237.3688 14.51965 13.35004       1.613451  12.92751       1.679396  18.41558       5.814786  233.4625 15.37818 271.0826 47.32145 -37.62004      49.75749 
1 1 1 -6  26 10 f 841.3642 11.77253 166.9183       4.659326  168.3394       5.067910  159.1558       11.84449  844.7533 12.75351 815.5459 30.87442 29.20740       33.40482 
1 1 1 -6  26 11 o 897.8481 12.20372 190.1419       5.154236  191.2989       5.602612  183.7693       13.14894  900.3523 13.22845 875.4514 31.92931 24.90094       34.56114 
1 1 1 -6  26 12 o 448.7017 11.33586 47.47536       2.392663  46.97004       2.512238  52.40785       7.848869  446.2418 11.96799 464.7021 36.19109 -18.46033      38.11860 
1 1 1 -6  26 13 o 287.1577 14.27720 19.47786       1.928559  19.21628       2.010847  22.47919       6.811280  284.7617 15.06523 297.8116 50.41956 -13.04993      52.62217 
1 1 1 -6  26 14 o 420.6111 16.36545 41.85921       3.238009  41.69679       3.589714  42.56837       7.500858  419.5007 18.19105 416.9071 38.68835 2.593567       42.75164 
1 1 1 -6  26 15 o 446.2525 13.09949 47.03040       2.749821  47.66119       2.917253  42.00357       8.235294  449.1332 13.80796 411.5734 43.17991 37.55984       45.33393 
1 1 1 -6  26 16 o 379.1413 13.91326 33.97861       2.481415  34.46354       2.630237  30.05351       7.483091  381.7345 14.64752 344.9810 47.36207 36.75345       49.57535 
1 1 1 -6  26 17 o 400.5471 18.72926 38.10721       3.528934  38.10721       3.528934  0.000000       0.000000  400.5471 18.72926 ?        ?        0.000000       18.72926 
1 1 1 -6  26 18 o 401.1457 21.14474 38.47216       3.975913  38.47216       3.975913  0.000000       0.000000  401.1457 21.14474 ?        ?        0.000000       21.14474 
1 1 1 -6  26 19 o 292.6155 19.68977 20.49394       2.694472  25.01255       3.654086  15.10902       3.989023  322.0110 24.30246 246.0198 35.49579 75.99117       43.01814 
1 1 1 -6  26 20 o 194.8502 32.42112 9.504053       2.867233  11.51303       3.243168  2.314209       6.135375  214.5828 33.20173 137.1374 57.19466 77.44547       66.13308 
1 1 1 -6  26 21 o 105.9039 44.45329 0.9542962      3.741926  1.222057       5.334928  0.6950060      5.249864  123.3702 52.49199 119.6228 51.50920 3.747429       73.54324 
1 1 1 -6  26 22 o 93.96629 41.69344 -0.6704615     3.673736  -8.635553      5.249150  6.976814       5.143361  83.04996 40.58893 162.1973 55.75732 -79.14736      68.96622 
1 1 1 -6  26 23 o 360.8453 44.17558 34.27468       7.341873  34.27468       7.341873  0.000000       0.000000  360.8453 44.17558 ?        ?        0.000000       44.17558 
1 1 1 -6  28 1  o 734.4294 11.22332 127.1141       3.877401  134.4633       5.423827  119.4325       5.545131  754.7296 15.27725 711.0673 16.57799 43.66235       22.54382 
1 1 1 -6  28 2  o 905.0109 11.94458 193.0741       5.085037  201.5995       7.273705  184.9243       7.111689  923.7761 16.73862 884.6644 17.08933 39.11169       23.92126 
1 1 1 -6  28 3  o 624.0894 13.43926 91.87244       3.945402  95.21065       4.619865  82.87753       7.583522  635.0300 15.46557 590.0959 27.31990 44.93402       31.39364 
1 1 1 -6  28 4  o 627.6128 11.17756 92.83343       3.299956  88.59569       4.477379  97.87292       4.882591  612.5417 15.53885 643.7177 16.12448 -31.17596      22.39318 
1 1 1 -6  28 5  o 242.3389 18.88857 13.97740       2.136229  13.97740       2.136229  0.000000       0.000000  242.3389 18.88857 ?        ?        0.000000       18.88857 
1 1 1 -6  28 6  o 140.9109 20.04245 4.794309       1.291068  4.783815       1.333221  4.952438       5.175293  140.6186 20.78142 153.0022 55.60697 -12.38367      59.36331 
1 1 1 -6  28 7  o 159.8871 14.10756 6.080133       1.050168  6.358982       1.071707  -0.6486326     5.264520  163.5453 14.06747 116.5645 50.87428 46.98080       52.78339 
1 1 1 -6  28 8  o 132.9070 18.95119 4.264332       1.151268  4.591862       1.181854  -1.818966      5.093401  138.0576 18.67797 108.5761 48.57317 29.48151       52.04056 
1 1 1 -6  28 9  o 518.1713 21.31847 63.69442       5.196352  64.29846       6.792129  62.84186       8.069309  518.3159 27.96094 510.3680 33.80255 7.947937       43.86828 
1 1 1 -6  28 10 o 514.8351 22.16103 62.94781       5.366948  62.27706       6.945685  63.94174       8.454969  509.5241 29.09955 514.0236 35.17859 -4.499542      45.65432 
1 1 1 -6  28 11 o 104.2648 46.25436 -1.225327      4.519421  -1.225327      4.519421  0.000000       0.000000  104.2648 46.25436 ?        ?        0.000000       46.25436 
1 1 1 -6  28 12 o 360.6758 27.61617 31.28547       4.649832  31.15339       6.237711  31.45066       6.975718  356.5517 37.76550 356.4295 42.43938 0.1221619      56.80964 
1 1 1 -6  28 13 o 181.4249 46.92000 8.442122       4.034185  10.86207       5.448415  5.505351       6.002085  204.0703 55.35477 160.4872 59.62014 43.58304       81.35546 
1 1 1 -6  28 14 o 206.3011 16.41920 10.14137       1.580205  9.936974       1.629043  13.39774       6.502265  204.0810 17.12757 224.4643 60.29836 -20.38338      62.68370 
1 1 1 -6  28 15 o 245.4646 16.00682 14.33111       1.838145  14.57430       1.924080  11.78954       6.220099  247.4397 16.62699 210.3517 59.94936 37.08804       62.21240 
1 1 1 -6  28 16 o 115.0347 45.16581 2.171066       3.570318  -1.364744      4.577478  7.663496       5.705110  103.1797 46.11120 174.1494 58.73746 -70.96969      74.67484 
1 1 1 -6  28 17 o 163.3816 46.45302 6.923865       3.739263  5.273484       4.846207  9.351963       5.878182  150.2396 53.91863 187.6895 59.40731 -37.44984      80.22747 
1 1 1 -6  28 18 o 273.7007 32.96562 18.55116       4.158925  14.80381       5.715702  22.76754       6.062852  235.1578 52.94558 297.8502 44.64811 -62.69234      69.25813 
1 1 1 -6  28 19 o 209.5230 42.02051 11.39288       3.997427  10.94530       5.733313  11.81629       5.576383  199.2138 57.79483 207.4416 55.88903 -8.227798      80.39793 
1 1 1 -6  28 20 o 302.0084 31.78327 22.65683       4.447534  21.66766       6.636800  23.46314       5.992028  283.6408 51.64440 300.6766 43.63955 -17.03586      67.61327 
1 1 1 -6  28 21 o 168.4515 46.21227 7.664907       3.772200  7.604043       5.855504  7.708086       4.931981  167.8153 59.36930 167.7270 54.55083 0.8828735E-01  80.62572 
1 1 1 -6  30 1  o 126.1893 25.62569 3.921824       1.469210  7.458259       1.889576  -1.484770      2.336379  175.7312 23.44306 69.98016 31.94143 105.7511       39.62111 
1 1 1 -6  30 2  o 252.1835 15.37265 15.07509       1.814914  16.67886       2.478421  13.22065       2.665085  264.6193 20.05979 234.6183 24.50975 30.00104       31.67212 
1 1 1 -6  30 3  o 176.4348 24.34486 7.533772       1.966688  7.411746       2.168112  8.100476       4.672343  174.3494 27.33438 179.1945 52.22782 -4.845108      58.94839 
1 1 1 -6  30 4  o 101.6040 29.37910 2.519339       1.483716  1.384922       1.874015  4.424932       2.428856  88.14299 33.20144 133.5161 37.25698 -45.37314      49.90409 
1 1 1 -6  30 5  o 272.0978 18.90566 17.61272       2.404815  18.90921       2.656268  11.72117       5.662432  281.7663 20.17423 213.2161 55.80626 68.55016       59.34086 
1 1 1 -6  30 6  o 187.4580 13.40574 8.335683       1.174325  8.292786       1.203701  9.182522       5.348209  186.9261 13.78654 189.8497 56.03390 -2.923569      57.70499 
1 1 1 -6  30 7  o 387.4920 9.594076 35.38054       1.748780  35.95284       1.818365  28.32937       6.382617  390.5903 9.896695 339.2589 40.81321 51.33139       41.99599 
1 1 1 -6  30 8  o 326.8708 40.40436 26.33472       6.080328  0.000000       0.000000  26.33472       6.080328  ?        ?        326.8708 40.40436 0.000000       40.40436 
1 1 1 -6  30 9  o 332.3600 26.34189 26.53341       4.084635  24.33710       5.394076  29.48573       6.253924  314.9763 37.11847 346.3473 39.06853 -31.37100      53.88999 
1 1 1 -6  30 10 o 221.5754 35.74831 12.16079       3.599213  15.24673       4.974097  8.769323       5.214522  245.6491 44.69213 184.8609 55.51097 60.78813       71.26608 
1 1 1 -6  30 11 o 153.9734 45.74967 5.972275       3.555747  6.441737       4.910594  5.454816       5.155511  162.5649 54.49585 155.2097 55.62215 7.355194       77.86926 
1 1 1 -6  30 12 o 471.8055 23.30562 53.10532       5.172410  55.58859       7.273574  50.56481       7.356924  478.5232 32.50563 455.3447 34.60578 23.17847       47.47816 
1 1 1 -6  30 13 o 258.2337 32.61702 16.38724       3.873742  13.20749       5.417192  19.71463       5.541522  224.3938 52.28952 279.2987 43.60321 -54.90491      68.08401 
1 1 1 -6  30 14 o 405.8061 24.50409 39.58291       4.655695  37.33651       6.565556  41.85494       6.602897  389.1415 36.28545 413.1766 34.28231 -24.03513      49.91904 
1 1 1 -6  30 15 o 261.5754 31.55700 16.84282       3.804518  16.53092       5.581161  17.11356       5.199856  251.7541 48.89039 258.3914 44.37921 -6.637375      66.02866 
1 1 1 -6  30 16 o 250.4123 47.00172 16.34364       5.333200  16.34364       5.333200  0.000000       0.000000  250.4123 47.00172 ?        ?        0.000000       47.00172 
1 1 1 -6  30 17 o 154.4170 45.21366 6.225932       3.494470  -0.2597206     4.751801  13.86445       5.156867  109.7599 48.10727 228.1498 49.47546 -118.3899      69.00819 
1 1 1 -6  32 1  o 336.1784 17.85114 26.83208       2.812846  26.83208       2.812846  0.000000       0.000000  336.1784 17.85114 ?        ?        0.000000       17.85114 
1 1 1 -6  32 2  o 578.3224 24.92343 79.69679       6.780271  0.000000       0.000000  79.69679       6.780271  ?        ?        578.3224 24.92343 0.000000       24.92343 
1 1 1 -6  32 3  o 103.8668 37.39191 2.234207       2.332371  2.447979       2.958509  1.883175       3.791153  112.4811 41.84377 115.9496 46.21695 -3.468506      62.34507 
1 1 1 -6  32 4  o 80.06102 34.92957 -0.3969280     2.479660  1.686683       3.234981  -3.365042      3.861035  108.1265 42.82029 84.77089 39.52217 23.35561       58.27160 
1 1 1 -6  32 5  o 385.1535 21.18978 35.34877       3.824334  40.33889       5.280823  29.84542       5.545748  409.7451 27.55820 350.1095 34.10647 59.63562       43.84866 
1 1 1 -6  32 6  o 257.2606 30.59085 16.11546       3.629410  17.99346       5.450619  14.61950       4.864724  267.1838 44.96455 240.3727 44.66755 26.81114       63.37981 
1 1 1 -6  32 7  o 151.7403 45.33133 5.783313       3.484006  6.076100       5.160291  5.538050       4.722961  160.4495 55.80939 153.7704 53.39747 6.679092       77.23974 
1 1 1 -6  32 8  o 440.6288 22.79430 46.39087       4.708469  49.07848       7.003024  44.17361       6.360775  449.3076 33.37222 426.7445 31.91750 22.56308       46.17826 
1 1 1 -6  32 9  o 179.6494 43.35009 8.272862       3.621388  8.133176       5.304865  8.394769       4.955770  178.1852 56.43985 180.1522 54.12049 -1.967072      78.19517 
1 1 1 -6  32 10 o 210.2213 52.01810 11.60226       5.115983  11.60226       5.115983  0.000000       0.000000  210.2213 52.01810 ?        ?        0.000000       52.01810 
1 1 1 -6  32 11 o 160.9645 44.40949 6.667542       3.472119  6.976814       4.763231  6.316885       5.071930  165.6952 53.58722 160.7183 55.36193 4.976883       77.04890 
1 1 1 -6  32 12 o 132.2906 44.16068 4.226452       3.224487  -0.4271701     4.468223  9.283591       4.657917  106.6557 46.70064 187.5364 51.31212 -80.88071      69.38216 
1 1 1 -6  32 13 o 129.4674 50.51159 3.076695       4.443113  0.000000       0.000000  3.076695       4.443113  ?        ?        129.4674 50.51159 0.000000       50.51159 
1 1 1 -5  1  1  o 1144.747 16.93744 308.5623       9.120665  308.5623       9.120665  0.000000       0.000000  1144.747 16.93744 ?        ?        0.000000       16.93744 
1 1 1 -5  1  2  o 1671.116 18.35472 657.6948       14.42859  629.0131       23.66064  674.6753       18.20539  1632.321 30.81425 1691.936 22.87424 -59.61523      38.37641 
1 1 1 -5  1  3  o 1108.395 12.97619 289.1454       6.765674  280.9059       8.038796  309.1558       12.52768  1092.324 15.64481 1145.267 23.25383 -52.94324      28.02678 
1 1 1 -5  1  4  o 1125.974 11.44775 298.3467       6.063424  294.2068       8.454877  302.7306       8.700344  1117.853 16.07878 1133.914 16.31124 -16.06079      22.90379 
1 1 1 -5  1  5  o 391.2938 7.649295 36.02020       1.407971  35.84358       1.987033  36.19830       1.995336  390.2877 10.82308 392.2144 10.81492 -1.926636      15.30038 
1 1 1 -5  1  6  o 766.8579 9.575023 138.3652       3.454013  134.6452       4.792714  142.3852       4.982221  756.3445 13.47077 777.7737 13.61760 -21.42914      19.15465 
1 1 1 -5  1  7  o 384.8541 10.99325 34.85318       1.990176  38.67420       3.551956  33.10468       2.402762  405.2174 18.63418 375.0276 13.62004 30.18988       23.08112 
1 1 1 -5  1  8  o 1156.417 12.76053 314.7525       6.941487  315.6936       9.832721  313.8175       9.800848  1157.743 18.05479 1154.298 18.04997 3.444946       25.52992 
1 1 1 -5  1  9  o 520.9624 10.50160 63.86780       2.573542  68.82484       3.773528  59.55722       3.518878  540.6592 14.83729 502.9410 14.87366 37.71820       21.00883 
1 1 1 -5  1  10 o 752.9665 11.26192 133.4489       3.988939  130.6590       5.591534  136.3401       5.692238  744.7741 15.96015 760.7974 15.90541 -16.02332      22.53239 
1 1 1 -5  1  11 o 455.2259 13.95954 48.81774       2.989285  45.62560       3.530806  56.89656       5.617027  439.9199 17.06204 490.6648 24.33617 -50.74493      29.72141 
1 1 1 -5  1  12 f 337.0429 14.53199 26.77568       2.303985  29.34572       3.335206  24.42967       3.186531  351.9196 20.23212 320.8567 21.23242 31.06287       29.32839 
1 1 1 -5  1  13 o 103.7158 34.97210 2.389910       2.022441  3.691089       2.883256  1.129598       2.837616  126.8778 41.73093 99.25993 39.83964 27.61784       57.69461 
1 1 1 -5  1  14 o 65.35229 30.57793 -2.339057      2.344916  -1.722652      3.842300  -2.704899      2.960087  93.83241 42.06759 74.61447 34.72614 19.21793       54.54894 
1 1 1 -5  1  15 o 727.3665 13.27276 124.5527       4.541339  121.5743       6.356738  127.6575       6.490189  718.2776 18.81363 736.0335 18.74522 -17.75586      26.55816 
1 1 1 -5  1  16 o 561.7146 14.17548 74.28203       3.745612  77.93078       5.367991  70.81987       5.228935  575.0828 19.84322 548.1956 20.27722 26.88721       28.37109 
1 1 1 -5  1  17 o 898.0300 16.46242 189.9257       6.954306  186.6528       12.17911  191.5090       8.471067  889.0340 29.12245 901.4898 19.97598 -12.45581      35.31510 
1 1 1 -5  1  18 f 424.4688 17.25583 42.44391       3.445489  44.72272       4.901953  40.21877       4.843881  434.7318 24.06429 412.0727 25.10887 22.65906       34.77851 
1 1 1 -5  1  19 o 799.5079 15.01295 150.5477       5.646225  157.2725       8.195408  144.4718       7.789950  816.6052 21.33483 782.6851 21.15818 33.92004       30.04735 
1 1 1 -5  1  20 f 236.7793 32.68666 13.52995       3.543615  15.17766       4.336840  10.21998       6.146755  250.0048 38.07993 204.0474 60.02840 45.95735       71.08790 
1 1 1 -5  1  21 o 122.4154 45.31065 2.815377       3.460439  -3.124257      5.717290  6.249249       4.347128  111.4392 50.51502 162.0774 51.06543 -50.63816      71.82928 
1 1 1 -5  1  22 o 730.4956 15.88769 125.8287       5.459434  115.7539       7.485178  137.2799       7.980184  699.7095 22.74129 762.0799 22.26092 -62.37042      31.82318 
1 1 1 -5  1  23 o 815.0911 18.82172 156.9685       7.216638  149.8811       12.49806  160.5135       8.839078  792.6093 33.52079 823.3723 22.82136 -30.76294      40.55191 
1 1 1 -5  1  24 o 523.2952 20.96782 64.87579       5.161423  60.98292       6.200260  73.66232       9.315030  505.6856 26.15462 552.6258 36.03015 -46.94022      44.52230 
1 1 1 -5  1  25 o 457.1295 19.67906 49.55406       4.231681  55.91576       6.146762  43.82241       5.834445  483.0793 27.15966 426.8392 29.23410 56.24002       39.90338 
1 1 1 -5  1  26 f 389.5310 25.42801 36.45072       4.633771  34.66073       5.794665  39.62545       7.717152  377.1191 32.99693 399.4231 41.68708 -22.30396      53.16587 
1 1 1 -5  1  27 o 162.1754 51.61948 6.743997       4.433266  1.427467       6.318344  11.89953       6.221939  134.8462 57.24300 209.3046 60.05884 -74.45848      82.96883 
1 1 1 -5  1  28 o 85.85384 38.26891 -0.8828565     3.131029  -5.181672      4.476174  3.235547       4.381240  84.61035 40.36919 129.3003 50.23823 -44.68994      64.44805 
1 1 1 -5  1  29 o 363.1901 27.69570 32.35467       4.696013  43.66825       9.251694  28.42820       5.450327  405.2668 49.56293 336.2455 34.97013 69.02124       60.65801 
1 1 1 -5  1  30 o 208.3248 37.89977 11.29566       3.577220  7.300036       4.944420  15.68420       5.181831  162.9597 54.68294 240.3965 47.50764 -77.43678      72.43756 
1 1 1 -5  1  31 o 146.3308 44.59994 5.802464       3.347799  8.820122       4.980116  3.314477       4.521977  175.1018 54.57452 127.2128 50.54807 47.88901       74.38740 
1 1 1 -5  1  32 o 121.8974 46.36679 3.460005       3.677287  0.3469085      6.030951  5.302315       4.639497  119.3258 53.15623 141.6964 52.46152 -22.37055      74.68465 
1 1 1 -5  1  33 o 294.7026 26.92587 21.84546       3.691463  18.67083       5.255387  24.93722       5.186331  258.2503 44.89026 306.9368 36.64495 -48.68646      57.94815 
1 1 1 -5  1  34 o 275.7617 32.73214 20.03858       4.163069  28.03508       8.016776  17.08597       4.871392  293.3618 60.11380 244.4236 43.98570 48.93820       74.48766 
1 1 1 -5  1  35 f 163.2497 53.03097 8.938829       4.661507  8.935791       6.666544  8.941737       6.520611  155.4306 61.49659 155.7688 61.07581 -0.3381042     86.67229 
1 1 1 -5  1  36 o 106.4148 44.94736 2.593136       3.864348  0.9399525      5.704424  3.995244       5.253418  107.2512 49.30820 119.9083 51.57950 -12.65715      71.35646 
1 1 1 -5  3  1  o 1229.478 12.29191 355.7409       7.109015  345.8743       9.784163  366.7747       10.34674  1211.972 17.16176 1248.015 17.62440 -36.04248      24.59970 
1 1 1 -5  3  2  o 766.8788 10.65285 138.3833       3.842924  137.8419       6.618571  138.6586       4.720056  765.0443 18.39112 767.5560 13.07277 -2.511719      22.56393 
1 1 1 -5  3  3  o 406.7405 7.986483 38.92081       1.528067  39.05788       1.838650  38.61475       2.747573  407.4337 9.593404 405.0246 14.42111 2.409119       17.32056 
1 1 1 -5  3  4  o 118.4603 9.691166 3.323837       0.5353025 3.462705       0.7550473 3.183499       0.7590327 120.5336 13.55165 115.4168 14.28563 5.116791       19.69077 
1 1 1 -5  3  5  o 465.8716 7.687862 51.05898       1.684772  49.09710       2.327616  53.21795       2.441734  456.7817 10.83261 475.5634 10.91492 -18.78162      15.37794 
1 1 1 -5  3  6  f 464.7090 9.438838 50.81049       2.063331  49.35168       2.628854  53.15102       3.329834  457.9355 12.20374 475.1677 14.89726 -17.23221      19.25772 
1 1 1 -5  3  7  f 1060.078 11.81606 264.4618       5.892235  267.3497       8.448735  261.7271       8.221662  1065.536 16.85599 1054.292 16.57790 11.24426       23.64214 
1 1 1 -5  3  8  f 408.3647 11.57808 39.24595       2.224099  43.96552       4.363557  37.58951       2.585100  431.9075 21.47734 399.6049 13.75236 32.30261       25.50301 
1 1 1 -5  3  9  o 498.9010 10.53343 58.57553       2.472030  57.59244       3.502896  59.55090       3.489101  494.5494 15.05734 502.8996 14.74901 -8.350220      21.07740 
1 1 1 -5  3  10 o 229.2065 17.90134 12.45766       1.914794  11.50119       3.460579  12.87970       2.298752  217.5810 34.99753 232.7033 21.23391 -15.12230      40.93539 
1 1 1 -5  3  11 o 181.0322 21.33079 7.845865       1.781619  8.611043       2.600403  7.168927       2.445871  188.2245 30.40593 171.1723 31.53804 17.05217       43.80832 
1 1 1 -5  3  12 f 78.33292 31.67342 0.6247752      1.807989  -2.754813      2.539975  4.095873       2.574132  66.72155 31.40969 130.2248 38.97887 -63.50321      50.05918 
1 1 1 -5  3  13 o 262.2378 20.02289 16.32411       2.451299  15.08628       3.099374  18.39180       4.005760  251.1092 26.64581 276.7436 31.32222 -25.63445      41.12275 
1 1 1 -5  3  14 o 446.6721 30.49279 47.41380       6.368722  0.000000       0.000000  47.41380       6.368722  ?        ?        446.6721 30.49279 0.000000       30.49279 
1 1 1 -5  3  15 o 110.6323 39.27779 2.501274       2.565089  0.9054698      4.471430  3.284029       3.131624  118.5929 49.08996 124.6067 43.46895 -6.013763      65.56961 
1 1 1 -5  3  16 f 743.9332 13.71882 130.2825       4.800872  133.9443       6.961577  126.9618       6.629505  753.9713 19.62834 734.0843 19.19844 19.88696       27.45636 
1 1 1 -5  3  17 o 983.1027 14.44236 227.5483       6.678920  224.4349       9.456401  230.6472       9.434476  975.8471 20.60036 989.2924 20.27327 -13.44525      28.90295 
1 1 1 -5  3  18 o 1471.100 20.00852 510.1060       13.84606  515.9711       16.99152  498.5137       23.88781  1478.751 24.42687 1451.072 34.99599 27.67981       42.67776 
1 1 1 -5  3  19 o 336.7213 20.68820 26.83771       3.261029  24.46172       4.562392  29.31946       4.662831  320.1281 30.67248 351.0544 28.48173 -30.92624      41.85702 
1 1 1 -5  3  20 o 354.5132 19.72918 29.73343       3.277084  26.03139       4.575206  33.63379       4.696155  330.3223 29.76413 376.2626 26.70622 -45.94034      39.98907 
1 1 1 -5  3  21 o 685.2561 17.93546 110.7469       5.781421  111.4447       9.987400  110.3952       7.090125  685.5607 30.96972 683.6909 22.04575 1.869812       38.01498 
1 1 1 -5  3  22 o 351.6852 21.19651 29.33115       3.490227  34.70230       5.160137  24.80168       4.738612  381.3750 28.98015 321.5303 31.74440 59.84473       42.98320 
1 1 1 -5  3  23 o 231.7303 30.61471 13.00010       3.255493  17.33613       4.966321  9.733090       4.310865  265.6371 41.06937 196.7328 47.18877 68.90421       62.55775 
1 1 1 -5  3  24 o 387.2491 20.63342 35.62750       3.745087  40.04556       5.434494  31.63175       5.168239  408.8517 28.43378 362.5988 30.58581 46.25284       41.76089 
1 1 1 -5  3  25 o 438.7941 19.85464 45.67709       4.098191  45.30456       5.701836  46.07521       5.894393  434.2940 28.06017 437.7492 28.78546 -3.455261      40.19920 
1 1 1 -5  3  26 o 466.9266 19.64068 51.82127       4.313943  53.27003       6.132229  50.40180       6.069922  470.1580 27.85126 457.0761 28.37107 13.08188       39.75689 
1 1 1 -5  3  27 o 175.2393 46.62090 8.029190       3.910278  23.51962       7.346505  1.905931       4.618919  298.1621 54.38306 122.6203 50.23192 175.5417       74.03218 
1 1 1 -5  3  28 f 76.60800 35.67154 -2.518265      3.129615  0.3747547      4.541513  -5.134462      4.318770  110.9695 47.84532 82.67466 39.50306 28.29479       62.04568 
1 1 1 -5  3  29 o 96.98052 40.84208 0.7215948      3.175579  -3.244766      4.585306  4.377473       4.402182  92.61456 43.14249 137.2965 51.04863 -44.68194      66.83739 
1 1 1 -5  3  30 o 365.9303 28.52616 33.11827       4.871542  31.73638       5.852235  36.23663       8.791196  353.3671 35.69617 362.5390 53.12568 -9.171936      64.00433 
1 1 1 -5  3  31 o 239.0164 35.21635 14.73069       3.840852  10.73541       4.679260  22.98157       6.724411  194.6741 50.62309 286.4912 51.80373 -91.81712      72.43151 
1 1 1 -5  3  32 o 177.2061 52.60456 9.210720       4.702723  9.210720       4.702723  0.000000       0.000000  177.2061 52.60456 ?        ?        0.000000       52.60456 
1 1 1 -5  3  33 o 204.1003 60.83900 13.55232       6.280601  0.000000       0.000000  13.55232       6.280601  ?        ?        204.1003 60.83900 0.000000       60.83900 
1 1 1 -5  3  34 o 221.5434 39.16739 13.60660       3.932497  19.99406       7.186186  10.87615       4.698423  241.7389 62.67320 186.5448 51.73461 55.19409       81.26746 
1 1 1 -5  3  35 o 100.1731 41.65226 1.900555       3.239951  -2.423900      5.445786  4.269901       4.030966  96.38115 45.55940 122.8957 48.06642 -26.51454      66.22719 
1 1 1 -5  3  36 o 111.9670 49.42628 2.661118       5.098645  2.661118       5.098645  0.000000       0.000000  111.9670 49.42628 ?        ?        0.000000       49.42628 
1 1 1 -5  5  1  o 982.2189 10.53694 227.0057       4.868466  235.9127       7.176610  219.4122       6.626364  1001.076 15.23993 965.4669 14.59045 35.60870       21.09826 
1 1 1 -5  5  2  o 1077.993 11.39697 273.4535       5.779293  261.6672       6.393572  326.0999       13.51260  1054.433 12.89006 1176.166 24.42311 -121.7329      27.61597 
1 1 1 -5  5  3  o 738.6634 10.33209 128.3829       3.590079  130.9017       4.417611  123.4840       6.160920  745.8015 12.59201 724.1326 18.08665 21.66888       22.03828 
1 1 1 -5  5  4  o 1371.843 15.74419 443.0542       10.16001  430.9183       11.94868  474.7325       19.30487  1352.655 18.77862 1418.454 28.93226 -65.79907      34.49220 
1 1 1 -5  5  5  o 568.9592 8.195300 76.15788       2.193387  75.35865       3.067462  76.99404       3.137560  565.8937 11.52325 571.9976 11.66081 -6.103821      16.39389 
1 1 1 -5  5  6  o 1406.666 14.11360 465.7724       9.338954  469.3857       13.30934  462.2678       13.10752  1411.530 20.04459 1400.804 19.89180 10.72607       28.23950 
1 1 1 -5  5  7  o 157.0528 14.51868 5.856312       1.060472  9.107914       1.660084  3.614664       1.378368  195.7950 18.23400 121.5925 24.93534 74.20249       30.89093 
1 1 1 -5  5  8  o 774.6193 15.84803 141.3085       5.774744  139.3876       7.970966  143.4305       8.377645  768.8799 22.03856 779.8800 22.83625 -11.00006      31.73629 
1 1 1 -5  5  9  o 238.0841 15.15330 13.40561       1.688271  13.43639       3.030495  13.39177       2.032961  236.8387 27.72612 237.6581 18.32621 -0.8193817     33.23534 
1 1 1 -5  5  10 o 459.0977 11.29778 49.62769       2.439875  50.38266       3.533363  48.93962       3.373213  462.3070 16.24757 455.6701 15.73707 6.636902       22.61944 
1 1 1 -5  5  11 o 269.8488 15.40888 17.22267       1.947852  18.33440       2.899054  16.30777       2.629926  277.6254 22.38909 261.8440 21.54276 15.78137       31.07027 
1 1 1 -5  5  12 o 857.8184 17.48920 173.5441       7.057238  173.5441       7.057238  0.000000       0.000000  857.8184 17.48920 ?        ?        0.000000       17.48920 
1 1 1 -5  5  13 o 687.7308 12.20459 111.3553       3.948306  111.9197       5.686711  110.8301       5.486182  689.1038 17.54313 685.7839 17.00645 3.319885       24.43319 
1 1 1 -5  5  14 o 937.4606 13.30854 206.8908       5.868846  216.0730       8.609930  198.9219       8.020940  957.5746 19.11427 918.8340 18.55748 38.74060       26.64085 
1 1 1 -5  5  15 o 194.3761 25.95213 9.070513       2.313664  9.945248       3.395616  8.312481       3.160997  201.8645 37.12743 184.0779 37.77142 17.78658       52.96344 
1 1 1 -5  5  16 o 937.9780 15.89536 207.1691       7.013462  206.2723       12.07855  207.6252       8.614456  934.8779 27.46570 938.7366 19.50809 -3.858704      33.68873 
1 1 1 -5  5  17 o 393.3185 16.85808 36.43686       3.119046  33.16361       4.466987  39.55098       4.357060  374.0325 25.54112 408.9167 22.74098 -34.88422      34.19797 
1 1 1 -5  5  18 o 534.0276 15.35545 67.16457       3.857408  65.84087       5.566494  68.38747       5.350323  528.3463 22.39721 538.5507 21.11952 -10.20441      30.78423 
1 1 1 -5  5  19 o 437.0150 21.20072 45.04896       4.358290  43.12317       5.115433  50.14864       8.324327  426.5319 25.61406 457.9046 39.01820 -31.37274      46.67441 
1 1 1 -5  5  20 o 1412.345 17.27282 470.2111       11.47554  477.6848       16.52002  463.2419       15.95259  1421.865 24.69921 1400.328 24.21765 21.53674       34.59112 
1 1 1 -5  5  21 o 919.1460 15.51472 199.1356       6.708073  209.0520       9.857540  190.5829       9.154696  940.6738 22.27718 898.2687 21.66548 42.40509       31.07517 
1 1 1 -5  5  22 o 200.2789 46.71766 10.03803       4.320655  0.000000       0.000000  10.03803       4.320655  ?        ?        200.2789 46.71766 0.000000       46.71766 
1 1 1 -5  5  23 o 198.4700 33.57763 9.661683       3.023024  10.36892       4.394034  9.026093       4.165517  202.8993 46.96601 189.2791 46.99940 13.62018       66.44358 
1 1 1 -5  5  24 o 323.7988 23.55848 25.03851       3.563727  27.66770       5.200814  22.71133       4.893000  338.0691 33.12939 305.5670 34.65355 32.50217       47.94189 
1 1 1 -5  5  25 o 142.2566 47.08435 4.840676       3.668336  4.983285       4.234060  4.411416       7.345891  146.4876 50.57582 161.7957 64.38311 -15.30814      81.87245 
1 1 1 -5  5  26 o 136.9339 43.74008 4.613101       3.180980  3.541343       4.407659  5.778096       4.595381  133.9312 50.80644 154.4309 52.71310 -20.49971      73.21178 
1 1 1 -5  5  27 o 475.7945 19.23562 53.94659       4.305215  53.26029       6.059143  54.64636       6.118274  468.7989 27.59786 474.9282 27.50392 -6.129333      38.96289 
1 1 1 -5  5  28 o 216.1050 46.79852 12.39203       4.619601  0.000000       0.000000  12.39203       4.619601  ?        ?        216.1050 46.79852 0.000000       46.79852 
1 1 1 -5  5  29 o 80.08241 36.72604 -1.783273      3.137829  -1.130744      4.497146  -2.402329      4.380282  101.1339 45.41427 93.67129 43.11785 7.462601       62.62272 
1 1 1 -5  5  30 o 87.79350 39.01928 -0.6212344     3.230554  0.3450666      4.402347  -1.748759      4.755443  107.4060 46.70564 100.3095 45.70139 7.096504       65.34549 
1 1 1 -5  5  31 o 80.04179 38.10069 -4.076126      3.938858  -1.845494      4.690148  -9.414389      7.255588  98.32944 45.02291 99.57745 48.45781 -1.248009      66.14545 
1 1 1 -5  5  32 o 227.5612 33.73945 13.42752       3.502243  16.84025       4.994664  10.12655       4.912206  247.4317 44.55071 184.8240 53.46072 62.60776       69.59033 
1 1 1 -5  5  33 o 233.3061 36.71558 14.55357       3.896295  8.849585       6.546334  17.68268       4.848629  166.0333 62.14898 252.9279 42.24222 -86.89462      75.14587 
1 1 1 -5  5  34 o 150.4087 47.84455 6.859929       3.809019  6.709275       6.754301  6.930184       4.612432  147.4251 60.60883 148.9590 52.69270 -1.533905      80.31158 
1 1 1 -5  5  35 o 145.0347 44.52633 6.480044       3.329284  2.099584       5.458673  9.074695       4.201134  114.5099 50.81502 166.9069 49.75956 -52.39708      71.12089 
1 1 1 -5  5  36 o 178.0399 61.03014 13.25208       6.160148  13.25208       6.160148  0.000000       0.000000  178.0399 61.03014 ?        ?        0.000000       61.03014 
1 1 1 -5  7  2  o 403.3216 9.030101 38.27164       1.713221  39.32818       2.761863  37.61081       2.184244  408.7538 14.36386 399.7838 11.61467 8.970001       18.47216 
1 1 1 -5  7  3  o 1730.393 19.28500 705.2773       15.69761  696.6647       18.89956  724.4352       28.18760  1719.210 23.36971 1751.007 34.22165 -31.79688      41.43989 
1 1 1 -5  7  4  o 513.8516 9.627661 62.12688       2.327168  61.21243       2.680868  64.92271       4.687616  510.0223 11.17421 524.9991 18.98122 -14.97684      22.02612 
1 1 1 -5  7  5  o 1131.226 13.51867 301.2220       7.193700  299.9194       8.823039  303.8050       12.42447  1128.545 16.61996 1135.172 23.26735 -6.626221      28.59358 
1 1 1 -5  7  6  o 1016.338 11.20887 243.0973       5.358820  239.7898       7.455700  246.6321       7.707608  1009.104 15.70664 1023.376 16.01088 -14.27203      22.42871 
1 1 1 -5  7  7  o 688.6140 9.488331 111.5878       3.073513  115.1859       4.494847  108.4281       4.212121  699.4329 13.66154 678.6301 13.19467 20.80280       18.99307 
1 1 1 -5  7  8  f 333.3846 10.22065 26.16140       1.602852  26.88757       2.457315  25.62364       2.114637  337.8142 15.46371 329.8427 13.62886 7.971497       20.61242 
1 1 1 -5  7  9  o 857.5766 13.03598 173.2401       5.258790  174.7919       9.699404  172.5941       6.258493  859.8461 23.98032 855.7001 15.54816 4.145996       28.57973 
1 1 1 -5  7  10 f 369.6053 11.58829 32.17100       2.014777  33.37639       3.036222  31.22260       2.693174  376.1827 17.15795 363.9228 15.73207 12.25989       23.27860 
1 1 1 -5  7  11 o 787.9059 11.60459 146.1728       4.301038  146.8960       6.224294  145.5119       5.950137  789.3804 16.76233 785.7228 16.09861 3.657593       23.24093 
1 1 1 -5  7  12 o 1158.820 13.80646 316.2193       7.526063  312.5131       10.60978  319.9729       10.67746  1151.316 19.59037 1164.991 19.48391 -13.67529      27.62979 
1 1 1 -5  7  13 o 1588.102 19.80840 594.3376       14.79780  594.3862       17.90824  594.2331       26.27394  1587.456 23.98181 1584.662 35.24678 2.794067       42.63171 
1 1 1 -5  7  14 f 400.2058 14.55602 37.70597       2.740283  36.87965       4.027981  38.41790       3.738842  394.9727 21.76358 403.8108 19.68294 -8.838104      29.34402 
1 1 1 -5  7  15 o 870.4891 15.19902 178.4036       6.223693  180.1724       10.75657  177.5134       7.630673  873.9297 26.16543 868.0909 18.68651 5.838806       32.15300 
1 1 1 -5  7  16 o 780.0078 15.80606 143.2670       5.799518  149.3460       10.77417  140.7871       6.881528  795.3049 28.79922 773.0314 18.92424 22.27350       34.46044 
1 1 1 -5  7  17 o 629.0947 14.12616 93.18064       4.180318  88.34794       5.923448  97.97572       5.900346  612.2054 20.56876 644.7761 19.45357 -32.57068      28.31104 
1 1 1 -5  7  18 o 1142.258 17.39490 307.4330       9.346638  311.5535       11.91200  300.8324       15.07641  1149.262 22.03414 1128.238 28.40718 21.02441       35.95095 
1 1 1 -5  7  19 o 294.5454 22.09488 20.58806       3.039044  16.92291       4.317314  24.18787       4.278662  264.7794 35.56144 318.4872 28.87310 -53.70779      45.80690 
1 1 1 -5  7  20 o 670.4482 15.08035 105.9191       4.756044  108.2015       6.892150  103.8441       6.571430  676.9698 21.64293 663.2656 21.06217 13.70422       30.19986 
1 1 1 -5  7  21 o 156.8447 39.81097 6.101470       2.942322  1.420690       4.305986  10.20120       4.029869  119.5863 48.68833 202.6213 43.57473 -83.03496      65.33996 
1 1 1 -5  7  22 o 269.3172 25.47426 17.34762       3.188936  13.44581       4.485755  21.33436       4.534312  233.0722 42.47951 297.4124 32.96477 -64.34023      53.76974 
1 1 1 -5  7  23 o 313.6118 22.77363 23.44433       3.336730  26.76538       4.938892  20.65558       4.525818  333.1851 31.90191 291.9082 33.57080 41.27686       46.31123 
1 1 1 -5  7  24 o 301.6404 27.48216 21.89846       3.856719  20.87263       4.887693  23.59097       6.278166  291.9423 36.38015 307.7430 44.67400 -15.80072      57.61320 
1 1 1 -5  7  25 o 287.3339 26.18507 19.90792       3.500382  19.93284       4.968429  19.88336       4.932342  283.6888 38.20254 283.4270 37.94751 0.2618408      53.84652 
1 1 1 -5  7  26 o 425.9447 20.19420 43.21244       4.046217  41.57631       5.719647  44.85151       5.724788  413.8898 29.57227 430.4491 28.43292 -16.55933      41.02378 
1 1 1 -5  7  27 o 90.51608 40.33620 -0.9569097     3.475921  -0.3522592     5.764750  -1.302314      4.357044  119.9131 52.76161 99.98865 44.81440 19.92448       69.22512 
1 1 1 -5  7  28 o 77.84927 35.88789 -2.003556      3.049982  -6.570959      4.341392  2.447619       4.285798  78.02679 37.85754 121.8530 48.94249 -43.82622      61.87537 
1 1 1 -5  7  29 o 237.4375 32.41815 14.19226       3.526202  10.44019       4.902607  18.21362       5.075492  193.7061 52.49456 263.9000 42.31540 -70.19386      67.42605 
1 1 1 -5  7  30 o 134.5614 45.23882 4.676350       3.384094  5.494758       4.723457  3.813239       4.850743  146.4770 53.14113 133.8147 52.61153 12.66225       74.77937 
1 1 1 -5  7  31 o 133.2771 44.91706 4.668130       3.336207  5.816041       4.527158  3.303823       4.935458  147.0966 52.18516 129.2303 52.30396 17.86638       73.88501 
1 1 1 -5  7  32 o 442.4567 25.70512 48.54579       5.327014  42.46716       6.061293  69.17361       11.16578  408.2097 31.81677 497.9584 48.27429 -89.74866      57.81621 
1 1 1 -5  7  33 o 599.4108 21.53328 88.12964       6.071613  84.36386       10.44339  90.05240       7.462379  558.1248 40.04396 599.6684 26.45433 -41.54358      47.99324 
1 1 1 -5  7  34 o 147.0324 51.21035 6.754591       4.345542  0.000000       0.000000  6.754591       4.345542  ?        ?        147.0324 51.21035 0.000000       51.21035 
1 1 1 -5  7  35 f 121.8285 47.50876 4.315499       3.929119  3.730678       5.429702  4.958383       5.692862  121.8994 52.43692 129.4108 54.60174 -7.511398      75.70324 
1 1 1 -5  7  36 o 104.5006 44.10709 2.617274       3.716912  1.601070       5.054475  3.813912       5.484879  105.1431 47.59357 117.3585 51.55521 -12.21542      70.16471 
1 1 1 -5  9  1  o 428.0103 9.094526 43.10397       1.831064  40.19025       2.739120  45.45797       2.462020  413.1782 14.09303 439.4811 11.90919 -26.30292      18.45108 
1 1 1 -5  9  2  o 468.5798 9.592684 51.66574       2.114429  51.33770       3.380544  51.87655       2.709943  466.9238 15.39116 469.4673 12.27116 -2.543488      19.68423 
1 1 1 -5  9  3  o 804.0815 20.60452 152.4079       7.793490  0.000000       0.000000  152.4079       7.793490  ?        ?        804.0815 20.60452 0.000000       20.60452 
1 1 1 -5  9  4  o 840.6061 14.14428 166.3915       5.592974  166.3915       5.592974  0.000000       0.000000  840.6061 14.14428 ?        ?        0.000000       14.14428 
1 1 1 -5  9  5  f 309.8153 10.08562 22.59135       1.469857  21.55071       1.577427  29.45006       4.049683  302.5742 11.08277 352.2893 24.59151 -49.71512      26.97351 
1 1 1 -5  9  6  o 201.4045 11.43828 9.581268       1.079205  10.48911       1.385114  8.178685       1.721651  210.5457 14.06619 185.1015 20.09550 25.44417       24.52931 
1 1 1 -5  9  7  o 150.3717 13.83331 5.372099       0.9675294 6.296077       1.785811  4.988190       1.151114  161.4307 24.26776 144.4181 17.28809 17.01263       29.79601 
1 1 1 -5  9  8  o 330.1867 11.41825 25.67205       1.773489  24.22117       2.927659  26.51308       2.229010  319.7711 19.55711 335.4490 14.12590 -15.67792      24.12512 
1 1 1 -5  9  9  o 623.3548 10.24008 91.46831       3.002671  88.10968       4.321772  94.60249       4.174875  611.5107 15.02410 633.7156 14.00489 -22.20490      20.53924 
1 1 1 -5  9  10 o 406.0820 11.07966 38.81596       2.116457  42.95127       3.436601  36.28914       2.686345  426.9324 17.11200 392.5299 14.54855 34.40247       22.46065 
1 1 1 -5  9  11 o 815.8898 12.95012 156.6999       4.970207  156.5231       6.462396  156.9560       7.776489  815.1908 16.85253 816.0583 20.25784 -0.8674927     26.35123 
1 1 1 -5  9  12 o 781.8596 11.94938 143.8687       4.394844  146.0335       6.425353  141.9655       6.024490  787.4500 17.34622 776.4529 16.49437 10.99701       23.93649 
1 1 1 -5  9  13 o 1063.669 13.48991 266.3038       6.749707  260.2962       9.492823  272.4467       9.599118  1051.200 19.19732 1075.474 18.97414 -24.27380      26.99176 
1 1 1 -5  9  14 o 304.1444 16.93956 21.85059       2.413928  20.07114       3.536417  23.40302       3.303131  290.5412 26.15574 314.3083 22.48950 -23.76709      34.49493 
1 1 1 -5  9  15 f 386.7234 15.33918 35.21303       2.790435  34.85202       4.148716  35.51127       3.770837  383.7877 23.08761 387.6346 20.75509 -3.846863      31.04531 
1 1 1 -5  9  16 o 679.9026 13.47190 108.8254       4.308685  109.8237       6.309021  107.9527       5.898476  682.6624 19.64657 676.8953 18.52461 5.767151       27.00276 
1 1 1 -5  9  17 o 946.6360 14.48145 211.0200       6.448583  212.1060       9.384049  210.0482       8.876453  948.4417 21.03344 943.9443 19.99051 4.497375       29.01768 
1 1 1 -5  9  18 o 477.3423 15.75916 53.67885       3.538607  51.50998       5.036270  55.79358       4.973022  467.1779 22.91698 486.2986 21.73942 -19.12067      31.58782 
1 1 1 -5  9  19 o 715.3912 14.62246 120.5695       4.920774  121.7268       7.108715  119.5047       6.818409  718.1880 21.04184 711.6784 20.36714 6.509644       29.28445 
1 1 1 -5  9  20 o 255.9587 30.38230 15.75284       3.586701  15.26054       4.228508  17.01546       6.771886  250.5566 36.98896 260.3322 56.88807 -9.775589      67.85599 
1 1 1 -5  9  21 o 511.2703 16.48128 61.67291       3.963793  65.99599       5.961766  58.24783       5.306565  527.9653 24.00492 496.1736 22.73582 31.79169       33.06287 
1 1 1 -5  9  22 o 482.7043 17.36541 55.04335       3.943079  57.79137       5.894271  52.81742       5.304891  492.7186 25.51837 471.3097 24.00720 21.40897       35.03617 
1 1 1 -5  9  23 o 509.8852 20.31373 61.61100       4.872270  62.84186       8.780080  61.06332       5.856786  509.3451 36.89520 506.7336 24.57030 2.611511       44.32781 
1 1 1 -5  9  24 o 279.7155 25.15925 18.81039       3.275006  16.32134       4.714283  21.13208       4.553041  255.9253 40.50775 294.2725 33.48785 -38.34715      52.55772 
1 1 1 -5  9  25 o 290.7299 24.50776 20.34841       3.320427  26.53769       5.019212  15.53179       4.427786  329.5101 32.81816 249.1243 39.06828 80.38580       51.02316 
1 1 1 -5  9  26 o 167.1820 44.97448 7.267142       3.614259  8.014894       4.275664  5.395363       6.764760  174.7301 49.67105 160.9014 62.45078 13.82870       79.79544 
1 1 1 -5  9  27 o 473.7166 19.18780 53.57086       4.275756  48.56811       6.048852  58.56694       6.044816  446.0181 28.98775 491.5335 26.23818 -45.51541      39.09900 
1 1 1 -5  9  28 o 132.4153 44.12381 4.400063       3.219543  6.041817       4.727125  2.979597       4.397018  153.4770 53.41389 126.4469 49.97069 27.03008       73.14447 
1 1 1 -5  9  29 o 208.0282 47.76831 11.76492       4.575815  4.060642       6.867496  17.91617       6.136404  147.9701 61.00666 254.4578 52.98769 -106.4878      80.80537 
1 1 1 -5  9  30 o 324.6442 24.77589 25.82923       3.755040  22.96280       5.276643  28.77025       5.344872  297.6948 38.58846 336.7982 34.21125 -39.10342      51.57013 
1 1 1 -5  9  31 o 271.4618 29.01663 18.50766       3.647918  12.87681       5.104043  24.38743       5.215636  211.6967 51.70060 306.3163 36.94218 -94.61963      63.54272 
1 1 1 -5  9  32 o 86.40150 40.98015 -3.824838      4.477558  -2.612069      5.793167  -5.624257      7.056564  104.0457 48.47598 105.1502 50.31133 -1.104561      69.86523 
1 1 1 -5  9  33 o 128.5450 46.05437 4.558734       3.534199  4.182521       6.086022  4.750150       4.341170  134.1795 56.52620 132.0942 50.34671 2.085220       75.69678 
1 1 1 -5  9  34 f 100.7448 43.20716 1.405836       3.666783  2.531808       4.950535  0.3733651E-01  5.457713  116.1132 50.00853 106.9723 48.82321 9.140877       69.88963 
1 1 1 -5  11 1  o 583.6334 8.874017 80.16670       2.436294  83.68066       3.458325  76.70464       3.432697  596.1121 12.33300 570.6980 12.78674 25.41412       17.76523 
1 1 1 -5  11 2  o 746.8226 11.07022 131.3129       3.889046  131.0048       6.468668  131.4873       4.866850  745.2859 18.45112 747.1082 13.84826 -1.822327      23.06985 
1 1 1 -5  11 3  o 323.6728 11.28479 24.66650       1.718182  20.05945       2.736097  27.66616       2.207781  290.8651 20.12091 342.7040 13.69517 -51.83893      24.33945 
1 1 1 -5  11 4  o 1015.165 13.51524 242.7530       6.454009  252.0414       7.981613  225.2081       10.96976  1034.036 16.40914 976.2367 23.88761 57.79919       28.98065 
1 1 1 -5  11 5  o 463.4766 10.32838 50.56599       2.251798  49.30489       2.481377  56.45066       5.360186  457.6136 11.52722 488.8668 23.30881 -31.25314      26.00341 
1 1 1 -5  11 6  o 523.6741 11.99787 64.56760       2.955524  64.56760       2.955524  0.000000       0.000000  523.6741 11.99787 ?        ?        0.000000       11.99787 
1 1 1 -5  11 7  o 261.5609 12.18938 16.10621       1.499766  16.85196       2.027296  15.20469       2.229003  266.9613 16.22042 253.2744 18.84386 13.68694       24.86349 
1 1 1 -5  11 8  o 382.3203 9.644516 34.39582       1.734511  38.46993       2.681444  31.46464       2.274437  404.2172 14.10213 365.5887 13.22549 38.62857       19.33349 
1 1 1 -5  11 9  f 1023.429 12.06620 246.5109       5.808947  246.7094       8.331725  246.3232       8.103223  1023.490 17.30542 1022.724 16.84341 0.7656250      24.14908 
1 1 1 -5  11 10 o 786.5291 13.02232 145.6009       4.818063  139.9822       8.951885  147.8923       5.716693  770.5243 24.69783 792.5898 15.33300 -22.06555      29.07032 
1 1 1 -5  11 11 o 1207.247 13.83918 343.0453       7.859153  340.1456       11.15477  345.9034       11.07471  1201.677 19.73347 1211.833 19.42764 -10.15576      27.69193 
1 1 1 -5  11 12 o 500.0346 11.88806 58.84057       2.796277  58.27133       4.300080  59.25766       3.680811  497.4210 18.37736 501.7048 15.59646 -4.283783      24.10346 
1 1 1 -5  11 13 o 411.2706 13.11538 39.81085       2.537335  44.02050       3.964892  36.89109       3.302034  432.2839 19.49813 395.7863 17.73583 36.49762       26.35786 
1 1 1 -5  11 14 o 928.4847 19.63523 203.1145       8.575908  215.4281       11.61343  188.3472       12.71803  955.6102 25.83513 893.0317 30.27496 62.57849       39.79984 
1 1 1 -5  11 15 f 385.7764 16.79232 35.05260       3.047304  31.18824       4.170976  39.47682       4.462896  362.7734 24.58696 408.4720 23.32331 -45.69855      33.88945 
1 1 1 -5  11 16 o 541.7065 14.16444 69.09642       3.609381  71.06449       5.318469  67.41610       4.914322  549.0237 20.59331 534.8084 19.53422 14.21533       28.38433 
1 1 1 -5  11 17 o 731.7637 14.15919 126.1068       4.873921  129.1517       7.272407  123.6239       6.566979  739.9871 20.89223 724.1277 19.27885 15.85931       28.42814 
1 1 1 -5  11 18 f 603.4681 14.35564 85.78609       4.075175  83.86457       5.962572  87.47046       5.582518  596.1241 21.26315 608.9691 19.48792 -12.84497      28.84269 
1 1 1 -5  11 19 o 463.5573 15.99154 50.65711       3.487089  48.60585       5.017790  52.57307       4.849492  452.8540 23.63707 471.7749 21.85204 -18.92087      32.19041 
1 1 1 -5  11 20 o 678.3124 16.81312 108.5565       5.364724  109.0369       9.563301  108.3360       6.480416  677.5054 30.00722 677.1327 20.34510 0.3726807      36.25406 
1 1 1 -5  11 21 f 476.7415 20.80621 53.77837       4.666004  52.91660       5.465727  56.09394       8.959455  471.6980 24.71885 481.5183 39.91471 -9.820343      46.94897 
1 1 1 -5  11 22 o 762.9528 15.54349 137.4813       5.578476  128.9328       7.786509  146.4959       7.995975  737.1891 22.45405 786.0422 21.62501 -48.85315      31.17411 
1 1 1 -5  11 23 o 348.5946 20.57213 28.93518       3.358463  29.46057       4.809911  28.43535       4.691471  349.5243 29.53075 343.4057 29.32347 6.118622       41.61648 
1 1 1 -5  11 24 o 179.1630 37.09112 8.081924       3.023039  5.968330       4.571468  9.724472       4.029990  156.7210 52.58022 194.7360 44.91052 -38.01500      69.14937 
1 1 1 -5  11 25 o 471.9832 18.41529 52.95065       4.088598  48.88285       5.844642  56.84901       5.721623  449.7073 27.76438 486.2594 25.09953 -36.55209      37.42789 
1 1 1 -5  11 26 o 215.8064 35.88135 11.73805       3.514622  14.97622       6.436150  10.36215       4.195381  233.5614 58.66064 198.7390 45.81497 34.82240       74.43173 
1 1 1 -5  11 27 o 182.2653 47.23048 8.872206       4.082458  4.786730       4.766122  20.12782       7.910949  143.7448 53.18201 265.5193 64.07237 -121.7746      83.26821 
1 1 1 -5  11 28 o 164.1032 42.02417 7.123927       3.258179  11.48211       4.739258  3.217982       4.486634  205.3996 49.60876 128.6862 50.59740 76.71341       70.85990 
1 1 1 -5  11 29 o 134.6474 42.70543 4.713845       3.036400  3.954480       4.460535  5.369589       4.145039  133.2970 50.97935 144.2736 50.02821 -10.97659      71.42630 
1 1 1 -5  11 30 o 405.4521 33.41039 41.57482       6.315477  47.53270       8.854148  35.40429       9.010779  421.8035 45.33542 352.8740 56.16680 68.92947       72.18040 
1 1 1 -5  11 31 o 137.3876 47.14558 5.079106       3.676480  1.451843       6.167477  7.078511       4.578976  125.5315 54.91874 157.3010 52.62413 -31.76952      76.06159 
1 1 1 -5  11 32 o 241.7434 58.54339 18.29073       6.586590  18.29073       6.586590  0.000000       0.000000  241.7434 58.54339 ?        ?        0.000000       58.54339 
1 1 1 -5  11 33 o 141.9800 44.51067 5.893071       3.307314  -0.3234245     5.309663  9.834029       4.227611  106.1775 48.34245 179.8169 48.75393 -73.63940      68.65813 
1 1 1 -5  11 34 o 145.5815 48.26335 6.709858       3.853773  5.068371       5.182886  8.739596       5.763321  131.0985 53.40052 156.2398 58.34705 -25.14127      79.09484 
1 1 1 -5  13 1  o 558.1859 9.182606 73.31340       2.411094  71.38321       3.258304  75.64954       3.584609  550.6855 12.57821 566.8706 13.44276 -16.18512      18.40976 
1 1 1 -5  13 2  o 217.3645 12.88365 11.16075       1.311462  12.64197       1.834210  9.611489       1.875866  231.0520 16.99532 200.9511 20.11473 30.10085       26.33331 
1 1 1 -5  13 3  o 262.2867 15.35040 16.25367       1.885680  21.68550       3.001305  12.71106       2.423809  302.5873 21.22005 231.1022 22.58457 71.48515       30.98956 
1 1 1 -5  13 4  o 337.7029 14.42293 26.84743       2.291171  28.54745       2.700711  22.48216       4.327681  348.1823 16.48930 307.0742 30.35760 41.10812       34.54679 
1 1 1 -5  13 5  o 445.3421 10.94324 46.67005       2.292499  45.51093       2.528618  52.02141       5.433165  439.7505 12.22384 469.0671 24.71060 -29.31659      27.56875 
1 1 1 -5  13 6  o 1526.251 17.91764 548.5586       12.86401  536.9673       15.07126  579.6671       24.69010  1509.668 21.22262 1566.540 33.50519 -56.87231      39.66103 
1 1 1 -5  13 7  o 623.1487 10.60339 91.36929       3.108176  89.95283       3.805702  94.20679       5.386408  618.2335 13.08618 632.5032 18.10369 -14.26971      22.33813 
1 1 1 -5  13 8  o 587.5974 13.86215 81.26327       3.831597  81.26327       3.831597  0.000000       0.000000  587.5974 13.86215 ?        ?        0.000000       13.86215 
1 1 1 -5  13 9  o 796.1084 11.02844 149.1318       4.130052  151.2810       5.951174  147.1350       5.736300  801.6439 15.78163 790.5983 15.42435 11.04559       22.06740 
1 1 1 -5  13 10 o 1115.937 13.04601 293.0810       6.848365  285.9938       9.563002  300.5418       9.811894  1102.021 18.44739 1129.701 18.46375 -27.68005      26.10012 
1 1 1 -5  13 11 o 299.2977 13.50864 21.08401       1.901885  28.16290       5.401908  20.08236       2.031991  343.6292 33.85849 291.7021 14.85776 51.92712       36.97500 
1 1 1 -5  13 12 o 346.4824 12.55564 28.25458       2.046395  30.03236       3.508223  27.33771       2.519425  356.3866 21.01955 340.7505 15.71794 15.63614       26.24643 
1 1 1 -5  13 13 o 421.9391 13.54508 41.90869       2.688442  41.29013       5.044044  42.15414       3.177378  417.5614 25.80615 423.1037 15.96441 -5.542267      30.34501 
1 1 1 -5  13 14 o 620.3923 12.29399 90.59530       3.587803  93.37257       5.554572  88.60709       4.699731  629.5090 18.75769 613.3691 16.28853 16.13989       24.84285 
1 1 1 -5  13 15 o 517.8423 17.27424 63.17907       4.207904  62.12936       4.812457  66.58740       8.671688  513.3781 19.92784 529.0925 35.04033 -15.71442      40.31059 
1 1 1 -5  13 16 o 506.0449 14.94767 60.31842       3.558213  54.89882       4.769232  67.12248       5.343785  482.4331 21.01561 533.4244 21.29643 -50.99130      29.91979 
1 1 1 -5  13 17 o 104.5042 37.08297 2.245337       2.286144  1.895600       3.508817  2.503319       3.013589  114.5944 44.83827 114.9533 42.33303 -0.3589478     61.66488 
1 1 1 -5  13 18 o 666.3388 16.67930 104.6966       5.228080  103.1807       10.04761  105.2594       6.122125  659.1821 32.40322 667.8180 19.48833 -8.635864      37.81222 
1 1 1 -5  13 19 o 898.4767 16.44045 190.4462       6.948479  178.2699       11.42461  197.5946       8.753640  866.7798 28.01968 914.4457 20.34986 -47.66595      34.62975 
1 1 1 -5  13 20 o 108.5277 38.94537 2.413824       2.528288  -1.297651      3.715794  5.613418       3.450054  93.82979 41.76680 151.2700 45.09155 -57.44019      61.46310 
1 1 1 -5  13 21 o 198.8431 31.18505 9.668097       2.820992  12.16281       4.253725  7.709476       3.769070  220.6068 42.53215 174.7969 45.42357 45.80986       62.22769 
1 1 1 -5  13 22 o 488.5258 21.38936 56.65907       4.915351  51.12961       7.485754  60.85018       6.517175  459.3180 34.90717 504.0020 27.59372 -44.68405      44.49634 
1 1 1 -5  13 23 o 588.6045 17.94324 82.13467       4.968140  82.29552       6.613126  81.92628       7.527340  587.3777 23.93426 584.8074 27.36273 2.570313       36.35337 
1 1 1 -5  13 24 o 300.4092 29.96253 21.98626       4.177611  19.82732       4.778605  28.98633       8.604626  282.6544 36.81345 331.9541 57.16708 -49.29974      67.99489 
1 1 1 -5  13 25 o 308.8602 32.37407 23.48153       4.633660  0.000000       0.000000  23.48153       4.633660  ?        ?        308.8602 32.37407 0.000000       32.37407 
1 1 1 -5  13 26 o 120.1805 42.11644 3.353745       2.941377  9.619050       4.530195  -1.212482      3.867449  189.4314 50.07786 94.10582 42.19655 95.32558       65.48543 
1 1 1 -5  13 27 o 88.03123 38.25163 -0.1251828     2.948455  2.223665       4.367407  -2.092211      3.996700  120.9295 49.11179 90.82121 41.57639 30.10831       64.34721 
1 1 1 -5  13 28 o 342.4064 22.99148 28.42352       3.681724  25.15664       5.288946  31.49491       5.128260  315.0983 36.34909 356.3444 30.89949 -41.24612      47.70781 
1 1 1 -5  13 29 o 433.0932 20.81138 45.21061       4.239861  42.74889       5.867984  47.89962       6.132924  414.6388 30.29468 439.3498 29.85190 -24.71100      42.53120 
1 1 1 -5  13 30 o 211.3074 41.72511 12.00312       4.000278  5.716410       6.984899  15.07149       4.879801  153.9097 62.24736 234.5360 45.87399 -80.62628      77.32501 
1 1 1 -5  13 31 o 221.5805 35.43525 12.89969       3.569031  17.68431       5.998824  10.27811       4.440424  245.1049 53.52838 188.2219 49.49364 56.88304       72.90341 
1 1 1 -5  13 32 o 152.1589 44.87682 6.697281       3.431551  9.182522       5.993896  5.485540       4.185331  167.8640 59.99382 138.7093 50.06852 29.15465       78.14163 
1 1 1 -5  13 33 o 109.1313 48.27256 1.193520       4.887662  1.193520       4.887662  0.000000       0.000000  109.1313 48.27256 ?        ?        0.000000       48.27256 
1 1 1 -5  13 34 o 93.22099 41.00591 0.7541300      3.479987  -0.5511296     4.603323  2.494947       5.316178  95.88730 44.16165 114.8066 50.58540 -18.91932      67.15009 
1 1 1 -5  15 1  o 942.8428 11.15821 209.1642       4.948837  214.2533       7.075305  204.2897       6.924555  954.0582 15.76526 931.6088 15.80116 22.44940       22.32084 
1 1 1 -5  15 2  o 1249.062 18.79396 367.3585       11.04261  0.000000       0.000000  367.3585       11.04261  ?        ?        1249.062 18.79396 0.000000       18.79396 
1 1 1 -5  15 3  o 544.7593 9.785041 69.82007       2.507475  70.30489       3.551638  69.33826       3.540598  546.5652 13.81393 542.7936 13.86668 3.771606       19.57319 
1 1 1 -5  15 4  o 860.5992 13.33206 174.2957       5.397186  167.6055       6.296115  192.8359       10.48115  843.8216 15.86181 904.5979 24.63110 -60.77631      29.29656 
1 1 1 -5  15 5  o 1518.804 17.99896 543.1189       12.85933  551.2332       15.68094  526.4567       22.47054  1529.737 21.79144 1493.649 31.98127 36.08740       38.69972 
1 1 1 -5  15 6  o 659.0594 13.36548 102.2219       4.143607  100.2675       4.819759  107.7586       8.112341  652.6558 15.69899 676.1472 25.50561 -23.49139      29.94986 
1 1 1 -5  15 7  o 456.3138 11.51449 48.99638       2.471596  48.57513       2.682182  51.36742       6.363385  454.3285 12.55015 465.7426 29.19264 -11.41409      31.77604 
1 1 1 -5  15 8  o 1357.559 16.21076 433.8788       10.35217  433.8788       10.35217  0.000000       0.000000  1357.559 16.21076 ?        ?        0.000000       16.21076 
1 1 1 -5  15 9  o 566.9565 12.70532 75.64971       3.388477  79.96653       4.096023  66.29014       6.031262  582.8394 14.93978 530.2969 24.17797 52.54248       28.42132 
1 1 1 -5  15 10 o 700.1364 11.03607 115.3510       3.634681  119.1159       5.351191  112.1264       4.952375  711.2750 15.99350 690.1240 15.25517 21.15100       22.10232 
1 1 1 -5  15 11 o 528.6107 10.71819 65.75559       2.665181  71.16341       4.283185  62.33885       3.404571  549.7235 16.56354 514.5992 14.06449 35.12433       21.72926 
1 1 1 -5  15 12 o 359.8021 11.91296 30.46955       2.016289  30.44586       3.518461  30.48114       2.460349  358.7960 20.93756 359.8099 14.53632 -1.013947      25.48894 
1 1 1 -5  15 13 f 430.6775 11.93595 43.65931       2.418123  41.94548       3.982021  44.66053       3.043568  421.8444 20.06697 435.4960 14.85695 -13.65161      24.96823 
1 1 1 -5  15 14 o 310.9097 14.56535 22.76494       2.130221  24.52354       3.665643  21.86819       2.617591  321.4027 24.42834 304.0555 18.38769 17.34720       30.57534 
1 1 1 -5  15 15 o 340.1544 14.79647 27.25545       2.367573  22.98979       3.710385  30.18513       3.074936  310.8940 25.59849 357.3554 18.35416 -46.46136      31.49854 
1 1 1 -5  15 16 f 668.8940 12.94990 105.3778       4.074675  108.8811       6.155153  102.6449       5.436459  679.3578 19.26065 659.7884 17.51629 19.56940       26.03446 
1 1 1 -5  15 17 o 307.8758 17.45976 22.43209       2.518209  23.51010       3.996931  21.72252       3.242749  313.8458 27.34656 302.2607 22.97876 11.58511       35.71915 
1 1 1 -5  15 18 o 415.9898 15.64844 40.81944       3.062126  33.68728       4.514351  46.89752       4.167425  376.1293 25.66791 445.4887 19.88665 -69.35944      32.47030 
1 1 1 -5  15 19 o 423.0143 19.72382 42.32216       3.924780  35.31511       7.914662  44.60710       4.519621  379.5208 45.22356 433.3997 22.24383 -53.87885      50.39800 
1 1 1 -5  15 20 o 323.3438 19.15209 24.83044       2.900084  24.26402       4.408848  25.26245       3.850331  317.4276 29.87802 324.9810 25.38826 -7.553467      39.20791 
1 1 1 -5  15 21 o 399.2069 27.06541 38.21203       5.052522  38.21203       5.052522  0.000000       0.000000  399.2069 27.06541 ?        ?        0.000000       27.06541 
1 1 1 -5  15 22 o 127.7359 45.56093 3.565236       3.455211  1.981476       3.960170  8.614745       7.071209  118.1214 47.18662 187.4061 65.32246 -69.28465      80.58289 
1 1 1 -5  15 23 o 216.9646 28.60818 11.51245       2.848565  12.00899       4.138917  11.06559       3.926434  217.2869 42.01313 208.5605 41.48186 8.726395       59.04107 
1 1 1 -5  15 24 o 263.4667 25.01326 16.80735       3.062855  16.82669       4.509015  16.79078       4.173480  258.8857 38.17114 259.8663 35.03412 -0.9805908     51.81144 
1 1 1 -5  15 25 o 312.2590 25.63800 23.64996       3.732658  19.90488       7.066001  25.09956       4.396093  270.6938 57.27864 320.2027 29.51822 -49.50894      64.43732 
1 1 1 -5  15 26 o 216.7204 30.28273 11.66407       3.002864  10.19197       4.426767  12.91883       4.086942  195.2062 48.43862 224.0993 40.24865 -28.89305      62.97820 
1 1 1 -5  15 27 o 112.9783 47.51868 1.211950       4.289824  0.000000       0.000000  1.211950       4.289824  ?        ?        112.9783 47.51868 0.000000       47.51868 
1 1 1 -5  15 28 o 304.9264 29.65726 23.07528       4.200150  19.40664       4.842617  34.21522       8.438572  274.5595 38.55796 354.4373 52.17370 -79.87787      64.87535 
1 1 1 -5  15 29 o 77.20722 35.42108 -1.609621      2.922653  -0.4892477E-01 4.361733  -2.881350      3.937289  104.2112 45.87252 85.11556 39.75908 19.09563       60.70480 
1 1 1 -5  15 30 o 405.6649 26.33164 40.79027       4.997579  32.16409       6.847193  50.62426       7.310856  345.7805 43.02673 443.2868 35.35421 -97.50629      55.68859 
1 1 1 -5  15 31 o 174.3729 49.91949 9.008664       4.302955  0.000000       0.000000  9.008664       4.302955  ?        ?        174.3729 49.91949 0.000000       49.91949 
1 1 1 -5  15 32 o 212.1445 40.51041 12.60693       3.895221  6.762783       5.097857  20.80559       6.038075  147.9369 54.94829 262.8428 50.67222 -114.9059      74.74616 
1 1 1 -5  15 33 o 103.4701 43.05928 2.085355       3.466692  -3.014269      4.509581  9.453032       5.420413  86.31880 40.99507 163.6851 57.18381 -77.36633      70.36039 
1 1 1 -5  17 1  o 770.6071 10.48486 139.7216       3.800713  141.3159       5.294828  138.0269       5.458969  774.8613 14.52642 765.7673 15.15460 9.093994       20.99235 
1 1 1 -5  17 2  o 1180.070 14.73283 327.7720       8.178307  337.6949       10.38061  311.5339       13.27918  1197.553 18.42718 1149.724 24.55322 47.82996       30.69888 
1 1 1 -5  17 3  o 727.7381 10.41891 124.6095       3.566702  124.4405       5.014908  124.7825       5.073764  727.1118 14.66197 728.1049 14.81382 -0.9930420     20.84281 
1 1 1 -5  17 4  o 1496.988 15.49483 527.5249       10.91125  512.7345       15.02885  544.0107       15.86690  1475.259 21.65650 1519.524 22.19807 -44.26514      31.01223 
1 1 1 -5  17 5  o 662.7585 12.77711 103.3733       3.983431  100.0972       4.519661  114.7741       8.431385  652.1081 14.73387 697.7194 25.68910 -45.61133      29.61447 
1 1 1 -5  17 6  o 1802.518 20.64325 765.4233       17.50359  757.6991       20.74948  784.4828       32.59376  1792.790 24.60415 1821.295 38.04388 -28.50488      45.30674 
1 1 1 -5  17 7  o 176.8479 16.15998 7.424986       1.329487  6.989656       1.379252  13.13318       4.994405  171.4115 17.34414 231.1081 47.52777 -59.69659      50.59356 
1 1 1 -5  17 8  o 1238.704 16.14179 361.2885       9.405640  355.5315       10.87187  378.4185       18.75356  1228.552 18.81229 1265.769 31.49635 -37.21680      36.68681 
1 1 1 -5  17 9  o 586.4527 10.70229 80.93411       2.952425  81.83865       3.173751  75.11891       8.047134  589.6988 11.44125 563.1331 30.49172 26.56567       32.56758 
1 1 1 -5  17 10 o 1331.762 15.23828 417.6281       9.546230  385.4173       11.95626  474.2723       15.85521  1278.861 19.87480 1418.045 23.76910 -139.1838      30.98351 
1 1 1 -5  17 11 o 410.6057 13.51333 39.69346       2.610098  39.98497       3.534925  39.34401       3.870302  411.9433 18.24204 408.5477 20.13876 3.395569       27.17245 
1 1 1 -5  17 12 o 498.4574 15.97939 58.52807       3.746774  0.000000       0.000000  58.52807       3.746774  ?        ?        498.4574 15.97939 0.000000       15.97939 
1 1 1 -5  17 13 o 679.8767 13.89733 108.8614       4.444580  97.53271       8.726387  112.8297       5.164673  642.1215 28.89003 692.0186 15.86557 -49.89709      32.95982 
1 1 1 -5  17 14 o 629.5325 11.90215 93.31750       3.524624  91.96311       5.461756  94.28407       4.613952  624.4428 18.59389 632.5369 15.50665 -8.094116      24.21134 
1 1 1 -5  17 15 o 444.6907 12.56852 46.57969       2.629126  41.90405       4.339511  49.29126       3.304693  420.5729 22.01114 457.2845 15.36298 -36.71158      26.84235 
1 1 1 -5  17 16 o 178.6149 38.37973 7.908531       3.128606  8.417435       3.535837  6.073127       6.714913  183.8669 41.82420 172.5098 63.24223 11.35710       75.82113 
1 1 1 -5  17 17 o 423.9521 13.97330 42.38158       2.786667  41.80392       4.483179  42.74529       3.557379  419.5609 22.80109 425.4336 17.77579 -5.872681      28.91139 
1 1 1 -5  17 18 o 121.4202 34.91317 3.614082       2.100605  -3.971463      4.248396  6.068669       2.416689  88.16072 41.22073 156.3528 33.84033 -68.19203      53.33213 
1 1 1 -5  17 19 o 486.6407 14.84197 55.92082       3.397576  50.66672       5.185215  59.87383       4.497610  461.1469 23.98610 502.9117 19.01169 -41.76471      30.60682 
1 1 1 -5  17 20 o 566.5800 14.72527 75.84727       3.924585  72.21999       5.895337  78.73415       5.259353  551.1348 22.73953 576.2992 19.40059 -25.16437      29.89095 
1 1 1 -5  17 21 o 700.9868 14.64256 116.1837       4.828322  110.6922       7.067636  120.9896       6.611700  681.9608 22.03157 713.8245 19.69030 -31.86365      29.54823 
1 1 1 -5  17 22 o 359.3034 17.91064 30.64203       3.027204  30.15834       4.732904  30.97691       3.938077  352.8555 28.76453 359.3814 23.42284 -6.525940      37.09484 
1 1 1 -5  17 23 o 432.1045 23.08972 44.79376       4.676291  46.32162       5.433297  40.42807       9.184356  438.0872 26.48993 396.2320 50.41730 41.85526       56.95279 
1 1 1 -5  17 24 o 462.4947 17.66558 50.87458       3.843297  48.61351       5.824920  52.61782       5.114583  447.6602 27.79867 468.4676 23.20927 -20.80731      36.21376 
1 1 1 -5  17 25 o 289.6970 23.12954 20.27639       3.125679  12.12063       4.553021  27.54644       4.298692  214.5496 46.45875 336.2432 27.41642 -121.6936      53.94511 
1 1 1 -5  17 26 o 294.2090 25.22044 21.07051       3.456679  20.94870       4.756099  21.20690       5.032574  288.5531 35.80899 289.2514 37.89845 -0.6983032     52.13997 
1 1 1 -5  17 27 o 371.6779 20.34710 33.26130       3.543941  29.94759       5.088639  36.38237       4.938511  347.0466 31.51413 385.2071 27.43338 -38.16043      41.78195 
1 1 1 -5  17 28 o 208.4992 32.05783 11.03606       3.043493  12.23548       4.418269  9.953033       4.198438  212.4837 45.57063 190.3775 47.13226 22.10622       65.56014 
1 1 1 -5  17 29 o 79.46966 37.86951 -4.089641      3.913520  -5.109989      5.131124  -2.670630      6.051058  90.34142 43.13632 107.9413 50.03605 -17.59985      66.06322 
1 1 1 -5  17 30 o 195.1919 37.40675 10.20228       3.309618  8.326398       5.195661  11.48319       4.293374  166.0599 56.05339 201.1901 46.32308 -35.13025      72.71732 
1 1 1 -5  17 31 o 81.97680 36.64146 -0.4370024     2.891646  3.201546       4.504274  -2.987894      3.771436  121.2506 49.63005 80.27533 37.93640 40.97523       62.46849 
1 1 1 -5  17 32 f 152.7627 47.82439 7.210356       3.819578  9.366826       5.267213  4.818669       5.547041  166.1026 56.43623 132.4402 54.73726 33.66248       78.62070 
1 1 1 -5  19 1  o 1099.998 12.51089 284.7717       6.473655  288.7079       9.149090  280.8251       9.161185  1107.235 17.56583 1091.994 17.83455 15.24146       25.03257 
1 1 1 -5  19 2  o 230.7891 15.16865 12.59350       1.637593  13.06632       2.269343  12.07977       2.365458  234.5759 20.78100 225.2642 22.62904 9.311630       30.72333 
1 1 1 -5  19 3  o 698.2586 10.57994 114.7295       3.475113  118.2813       4.973054  111.3401       4.858068  708.8207 14.91480 687.7036 15.01734 21.11713       21.16534 
1 1 1 -5  19 4  o 325.0447 11.97697 24.86534       1.831300  24.86082       2.719356  24.86909       2.477241  324.3995 17.88952 324.9856 16.20447 -0.5861206     24.13751 
1 1 1 -5  19 5  o 404.2668 18.02953 38.49561       3.428639  39.53627       4.328008  36.74198       5.618287  408.9046 22.58833 393.2357 30.61385 15.66888       38.04524 
1 1 1 -5  19 6  o 719.8693 13.52927 121.9897       4.581391  123.8931       5.359567  116.8252       8.828237  725.3545 15.70761 703.5872 26.67392 21.76733       30.95524 
1 1 1 -5  19 7  o 838.5129 13.92214 165.5321       5.491426  171.1819       6.500776  151.4566       10.26077  852.5549 16.20965 800.9686 27.23298 51.58624       31.69208 
1 1 1 -5  19 8  o 469.3593 11.26435 51.84999       2.487028  51.84999       2.487028  0.000000       0.000000  469.3593 11.26435 ?        ?        0.000000       11.26435 
1 1 1 -5  19 9  o 273.9594 17.16022 17.75252       2.200298  19.93910       2.417472  7.196790       5.311569  290.3472 17.78578 175.4856 56.57037 114.8616       59.30042 
1 1 1 -5  19 10 o 1074.990 12.95098 272.0979       6.549021  264.9822       7.095589  313.0202       17.01619  1060.721 14.22060 1149.910 31.45785 -89.18872      34.52277 
1 1 1 -5  19 11 o 656.4515 15.07620 101.5243       4.655473  110.5232       6.650228  92.87601       6.519389  684.4265 20.65572 627.2692 22.09447 57.15729       30.24607 
1 1 1 -5  19 12 o 777.4526 12.90945 142.3618       4.721184  142.7188       6.376406  141.9287       7.023998  777.9807 17.42360 775.6069 19.25189 2.373718       25.96569 
1 1 1 -5  19 13 o 1251.179 32.30921 371.8788       19.01583  371.8788       19.01583  0.000000       0.000000  1251.179 32.30921 ?        ?        0.000000       32.30921 
1 1 1 -5  19 14 o 241.1337 16.97415 13.78651       1.913092  13.03250       3.336681  14.15577       2.335005  232.1072 31.36342 243.9089 20.54249 -11.80171      37.49211 
1 1 1 -5  19 15 o 527.6506 12.27707 65.60847       3.047267  61.01472       4.905901  68.49419       3.888324  507.9748 20.53087 538.8419 15.34023 -30.86710      25.62887 
1 1 1 -5  19 16 o 379.2295 12.91178 33.90744       2.303338  33.94947       4.112187  33.88822       2.780438  377.7428 23.25536 378.9115 15.59934 -1.168640      28.00270 
1 1 1 -5  19 17 o 317.6209 28.51696 24.23523       4.215309  28.84661       5.058565  13.75743       7.625114  346.0128 31.42151 230.3017 66.60458 115.7110       73.64429 
1 1 1 -5  19 18 o 446.4684 13.62104 47.05097       2.860687  45.86007       4.814811  47.70074       3.556480  438.6535 23.41864 449.1195 16.83407 -10.46597      28.84127 
1 1 1 -5  19 19 o 125.0619 31.19704 3.902676       1.829215  7.942199       3.531695  2.421731       2.138393  176.8109 42.89938 104.3783 35.94789 72.43266       55.96970 
1 1 1 -5  19 20 o 385.4149 18.50093 35.24008       3.354219  31.86683       7.381979  36.11772       3.765367  356.7065 44.99492 389.2497 20.63782 -32.54318      49.50214 
1 1 1 -5  19 21 o 426.9561 15.35712 43.16257       3.084340  38.63966       4.815189  46.30946       4.016479  400.8058 25.67434 441.3852 19.34454 -40.57932      32.14627 
1 1 1 -5  19 22 o 425.8150 15.80480 42.98095       3.165770  41.55976       4.978376  43.94580       4.101970  415.3592 25.60453 429.4818 20.30385 -14.12256      32.67780 
1 1 1 -5  19 23 o 126.8374 38.22254 4.029775       2.469053  9.765162       5.045061  2.223440       2.831290  191.3215 53.80506 107.7477 40.75693 83.57375       67.49898 
1 1 1 -5  19 24 o 379.5109 17.32617 34.26059       3.093115  31.41076       4.831757  36.23943       4.026243  358.7761 28.87386 388.3482 22.13153 -29.57208      36.38000 
1 1 1 -5  19 25 o 214.9370 26.84809 11.35398       2.655319  12.95407       4.246371  10.32658       3.402631  223.5499 41.92078 200.9341 37.37469 22.61584       56.16244 
1 1 1 -5  19 26 o 140.3372 38.58855 5.129410       2.626704  0.8932367      3.813372  8.953919       3.623349  105.6970 44.64735 183.9289 42.69940 -78.23197      61.77884 
1 1 1 -5  19 27 o 540.1600 16.60423 69.68182       4.219009  65.12400       6.154583  73.72237       5.794816  517.0369 25.30508 552.2405 22.30704 -35.20361      33.73354 
1 1 1 -5  19 28 o 289.5836 25.65964 20.70844       3.459177  21.57551       5.756483  20.21837       4.327702  282.8307 44.75717 281.6570 33.30883 1.173737       55.79142 
1 1 1 -5  19 29 o 102.1907 40.25874 2.012767       2.845655  1.711950       4.365703  2.234992       3.752316  113.0163 47.75703 111.7594 45.47028 1.256905       65.94149 
1 1 1 -5  19 30 f 97.18933 39.66869 1.566980       2.867387  -1.754459      4.330394  4.160289       3.826408  92.35014 42.63905 126.4231 47.47713 -34.07293      63.81353 
1 1 1 -5  21 1  o 1629.634 23.08314 626.4405       17.69515  626.4405       17.69515  0.000000       0.000000  1629.634 23.08314 ?        ?        0.000000       23.08314 
1 1 1 -5  21 2  o 956.7246 13.85658 215.5144       6.236090  219.5006       11.11194  213.6817       7.534458  964.4410 24.49317 952.4081 16.81743 12.03290       29.71096 
1 1 1 -5  21 3  o 1580.517 18.39179 588.6767       13.67390  579.0419       16.58908  609.0964       24.15050  1566.777 22.50846 1604.559 31.99639 -37.78259      39.12033 
1 1 1 -5  21 4  o 869.1346 13.09567 177.8507       5.354069  182.0749       9.253508  175.7248       6.564479  878.5363 22.39120 863.6949 16.15737 14.84131       27.61207 
1 1 1 -5  21 5  o 1076.092 15.33889 272.7582       7.764484  274.2513       9.241049  269.1736       14.31899  1078.708 18.21160 1067.069 28.52665 11.63928       33.84423 
1 1 1 -5  21 6  o 151.0881 16.27538 5.440713       1.138471  5.147889       1.167021  11.20690       5.178688  146.7971 17.22773 212.2244 52.22867 -65.42725      54.99663 
1 1 1 -5  21 7  o 319.2425 10.75978 23.99070       1.615822  23.99070       1.615822  0.000000       0.000000  319.2425 10.75978 ?        ?        0.000000       10.75978 
1 1 1 -5  21 8  o 600.1387 10.29859 84.78173       2.907360  85.41283       3.115631  80.52914       8.087682  602.3334 10.99613 582.4054 29.61851 19.92798       31.59384 
1 1 1 -5  21 9  o 628.2440 10.70617 92.92274       3.163964  90.84293       3.361246  109.0963       9.373281  621.1263 11.50406 678.5594 29.36530 -57.43304      31.53830 
1 1 1 -5  21 10 o 432.8918 14.78954 44.16650       3.011642  42.37029       3.295391  53.26992       7.418743  423.8892 16.52666 472.2402 33.61575 -48.35095      37.45864 
1 1 1 -5  21 11 o 398.8407 16.09075 37.51589       3.018875  35.79784       3.305127  46.16528       7.415884  389.4657 18.04054 438.5837 36.27071 -49.11807      40.50957 
1 1 1 -5  21 12 o 579.8702 11.64873 79.21125       3.177451  80.02790       3.403243  73.66232       8.871186  582.7892 12.41401 554.8673 34.15372 27.92194       36.33985 
1 1 1 -5  21 13 o 460.0243 16.94602 49.95985       3.667058  52.49492       4.112856  40.13080       8.098508  471.3774 18.54836 406.0880 43.05167 65.28937       46.87737 
1 1 1 -5  21 14 o 182.2189 38.49090 8.265499       3.195870  4.887040       5.560929  9.931632       3.905196  155.5744 57.46796 199.2017 42.94037 -43.62729      71.73871 
1 1 1 -5  21 15 o 439.3866 13.12933 45.53641       2.713681  50.50698       4.427876  42.54641       3.434216  461.8297 20.38188 424.2874 17.20672 37.54233       26.67381 
1 1 1 -5  21 16 o 280.8256 14.95961 18.67768       1.969056  13.47878       3.611916  20.87613       2.348769  234.7065 33.67991 296.6665 16.90067 -61.96001      37.68248 
1 1 1 -5  21 17 o 326.2217 13.47961 25.12495       2.068518  21.12753       3.792841  26.81726       2.467832  296.1664 27.53997 336.8164 15.57590 -40.65002      31.63951 
1 1 1 -5  21 18 f 79.97949 36.05422 -1.333522      2.866192  -1.862162      3.203710  0.7862664      6.415333  82.27135 37.49398 134.5943 57.42195 -52.32295      68.57900 
1 1 1 -5  21 19 o 152.3805 24.19353 5.673507       1.676240  1.915486       3.437356  6.846017       1.920010  111.9781 44.20467 167.4895 25.14612 -55.51137      50.85646 
1 1 1 -5  21 20 o 139.3966 26.71873 4.809592       1.688246  3.047583       3.454944  5.362286       1.934993  122.1907 45.26528 146.8462 29.04105 -24.65559      53.78037 
1 1 1 -5  21 21 o 129.9348 33.86858 4.258642       2.091221  9.114151       6.304124  3.658278       2.216740  187.1717 61.71318 121.3326 36.13898 65.83909       71.51603 
1 1 1 -5  21 22 o 418.3131 14.86836 41.45922       2.925728  38.90359       4.750590  43.02087       3.713557  401.7177 25.26829 425.2529 18.56409 -23.53513      31.35461 
1 1 1 -5  21 23 o 95.15187 34.72183 1.869361       2.020750  4.848733       3.659434  0.5623112      2.423804  140.2600 47.04377 86.38870 35.98223 53.87128       59.22700 
1 1 1 -5  21 24 o 292.8033 27.93172 20.98808       3.800529  19.63016       4.294064  25.89774       8.165007  280.8763 33.13813 307.2259 58.63668 -26.34961      67.35278 
1 1 1 -5  21 25 o 366.6252 19.07625 32.24264       3.278553  26.84332       4.423669  38.82283       4.883511  330.3041 28.75773 399.0741 26.15887 -68.76993      38.87536 
1 1 1 -5  21 26 o 410.4498 17.19504 40.26560       3.319958  32.85796       4.748977  47.34654       4.643073  365.1612 27.85706 442.1140 22.39865 -76.95285      35.74514 
1 1 1 -5  21 27 o 282.2813 25.81163 19.67765       3.389482  22.19976       6.449610  18.71529       3.984001  282.8030 50.32650 272.0034 31.73345 10.79956       59.49596 
1 1 1 -5  21 28 o 63.61210 30.38084 -2.978910      2.548394  -4.227111      3.993587  -2.121513      3.309879  79.56611 38.00914 79.41322 36.87982 0.1528931      52.96051 
1 1 1 -5  21 29 o 196.9090 33.71229 10.22707       3.010356  7.265161       4.833158  12.10448       3.847899  155.5670 54.01707 209.9115 40.43563 -54.34450      67.47506 
1 1 1 -5  23 1  o 322.4001 12.00612 24.47593       1.820820  27.85853       2.383133  19.73187       2.822262  343.8554 14.73340 288.3761 20.94808 55.47934       25.61045 
1 1 1 -5  23 2  o 430.6598 11.01216 43.66606       2.230880  47.07716       3.061366  39.80352       3.257655  446.9969 14.55933 410.8950 16.85407 36.10196       22.27182 
1 1 1 -5  23 3  o 482.6918 10.83350 54.85459       2.459846  54.64461       3.394594  55.08677       3.569485  481.5475 14.98578 483.4471 15.69594 -1.899567      21.70107 
1 1 1 -5  23 4  o 367.5341 23.10341 32.04519       3.973998  32.04519       3.973998  0.000000       0.000000  367.5341 23.10341 ?        ?        0.000000       23.10341 
1 1 1 -5  23 5  o 147.4328 34.63940 5.374093       2.361581  5.757140       2.759309  4.325209       4.566017  152.4871 38.47015 145.2430 52.31439 7.244110       64.93649 
1 1 1 -5  23 6  o 801.1533 10.85300 151.1357       4.090109  149.5633       4.417390  160.5827       10.82779  796.8936 11.78409 823.1658 27.96296 -26.27222      30.34455 
1 1 1 -5  23 7  o 181.9260 13.46191 7.841526       1.143869  7.683114       1.173596  10.85018       5.114596  180.0180 13.96843 207.8994 52.33496 -27.88138      54.16701 
1 1 1 -5  23 8  o 506.6626 10.12348 60.44598       2.412782  59.23744       2.530818  72.50298       7.993730  501.5371 10.72725 551.4666 30.93987 -49.92947      32.74675 
1 1 1 -5  23 9  f 627.2789 10.72842 92.67319       3.165672  92.91029       3.389310  91.05232       8.861727  628.0193 11.47279 618.7972 30.44393 9.222107       32.53395 
1 1 1 -5  23 10 o 181.8084 19.28184 7.898090       1.623873  8.449258       1.700388  2.184007       5.474939  188.0805 19.50267 136.2429 55.10727 51.83754       58.45653 
1 1 1 -5  23 11 o 600.2389 12.13400 84.91452       3.426080  84.91452       3.426080  0.000000       0.000000  600.2389 12.13400 ?        ?        0.000000       12.13400 
1 1 1 -5  23 12 o 407.4982 16.26564 39.21481       3.117928  40.03403       3.427571  35.28538       7.506729  411.5791 17.70369 379.8477 42.75515 31.73138       46.27552 
1 1 1 -5  23 13 o 415.9089 12.42384 40.79090       2.430656  40.11396       2.566767  46.67064       7.564681  412.3716 13.23209 438.9785 36.97783 -26.60690      39.27401 
1 1 1 -5  23 14 o 612.9273 11.16347 88.56406       3.218678  88.70585       3.721070  88.14275       6.414340  613.1812 12.90060 609.3557 22.37751 3.825439       25.82979 
1 1 1 -5  23 15 o 417.3802 16.44358 41.19785       3.228477  40.93462       4.077070  41.64042       5.286518  414.8244 20.96161 416.8307 27.10866 -2.006348      34.26760 
1 1 1 -5  23 16 o 533.2826 15.49894 67.24277       3.888021  66.70631       5.973567  67.63707       5.121286  529.2093 23.99590 533.8173 20.39469 -4.608032      31.49200 
1 1 1 -5  23 17 o 116.1205 31.71729 3.352091       1.781484  0.5467756E-02  3.102677  4.998033       2.175908  92.67437 39.74539 141.1904 33.30173 -48.51598      51.85268 
1 1 1 -5  23 18 o 320.2147 14.19323 24.24038       2.137922  20.35855       3.666932  26.23941       2.631442  290.2995 27.16862 332.3867 16.88534 -42.08716      31.98826 
1 1 1 -5  23 19 o 124.5552 42.47369 3.600644       2.983461  3.139384       3.309231  5.603449       6.895622  121.9788 44.44527 164.9794 63.31626 -43.00056      77.35846 
1 1 1 -5  23 20 o 321.1944 14.58808 24.41932       2.204121  25.76019       4.220334  23.91641       2.584616  326.0993 27.77707 316.9822 17.40029 9.117126       32.77707 
1 1 1 -5  23 21 f 269.5744 16.45702 17.30774       2.076893  15.37837       3.873938  18.08597       2.460358  248.9737 33.96336 274.9974 19.13884 -26.02368      38.98468 
1 1 1 -5  23 22 o 172.9523 60.54177 7.642688       6.077143  7.642688       6.077143  0.000000       0.000000  172.9523 60.54177 ?        ?        0.000000       60.54177 
1 1 1 -5  23 23 o 201.8415 22.52331 9.897696       2.102046  7.956431       3.636688  10.87167       2.575947  173.7043 44.35236 210.3865 26.62444 -36.68219      51.72999 
1 1 1 -5  23 24 o 106.3476 36.30875 2.672630       2.180259  3.069514       3.457074  2.410523       2.809415  120.0462 45.11882 108.3053 40.67985 11.74091       60.74996 
1 1 1 -5  23 25 o 104.1641 39.88498 2.136752       2.732379  1.322235       3.105108  4.931630       5.751856  100.5139 41.18203 147.1084 57.45001 -46.59453      70.68566 
1 1 1 -5  23 26 o 123.6604 35.00578 3.993773       2.128240  3.335702       2.969680  4.688634       3.051563  117.7741 42.21408 133.3145 42.86821 -15.54041      60.16405 
1 1 1 -5  23 27 o 90.28548 36.46106 1.248959       2.392664  -1.943520      3.789140  3.366067       3.085661  86.62051 39.95568 117.6398 42.90953 -31.01925      58.63176 
1 1 1 -5  25 2  o 329.5203 14.51435 25.60074       2.249826  26.33729       2.508466  22.57135       5.087257  334.1428 15.95904 305.4816 36.09993 28.66119       39.47020 
1 1 1 -5  25 3  o 710.9547 11.03801 119.0538       3.691494  120.6890       5.161743  117.3420       5.281437  715.3451 15.33951 705.2816 15.91916 10.06348       22.10702 
1 1 1 -5  25 4  o 452.2858 11.06688 48.18457       2.354548  45.37292       3.239100  51.33492       3.428647  438.5633 15.70084 466.4945 15.62453 -27.93127      22.15044 
1 1 1 -5  25 5  o 252.0464 21.23742 15.13110       2.494515  17.56790       2.911623  8.406659       4.836747  271.4438 23.01961 183.6475 53.02773 87.79639       57.80867 
1 1 1 -5  25 6  o 553.2993 10.26482 72.10399       2.671658  72.10399       2.671658  0.000000       0.000000  553.2993 10.26482 ?        ?        0.000000       10.26482 
1 1 1 -5  25 7  o 170.4836 13.15938 6.892946       1.047161  7.097402       1.072014  2.636148       4.891500  172.9968 13.27449 133.7173 52.74952 39.27948       54.39415 
1 1 1 -5  25 8  o 423.4401 13.75179 42.28819       2.739180  44.31809       3.035355  33.38288       6.357657  433.3812 14.88916 371.3575 36.88239 62.02371       39.77433 
1 1 1 -5  25 9  o 626.0670 10.97294 92.36127       3.231567  91.13132       3.458223  100.8324       9.075616  621.7913 11.82331 650.3408 29.66647 -28.54950      31.93571 
1 1 1 -5  25 10 o 840.5294 11.36649 166.5209       4.494159  167.1518       4.861407  162.8121       11.78681  841.9715 12.27426 825.7595 30.34403 16.21198       32.73251 
1 1 1 -5  25 11 o 697.3056 11.89083 114.6468       3.900358  117.5410       4.269792  100.0595       9.585793  705.9045 12.85853 646.6326 31.51382 59.27185       34.03620 
1 1 1 -5  25 12 o 313.2273 12.71231 23.14552       1.873067  23.14552       1.873067  0.000000       0.000000  313.2273 12.71231 ?        ?        0.000000       12.71231 
1 1 1 -5  25 13 o 516.3851 11.40919 62.87901       2.771391  62.90604       2.940041  62.66350       8.302049  516.4128 12.10283 508.9523 34.88735 7.460541       36.92703 
1 1 1 -5  25 14 o 598.9427 15.12766 84.77851       4.262127  84.78583       4.782992  84.75031       9.391967  598.5965 16.98620 592.3154 33.84855 6.281067       37.87156 
1 1 1 -5  25 15 o 160.0554 26.03992 6.265924       1.893154  6.194710       1.990487  6.941142       6.129094  158.7623 27.65798 172.2435 60.76141 -13.48126      66.76012 
1 1 1 -5  25 16 o 276.8813 15.59038 18.19156       2.022314  20.65731       2.266923  8.579996       4.475679  294.9719 16.40235 182.5845 50.43957 112.3873       53.03949 
1 1 1 -5  25 17 o 401.4509 22.62099 38.51745       4.254416  47.23544       7.709997  34.70079       5.101383  438.8023 37.71880 379.0802 28.82393 59.72211       47.47133 
1 1 1 -5  25 18 o 227.2477 24.92167 12.49525       2.620358  15.22828       3.405972  8.531510       4.101763  249.8270 29.55502 181.5251 47.49002 68.30188       55.93569 
1 1 1 -5  25 19 o 498.9920 14.45681 58.93773       3.393403  69.47087       6.417683  54.84993       3.998012  538.2158 25.34851 480.6199 17.68370 57.59595       30.90729 
1 1 1 -5  25 20 o 389.9340 24.74722 36.64210       4.515760  36.64210       4.515760  0.000000       0.000000  389.9340 24.74722 ?        ?        0.000000       24.74722 
1 1 1 -5  25 21 o 344.2357 30.99022 29.09334       4.964427  29.09334       4.964427  0.000000       0.000000  344.2357 30.99022 ?        ?        0.000000       30.99022 
1 1 1 -5  25 22 o 296.9166 15.45458 21.00304       2.151086  14.90009       3.588905  24.42472       2.687274  244.5954 31.95595 319.5615 17.94942 -74.96609      36.65194 
1 1 1 -5  25 23 o 112.3316 34.17840 3.176534       1.967284  8.718788       5.511226  2.367217       2.106029  177.4759 57.66259 101.6905 35.63755 75.78547       67.78650 
1 1 1 -5  25 24 o 100.5863 43.50853 0.3020023      3.779982  -3.965518      5.498507  4.126041       5.204968  99.39675 46.60778 138.4712 54.48069 -39.07447      71.69680 
1 1 1 -5  25 25 o 108.4721 44.91993 1.624283       3.746351  8.504757       5.394426  -4.785969      5.206833  171.4080 57.11467 92.53993 43.97916 78.86804       72.08503 
1 1 1 -5  27 1  o 307.0647 12.60513 22.22780       1.820734  22.50052       2.356422  21.82376       2.868159  308.2784 16.30752 303.0498 20.23597 5.228607       25.98903 
1 1 1 -5  27 2  o 386.1968 14.09227 35.18169       2.560112  35.28325       2.915344  34.83948       5.351585  386.5892 16.03138 381.2162 30.08752 5.372986       34.09199 
1 1 1 -5  27 3  o 102.9440 33.13031 2.471079       1.822355  5.853151       3.340764  1.038404       2.174344  153.6271 43.98700 88.58812 35.09842 65.03897       56.27394 
1 1 1 -5  27 4  o 165.6980 20.80717 6.600139       1.586044  4.453644       2.231106  8.793040       2.255095  133.9240 35.01921 190.7126 25.79940 -56.78865      43.49660 
1 1 1 -5  27 5  o 196.7516 24.96474 9.335723       2.258554  9.110483       2.497932  10.34483       5.287207  193.6582 28.25232 201.6512 54.45916 -7.992996      61.35139 
1 1 1 -5  27 6  o 278.5595 10.23508 18.28116       1.341154  18.56234       1.382799  13.82283       5.506282  280.6825 10.47308 233.2883 51.54927 47.39415       52.60240 
1 1 1 -5  27 7  o 267.9950 10.02402 16.92051       1.263682  16.53770       1.291791  25.43104       6.090851  264.9308 10.36550 321.9600 41.15872 -57.02917      42.44389 
1 1 1 -5  27 8  o 562.0787 20.86784 74.86048       5.517521  74.55411       7.304481  75.26755       8.419727  559.3396 27.76160 559.9180 32.10117 -0.5783691     42.44045 
1 1 1 -5  27 9  o 315.0687 29.36931 23.89904       4.302632  29.35791       5.921712  17.79429       6.262239  347.3641 36.80087 264.6908 52.14954 82.67328       63.82694 
1 1 1 -5  27 10 o 148.3109 46.45032 5.364357       3.602820  3.599881       4.522194  8.430441       5.961198  137.1097 51.58942 184.7197 59.96815 -47.60999      79.10529 
1 1 1 -5  27 11 o 138.0656 48.46770 4.236574       3.896200  -1.079073      4.745449  15.23187       6.825001  108.0140 47.68233 241.6721 60.24640 -133.6580      76.83250 
1 1 1 -5  27 12 o 271.0329 33.13732 17.90403       4.136834  15.87099       5.181689  21.47741       6.869700  251.1169 45.54296 290.5419 52.18222 -39.42497      69.26142 
1 1 1 -5  27 13 o 168.3374 48.18899 7.182734       4.009896  11.99465       5.162262  -0.1374554     6.367108  215.7189 51.57156 129.8871 56.32486 85.83185       76.36829 
1 1 1 -5  27 14 o 83.79646 27.27833 1.625351       1.233155  1.949994       1.259481  -5.897741      6.062981  90.00760 27.33864 102.9184 48.47331 -12.91079      55.65126 
1 1 1 -5  27 15 o 161.6325 20.35477 6.302178       1.513298  6.101870       1.561740  9.381690       6.123499  158.7803 21.45921 190.9520 60.65499 -32.17165      64.33914 
1 1 1 -5  27 16 o 228.1417 24.16017 12.56504       2.553375  13.40457       2.782527  8.088586       6.425225  235.3749 25.54085 180.6290 62.30638 54.74594       67.33810 
1 1 1 -5  27 17 o 292.7467 15.43930 20.35285       2.118607  20.35285       2.118607  0.000000       0.000000  292.7467 15.43930 ?        ?        0.000000       15.43930 
1 1 1 -5  27 18 o 100.0331 42.59312 0.3516351      3.517149  2.798455       4.762069  -2.585018      5.217002  130.4402 51.85932 104.6623 47.75553 25.77783       70.49809 
1 1 1 -5  27 19 o 296.4279 33.41982 21.73090       4.578744  8.376933       5.811970  43.57907       7.434054  178.5903 59.27321 418.1476 38.21685 -239.5574      70.52547 
1 1 1 -5  27 20 o 123.2912 51.92268 1.433710       5.132442  0.000000       0.000000  1.433710       5.132442  ?        ?        123.2912 51.92268 0.000000       51.92268 
1 1 1 -5  27 21 o 176.9122 46.66797 8.373960       3.939737  2.873365       5.599509  13.76635       5.544162  134.9294 55.29480 224.0515 53.36670 -89.12210      76.84738 
1 1 1 -5  27 22 o 182.1615 46.04322 8.959756       3.947342  12.25327       5.940299  6.355530       5.282236  206.8940 58.45419 156.7430 56.28785 50.15103       81.14933 
1 1 1 -5  29 1  o 219.9070 16.08082 11.48124       1.651941  14.32911       2.206765  7.851198       2.491449  245.3567 19.27520 178.9541 30.70199 66.40263       36.25114 
1 1 1 -5  29 2  o 235.9447 15.63758 13.20214       1.725761  13.87944       2.304133  12.33669       2.604579  241.2557 20.49712 226.5858 24.84374 14.66992       32.20782 
1 1 1 -5  29 3  o 328.8080 12.89062 25.49755       1.993818  29.39811       2.751228  21.18309       2.893520  352.7520 16.58012 298.3556 20.74592 54.39642       26.55737 
1 1 1 -5  29 4  o 297.9963 12.27304 20.93851       1.720411  18.78257       2.222924  24.15876       2.716762  281.4284 16.86923 319.1088 18.17375 -37.68045      24.79629 
1 1 1 -5  29 5  o 330.2868 13.56875 25.73814       2.108145  25.73814       2.108145  0.000000       0.000000  330.2868 13.56875 ?        ?        0.000000       13.56875 
1 1 1 -5  29 6  o 334.9843 9.512453 26.43465       1.498947  26.78491       1.543736  20.65993       6.268213  337.1838 9.732784 287.2126 48.09550 49.97116       49.07040 
1 1 1 -5  29 7  o 127.1874 45.15437 3.480469       3.390047  3.094531       4.285190  4.126041       5.542219  131.0607 50.00470 148.9767 56.86135 -17.91602      75.72108 
1 1 1 -5  29 8  o 294.2029 45.37334 21.57253       6.077465  0.000000       0.000000  21.57253       6.077465  ?        ?        294.2029 45.37334 0.000000       45.37334 
1 1 1 -5  29 9  o 199.3472 41.62355 9.995914       3.777164  8.249109       4.765136  12.94887       6.195574  180.3449 52.79575 223.2125 58.35102 -42.86758      78.69074 
1 1 1 -5  29 10 o 461.9110 24.74973 50.95619       5.358163  56.53984       7.534761  45.24376       7.621152  483.7222 33.31659 430.7004 38.00608 53.02176       50.54164 
1 1 1 -5  29 11 o 553.7294 22.69618 72.92696       5.911800  68.99525       7.779798  78.29965       9.094376  535.1760 31.03640 568.8448 34.14478 -33.66882      46.14243 
1 1 1 -5  29 12 o 452.3007 24.12517 48.89967       5.114409  47.74078       6.852857  50.35672       7.684026  443.7947 33.06336 454.5148 36.24070 -10.72009      49.05685 
1 1 1 -5  29 13 o 367.9486 25.70611 32.51622       4.421355  35.01784       6.169654  29.87515       6.339276  378.6448 35.03568 347.7592 39.44979 30.88559       52.76158 
1 1 1 -5  29 14 o 174.4229 55.42628 7.752676       5.112879  0.000000       0.000000  7.752676       5.112879  ?        ?        174.4229 55.42628 0.000000       55.42628 
1 1 1 -5  29 15 o 235.4266 36.83878 13.83464       3.945965  17.56540       5.454542  9.738407       5.715473  262.1587 45.90336 192.1721 58.20873 69.98654       74.13080 
1 1 1 -5  29 16 o 274.4638 30.84179 18.46307       3.912987  21.90547       5.631542  15.24970       5.440975  294.6290 41.80590 241.6569 49.52795 52.97208       64.81320 
1 1 1 -5  29 17 o 318.3746 42.76408 25.73127       6.242593  0.000000       0.000000  25.73127       6.242593  ?        ?        318.3746 42.76408 0.000000       42.76408 
1 1 1 -5  29 18 o 261.5318 35.10088 17.11267       4.209300  9.319263       5.614025  27.11950       6.361495  185.5417 57.96276 326.1221 42.47571 -140.5804      71.86005 
1 1 1 -5  29 19 o 139.3038 47.66935 4.813755       3.758146  2.383175       5.365179  7.155173       5.265854  130.4689 53.87022 165.2642 56.42759 -34.79532      78.01330 
1 1 1 -5  31 1  o 102.5274 28.24960 2.586167       1.406053  2.106282       1.779365  3.383983       2.294287  96.95500 32.80266 118.7150 37.04879 -21.76000      49.48361 
1 1 1 -5  31 2  o 350.6861 12.52459 29.00964       2.066101  28.77907       2.853711  29.26365       2.995239  348.8187 17.39165 351.1890 18.19336 -2.370270      25.16879 
1 1 1 -5  31 3  f 557.0246 11.16492 73.14944       2.925495  78.20678       4.206535  68.41198       4.071326  575.3239 15.54328 538.0045 16.08721 37.31940       22.36944 
1 1 1 -5  31 4  o 218.3386 22.28848 11.43417       2.257083  11.74870       2.558437  10.32997       4.793603  220.7932 25.07803 200.8465 50.72462 19.94662       56.58529 
1 1 1 -5  31 5  o 198.4175 17.97342 9.393999       1.659359  9.270994       1.756091  10.41914       5.069663  196.9033 19.20385 201.2963 52.86153 -4.393051      56.24171 
1 1 1 -5  31 6  o 125.2873 44.31306 3.419506       3.261957  -0.2698871     4.404481  7.901309       4.854490  108.2740 46.89941 176.9006 53.65957 -68.62663      71.26643 
1 1 1 -5  31 7  o 155.4109 46.14970 6.045208       3.618989  11.34958       5.392181  1.697384       4.881836  209.3230 54.29928 125.7856 51.59826 83.53746       74.90522 
1 1 1 -5  31 8  o 300.2738 27.37623 21.72976       3.824378  21.83710       5.248008  21.60821       5.584651  297.6507 38.37539 294.9933 41.38390 2.657440       56.43844 
1 1 1 -5  31 9  o 299.6408 26.86652 21.63737       3.746658  17.75565       5.080978  26.26338       5.546756  266.5053 41.91345 327.1974 36.66860 -60.69208      55.68953 
1 1 1 -5  31 10 o 153.8311 52.57020 5.633175       4.570553  5.633175       4.570553  0.000000       0.000000  153.8311 52.57020 ?        ?        0.000000       52.57020 
1 1 1 -5  31 11 o 102.5545 42.41413 0.9279538      3.333790  1.621879       4.833218  0.2981570      4.604477  123.9522 51.15070 113.2318 48.48612 10.72036       70.47906 
1 1 1 -5  31 12 o 382.3221 24.65973 35.10778       4.411283  28.29965       6.002391  43.10345       6.504852  337.9855 38.43713 420.4166 33.16107 -82.43103      50.76485 
1 1 1 -5  31 13 o 422.4625 32.73566 43.57907       6.454675  0.000000       0.000000  43.57907       6.454675  ?        ?        422.4625 32.73566 0.000000       32.73566 
1 1 1 -5  31 14 o 213.4049 36.62552 11.45624       3.544286  14.22414       5.283412  9.191440       4.779188  232.8733 49.74222 186.3909 52.35043 46.48245       72.21396 
1 1 1 -5  31 15 o 129.8841 45.37630 3.947843       3.413071  8.409632       4.930752  -0.1565993     4.729179  178.0768 54.09350 110.6804 48.26461 67.39643       72.49538 
1 1 1 -5  33 6  o 156.8088 41.50474 6.250846       3.109393  11.52200       4.961650  2.841855       3.990123  210.6279 50.69010 125.2506 48.14135 85.37736       69.90762 
1 1 1 -5  33 7  o 327.6974 36.07051 26.40607       5.468186  0.000000       0.000000  26.40607       5.468186  ?        ?        327.6974 36.07051 0.000000       36.07051 
1 1 1 -5  33 8  o 190.0764 41.74533 9.220772       3.630418  11.25743       5.670610  7.806184       4.725909  206.2188 56.69553 174.1167 52.97299 32.10216       77.59202 
1 1 1 -5  33 9  o 281.4290 30.07844 19.31827       3.920260  20.27943       5.623638  18.40963       5.467817  283.1415 43.62342 269.0311 44.77990 14.11044       62.51594 
1 1 1 -5  33 10 o 278.4090 28.41879 18.86342       3.669662  17.98454       4.973337  19.91380       5.436974  267.1279 40.87889 280.6248 42.51913 -13.49683      58.98271 
1 1 1 -4  0  1  o 2386.460 31.29101 1342.695       35.11356  1342.695       35.11356  1342.695       35.11356  2386.460 31.29101 2386.460 31.29101 0.000000       0.000000 
1 1 1 -4  0  2  o 179.6243 8.253083 7.637668       0.6939967 7.637668       0.6939967 7.637668       0.6939967 179.6243 8.253083 179.6243 8.253083 0.000000       0.000000 
1 1 1 -4  0  3  o 213.0836 9.098596 10.73919       0.9082155 10.73919       0.9082155 10.73919       0.9082155 213.0836 9.098596 213.0836 9.098596 0.000000       0.000000 
1 1 1 -4  0  4  o 1462.103 28.57471 504.1617       19.63608  504.1617       19.63608  504.1617       19.63608  1462.103 28.57471 1462.103 28.57471 0.000000       0.000000 
1 1 1 -4  0  5  o 1188.936 17.33334 332.8759       9.689513  332.8759       9.689513  332.8759       9.689513  1188.936 17.33334 1188.936 17.33334 0.000000       0.000000 
1 1 1 -4  0  6  o 1019.132 16.01872 244.5869       7.675128  244.5869       7.675128  244.5869       7.675128  1019.132 16.01872 1019.132 16.01872 0.000000       0.000000 
1 1 1 -4  0  7  o 1359.645 19.98444 435.4111       12.77542  435.4111       12.77542  435.4111       12.77542  1359.645 19.98444 1359.645 19.98444 0.000000       0.000000 
1 1 1 -4  0  8  o 776.0997 14.99964 141.8898       5.471437  141.8898       5.471437  141.8898       5.471437  776.0997 14.99964 776.0997 14.99964 0.000000       0.000000 
1 1 1 -4  0  9  o 309.6288 17.70692 22.78414       2.559719  22.78414       2.559719  22.78414       2.559719  309.6288 17.70692 309.6288 17.70692 0.000000       0.000000 
1 1 1 -4  0  10 o 521.1425 15.87297 64.09600       3.883032  64.09600       3.883032  64.09600       3.883032  521.1425 15.87297 521.1425 15.87297 0.000000       0.000000 
1 1 1 -4  0  11 o 691.0847 23.51037 112.9310       7.622885  112.9310       7.622885  112.9310       7.622885  691.0847 23.51037 691.0847 23.51037 0.000000       0.000000 
1 1 1 -4  0  12 o 422.5684 18.82154 42.31446       3.724396  42.31446       3.724396  42.31446       3.724396  422.5684 18.82154 422.5684 18.82154 0.000000       0.000000 
1 1 1 -4  0  13 o 431.1545 19.80851 44.07554       3.998170  44.07554       3.998170  44.07554       3.998170  431.1545 19.80851 431.1545 19.80851 0.000000       0.000000 
1 1 1 -4  0  14 o 559.1702 25.57596 74.16766       6.695315  74.16766       6.695315  74.16766       6.695315  559.1702 25.57596 559.1702 25.57596 0.000000       0.000000 
1 1 1 -4  0  15 o 198.1357 41.38892 10.38492       3.399672  10.38492       3.399672  10.38492       3.399672  198.1357 41.38892 198.1357 41.38892 0.000000       0.000000 
1 1 1 -4  0  16 o 267.5565 30.14826 17.49980       3.670436  17.49980       3.670436  17.49980       3.670436  267.5565 30.14826 267.5565 30.14826 0.000000       0.000000 
1 1 1 -4  0  17 o 66.63777 43.87846 -0.6867019     3.506456  -0.6867019     3.506456  -0.6867019     3.506456  66.63777 43.87846 66.63777 43.87846 0.000000       0.000000 
1 1 1 -4  0  18 o 397.1283 25.38621 37.59944       4.697963  37.59944       4.697963  37.59944       4.697963  397.1283 25.38621 397.1283 25.38621 0.000000       0.000000 
1 1 1 -4  0  19 o 663.3224 21.28036 103.9250       6.624594  103.9250       6.624594  103.9250       6.624594  663.3224 21.28036 663.3224 21.28036 0.000000       0.000000 
1 1 1 -4  0  20 o 585.8817 22.98254 81.22923       6.311851  81.22923       6.311851  81.22923       6.311851  585.8817 22.98254 585.8817 22.98254 0.000000       0.000000 
1 1 1 -4  0  21 o 355.1560 29.16507 30.34595       4.796902  30.34595       4.796902  30.34595       4.796902  355.1560 29.16507 355.1560 29.16507 0.000000       0.000000 
1 1 1 -4  0  22 f 629.7530 23.34696 93.86750       6.894665  93.86750       6.894665  93.86750       6.894665  629.7530 23.34696 629.7530 23.34696 0.000000       0.000000 
1 1 1 -4  0  23 o 338.3796 34.87215 27.93695       5.415711  27.93695       5.415711  27.93695       5.415711  338.3796 34.87215 338.3796 34.87215 0.000000       0.000000 
1 1 1 -4  0  24 o 57.31348 41.72305 -14.29846      6.489493  -14.29846      6.489493  -14.29846      6.489493  57.31348 41.72305 57.31348 41.72305 0.000000       0.000000 
1 1 1 -4  0  25 f 474.6628 27.73118 53.86375       6.143514  53.86375       6.143514  53.86375       6.143514  474.6628 27.73118 474.6628 27.73118 0.000000       0.000000 
1 1 1 -4  0  26 o 309.8514 38.10427 23.89696       5.328662  23.89696       5.328662  23.89696       5.328662  309.8514 38.10427 309.8514 38.10427 0.000000       0.000000 
1 1 1 -4  0  27 o 97.48537 57.07503 2.859546       4.383373  2.859546       4.383373  2.859546       4.383373  97.48537 57.07503 97.48537 57.07503 0.000000       0.000000 
1 1 1 -4  0  28 o 230.2194 51.93792 14.60228       4.907048  14.60228       4.907048  14.60228       4.907048  230.2194 51.93792 230.2194 51.93792 0.000000       0.000000 
1 1 1 -4  0  29 o 74.62386 50.04700 -1.489111      4.926319  -1.489111      4.926319  -1.489111      4.926319  74.62386 50.04700 74.62386 50.04700 0.000000       0.000000 
1 1 1 -4  0  30 o 118.3345 62.76563 5.221711       4.701801  5.221711       4.701801  5.221711       4.701801  118.3345 62.76563 118.3345 62.76563 0.000000       0.000000 
1 1 1 -4  0  31 o 150.3094 64.24448 8.081390       4.634702  8.081390       4.634702  8.081390       4.634702  150.3094 64.24448 150.3094 64.24448 0.000000       0.000000 
1 1 1 -4  0  32 o 129.9131 69.68929 6.599287       5.856206  6.599287       5.856206  6.599287       5.856206  129.9131 69.68929 129.9131 69.68929 0.000000       0.000000 
1 1 1 -4  0  33 f 70.29919 47.08038 -1.055622      4.333240  -1.055622      4.333240  -1.055622      4.333240  70.29919 47.08038 70.29919 47.08038 0.000000       0.000000 
1 1 1 -4  0  34 o 97.62010 57.55719 3.282911       4.514159  3.282911       4.514159  3.282911       4.514159  97.62010 57.55719 97.62010 57.55719 0.000000       0.000000 
1 1 1 -4  0  35 o 147.0901 76.02467 9.485732       6.765100  9.485732       6.765100  9.485732       6.765100  147.0901 76.02467 147.0901 76.02467 0.000000       0.000000 
1 1 1 -4  0  36 o 66.11854 46.33395 -4.158740      5.434541  -4.158740      5.434541  -4.158740      5.434541  66.11854 46.33395 66.11854 46.33395 0.000000       0.000000 
1 1 1 -4  2  1  o 239.6859 6.609113 13.51442       0.7451694 13.53520       0.9209857 13.47503       1.268004  239.8595 8.162565 239.2980 11.26451 0.5614471      13.91102 
1 1 1 -4  2  2  o 135.4613 7.549588 4.330279       0.4791573 4.029624       0.6193780 4.778401       0.7561724 130.4703 10.17233 142.0414 11.41351 -11.57106      15.28870 
1 1 1 -4  2  3  o 552.0340 8.287462 71.69467       2.152071  74.49465       3.739663  70.30827       2.631469  562.5671 14.13152 546.6321 10.23372 15.93500       17.44789 
1 1 1 -4  2  4  f 334.5822 8.610284 26.33727       1.355157  24.80992       1.537382  31.65874       2.869644  324.7186 10.06481 366.6845 16.63666 -41.96594      19.44425 
1 1 1 -4  2  5  o 926.5775 10.33311 202.0153       4.503831  201.3242       6.332252  202.7229       6.407166  924.8010 14.55595 928.0015 14.67736 -3.200562      20.67125 
1 1 1 -4  2  6  o 159.9561 13.39815 6.064339       0.9988405 6.276669       1.476411  5.885135       1.356360  162.0368 19.78038 156.9630 18.74051 5.073807       27.24831 
1 1 1 -4  2  7  o 1250.036 15.21746 367.8583       8.948164  367.6221       11.03598  368.3116       15.28820  1249.336 18.77855 1249.711 26.00624 -0.3745117     32.07738 
1 1 1 -4  2  8  o 211.7018 17.02133 10.62187       1.680741  11.31986       3.044542  10.31591       2.015735  216.8328 30.70725 208.2026 20.86224 8.630219       37.12369 
1 1 1 -4  2  9  o 344.5644 11.91486 27.94260       1.931206  28.91221       2.789294  27.04984       2.676473  350.3739 16.92362 338.9051 16.78864 11.46881       23.83836 
1 1 1 -4  2  10 o 372.1975 12.47425 32.61117       2.184023  32.75558       3.164931  32.47988       3.017678  372.8425 18.04552 371.2983 17.27749 1.544159       24.98305 
1 1 1 -4  2  11 o 918.8011 12.28499 198.7864       5.309647  204.2102       7.691981  193.8498       7.338438  930.6866 17.56974 906.8149 17.20345 23.87177       24.58973 
1 1 1 -4  2  12 o 895.8014 12.55589 189.0341       5.290887  194.0539       7.667345  184.4710       7.310307  906.8759 17.97330 884.2624 17.57459 22.61353       25.13773 
1 1 1 -4  2  13 o 644.1742 12.40103 97.73988       3.757772  98.19810       5.342841  97.29133       5.286196  645.2111 17.60358 642.2364 17.49762 2.974670       24.82041 
1 1 1 -4  2  14 f 476.5270 14.12949 53.48513       3.167257  54.38422       4.481861  52.58818       4.476501  480.1835 19.84184 472.1668 20.15458 8.016632       28.28261 
1 1 1 -4  2  15 o 207.0756 28.81110 10.32199       2.730418  8.558265       4.564363  11.30485       3.407297  186.4580 50.70192 215.8867 34.72931 -29.42871      61.45576 
1 1 1 -4  2  16 o 1195.350 15.07486 336.4247       8.476525  337.0787       12.01282  335.7762       11.96258  1195.877 21.35448 1193.570 21.30628 2.307129       30.16573 
1 1 1 -4  2  17 o 513.8170 21.82069 62.23291       5.274075  64.59573       7.325999  59.69085       7.598814  522.1204 29.95347 501.5168 32.38302 20.60364       44.11202 
1 1 1 -4  2  18 o 802.0026 20.63600 151.6152       7.785217  164.5066       11.32671  140.0714       10.71837  834.5314 28.85307 769.9767 29.59252 64.55469       41.33058 
1 1 1 -4  2  19 o 1535.259 17.81813 555.4036       12.86806  541.4732       17.75307  570.8242       18.67854  1514.542 24.91857 1554.907 25.53695 -40.36536      35.68012 
1 1 1 -4  2  20 o 545.8546 18.36217 70.23993       4.714878  71.84126       5.860196  67.30083       7.939219  551.7198 22.58002 532.1608 31.86160 19.55902       39.05149 
1 1 1 -4  2  21 o 290.0884 27.04801 20.07829       3.648361  10.64209       5.883735  25.97288       4.650307  206.9635 58.07071 329.7325 30.32102 -122.7689      65.51009 
1 1 1 -4  2  22 o 137.5126 42.18015 4.534534       2.988420  6.742639       4.369121  2.593331       4.096563  166.7740 50.97602 126.4473 48.73172 40.32670       70.52188 
1 1 1 -4  2  23 o 218.3038 37.86755 11.71755       3.747660  9.589775       6.838140  12.63102       4.480468  198.6406 64.20286 225.4536 43.82565 -26.81296      77.73477 
1 1 1 -4  2  24 o 426.1988 23.23622 43.21687       4.640924  43.98039       5.640734  41.61713       8.164877  428.8341 28.11823 412.6685 42.67756 16.16562       51.10782 
1 1 1 -4  2  25 o 193.2068 37.04290 9.306667       3.244130  9.483436       4.458620  9.107800       4.729104  192.4786 49.08942 188.5342 51.75143 3.944427       71.33009 
1 1 1 -4  2  26 o 481.5787 22.31222 55.24948       5.054513  52.60408       6.205615  60.46374       8.712358  467.2805 28.36597 496.7827 37.55952 -29.50223      47.06747 
1 1 1 -4  2  27 o 191.3318 44.38718 9.482399       3.917654  18.30856       6.820539  5.136666       4.785907  261.5423 57.04434 148.9972 53.57057 112.5451       78.25511 
1 1 1 -4  2  28 o 196.4543 38.91795 9.904171       3.469329  6.638593       4.866554  13.27886       4.947185  160.8086 54.24922 223.9114 48.38186 -63.10278      72.68963 
1 1 1 -4  2  29 o 450.2339 24.24633 49.13482       5.116229  58.05589       9.625890  45.62235       6.040027  474.4314 43.62042 430.4136 30.02007 44.01779       52.95229 
1 1 1 -4  2  30 f 325.8196 52.10211 29.05173       7.716436  29.05173       7.716436  0.000000       0.000000  325.8196 52.10211 ?        ?        0.000000       52.10211 
1 1 1 -4  2  31 o 79.52576 36.89747 -2.229983      3.301391  0.4149975      4.654607  -4.907638      4.683270  109.7724 47.87523 86.51929 41.28345 23.25310       63.21677 
1 1 1 -4  2  32 o 383.1646 23.17646 35.95594       4.157703  37.52787       5.919117  34.42502       5.841413  383.7603 33.11319 366.4566 34.28489 17.30371       47.66484 
1 1 1 -4  2  33 o 228.3804 34.72876 13.70102       3.613377  13.28793       5.053787  14.13304       5.168312  212.3419 51.19331 219.3550 51.04631 -7.013107      72.29441 
1 1 1 -4  2  34 o 343.7905 29.13641 30.30080       4.667606  31.86683       7.948705  29.47660       5.766532  322.8643 54.26154 330.0839 37.82072 -7.219574      66.14169 
1 1 1 -4  2  35 o 226.3579 47.75812 15.62718       4.925340  22.44055       7.449588  10.33591       6.564946  250.2955 63.24615 166.2427 62.23533 84.05281       88.73169 
1 1 1 -4  2  36 o 137.6002 50.30141 6.393176       4.243711  7.767540       6.071331  5.080262       5.934052  143.4273 58.02487 128.0961 54.95218 15.33116       79.91637 
1 1 1 -4  4  1  o 838.5208 9.240101 165.4276       3.644684  167.2604       5.209230  163.6701       5.101190  843.0132 13.13620 833.9218 13.00400 9.091492       18.48415 
1 1 1 -4  4  2  o 508.4118 8.441056 60.81188       2.018746  63.02006       2.531640  56.95601       3.345382  517.5237 10.39926 491.9005 14.45770 25.62326       17.80926 
1 1 1 -4  4  3  o 1278.725 14.67586 384.9028       8.827751  355.8264       13.72297  405.4290       11.53007  1228.661 23.74362 1312.043 18.68161 -83.38257      30.21195 
1 1 1 -4  4  4  o 316.3444 7.255289 23.54220       1.079653  23.71212       1.541793  23.37871       1.512353  317.4513 10.32475 315.2131 10.19952 2.238190       14.51312 
1 1 1 -4  4  5  o 473.9590 9.611423 52.85353       2.142879  52.16515       2.500650  54.75625       4.157424  470.8307 11.29064 482.1904 18.32890 -11.35962      21.52736 
1 1 1 -4  4  6  o 241.0424 10.77204 13.67166       1.221408  12.35793       1.647833  15.27349       1.819569  228.5973 15.41402 254.2562 15.28445 -25.65892      21.70729 
1 1 1 -4  4  7  f 809.2228 10.28200 154.0853       3.913949  159.4512       5.747715  149.4457       5.344567  823.0020 14.84653 796.7894 14.25935 26.21259       20.58515 
1 1 1 -4  4  8  o 983.9587 11.68791 227.8538       5.409820  235.4917       7.873313  221.0227       7.445852  999.9964 16.73747 968.8170 16.33817 31.17944       23.38971 
1 1 1 -4  4  9  f 1027.522 12.25024 248.5180       5.921137  258.9392       8.742269  239.6858       8.048225  1048.401 17.72667 1008.741 16.96099 39.66071       24.53386 
1 1 1 -4  4  10 o 130.5551 43.45781 3.846611       3.123388  3.846611       3.123388  0.000000       0.000000  130.5551 43.45781 ?        ?        0.000000       43.45781 
1 1 1 -4  4  11 o 770.9442 14.31908 140.0533       5.192867  142.2633       6.422256  135.8799       8.825480  776.6368 17.57925 757.9711 24.75235 18.66571       30.35966 
1 1 1 -4  4  12 o 674.5196 14.46496 107.2315       4.589665  106.2129       5.520148  109.5125       8.260492  670.9897 17.48903 680.1291 25.81935 -9.139404      31.18501 
1 1 1 -4  4  13 f 267.9930 19.87968 17.03885       2.488258  19.79965       3.276265  13.27586       3.824967  288.4305 24.37555 233.7316 35.93998 54.69891       43.42637 
1 1 1 -4  4  14 f 763.8887 12.78682 137.3785       4.594749  130.6544       6.389347  144.5800       6.612302  744.5879 18.24195 783.2886 17.94575 -38.70074      25.58942 
1 1 1 -4  4  15 o 940.3570 13.64934 208.1665       6.037728  211.4637       8.701235  205.1046       8.384828  947.3349 19.52576 933.0183 19.10446 14.31659       27.31732 
1 1 1 -4  4  16 o 911.3708 15.78080 195.5769       6.765400  204.7265       12.06915  191.3846       8.169604  931.3753 27.54753 901.3016 19.26911 30.07373       33.61793 
1 1 1 -4  4  17 o 136.9540 37.46857 4.581285       2.483767  5.304527       3.594770  3.920605       3.435775  149.6846 46.31978 133.8108 45.58002 15.87378       64.98508 
1 1 1 -4  4  18 o 543.9648 15.26417 69.68132       3.905830  75.04367       5.705381  64.95155       5.358297  564.1658 21.49852 524.8489 21.70317 39.31689       30.54856 
1 1 1 -4  4  19 o 130.6416 47.38327 3.365564       3.754965  3.365564       3.754965  0.000000       0.000000  130.6416 47.38327 ?        ?        0.000000       47.38327 
1 1 1 -4  4  20 o 488.6139 23.49548 56.37039       5.400320  0.000000       0.000000  56.37039       5.400320  ?        ?        488.6139 23.49548 0.000000       23.49548 
1 1 1 -4  4  21 o 816.9286 15.46486 157.2805       5.942914  175.1229       8.937490  143.1388       7.956829  861.1323 22.06360 778.5814 21.72535 82.55096       30.96438 
1 1 1 -4  4  22 o 111.7808 41.55405 2.318381       2.916674  3.760284       4.191154  0.9643075      4.061501  137.2490 50.01691 113.4355 46.85654 23.81353       68.53632 
1 1 1 -4  4  23 o 186.4111 37.19960 8.602527       3.147660  8.417258       4.432034  8.791080       4.471152  183.1969 50.02254 187.0281 49.89772 -3.831192      70.65434 
1 1 1 -4  4  24 o 621.9210 16.94502 91.41359       4.957317  85.77846       6.833572  97.67336       7.202368  600.9480 24.17361 641.3398 23.87359 -40.39185      33.97517 
1 1 1 -4  4  25 o 311.3083 34.24168 23.62648       4.931473  23.62648       4.931473  0.000000       0.000000  311.3083 34.24168 ?        ?        0.000000       34.24168 
1 1 1 -4  4  26 o 312.0922 25.83434 23.47006       3.758608  20.54996       5.221871  26.60935       5.414298  287.2050 39.71402 329.0997 35.53811 -41.89468      53.29316 
1 1 1 -4  4  27 o 228.2007 33.19801 12.92926       3.459199  14.90993       4.892783  10.94979       4.891310  240.6392 44.87433 203.3151 51.17920 37.32407       68.06626 
1 1 1 -4  4  28 o 168.2995 46.90303 7.492811       3.851938  8.261000       6.564104  7.089345       4.757133  177.6046 62.85618 164.4298 53.57988 13.17485       82.59360 
1 1 1 -4  4  29 o 168.8923 40.87909 7.508701       3.212804  5.703197       4.418624  9.533950       4.679799  149.3097 51.65975 186.3719 51.61246 -37.06216      73.02449 
1 1 1 -4  4  30 o 419.1488 21.41753 42.46512       4.208763  49.42630       6.028815  35.84737       5.878222  447.5276 28.79081 377.7617 33.42449 69.76590       44.11470 
1 1 1 -4  4  31 o 297.5685 26.98262 21.91804       3.735869  27.00522       5.267524  16.76938       5.299253  325.2917 34.97359 247.7253 47.19863 77.56638       58.74404 
1 1 1 -4  4  32 o 185.4634 40.44558 9.302273       3.429153  9.094841       4.733203  9.531433       4.974932  176.4846 52.86250 179.8066 54.27203 -3.321991      75.76211 
1 1 1 -4  4  33 o 150.7579 48.85415 6.566888       3.957473  5.674792       6.603946  7.066759       4.943409  147.4070 60.18753 154.5876 54.56480 -7.180603      81.23949 
1 1 1 -4  4  34 o 306.7977 30.42750 24.37941       4.333328  30.35078       7.581685  21.48234       5.280903  316.2273 52.83187 277.1915 41.79938 39.03580       67.36761 
1 1 1 -4  4  35 o 108.0317 43.18202 2.753085       3.318710  2.771998       5.529542  2.742437       4.149080  119.3888 52.12214 112.4489 46.97749 6.939903       70.16838 
1 1 1 -4  4  36 o 170.7897 59.24161 11.56064       5.812578  11.56064       5.812578  0.000000       0.000000  170.7897 59.24161 ?        ?        0.000000       59.24161 
1 1 1 -4  6  1  o 633.8518 8.190837 94.51949       2.442223  94.17059       3.416849  94.88393       3.492028  632.6058 11.48215 634.9917 11.69070 -2.385925      16.38634 
1 1 1 -4  6  2  o 1663.948 18.46406 652.0209       14.45227  625.4459       23.85146  667.4385       18.16710  1627.809 31.14885 1682.933 22.94825 -55.12341      38.68944 
1 1 1 -4  6  3  o 358.8759 8.388231 30.29987       1.416068  31.41827       1.835805  28.65680       2.225128  365.4096 10.68015 348.9368 13.55623 16.47281       17.25795 
1 1 1 -4  6  4  f 1125.795 13.62538 298.3049       7.215675  300.5025       8.742481  293.6088       12.77993  1129.754 16.45060 1116.046 24.34317 13.70776       29.38047 
1 1 1 -4  6  5  o 259.1350 16.83115 15.87792       2.040562  13.30262       2.651821  19.61653       3.195104  236.3241 24.19546 287.4964 23.84074 -51.17233      33.96764 
1 1 1 -4  6  6  o 456.1387 8.369371 48.95073       1.795805  47.84336       2.559444  50.02449       2.520310  450.8793 12.06746 461.0524 11.62076 -10.17310      16.75308 
1 1 1 -4  6  7  o 374.8338 13.99408 33.07555       2.467473  33.07555       2.467473  0.000000       0.000000  374.8338 13.99408 ?        ?        0.000000       13.99408 
1 1 1 -4  6  8  o 187.0897 14.76033 8.293541       1.288468  7.723171       2.005036  8.694766       1.681658  179.2849 24.40884 191.1497 18.95209 -11.86481      30.90264 
1 1 1 -4  6  9  o 444.3119 14.59508 46.50133       3.050449  0.000000       0.000000  46.50133       3.050449  ?        ?        444.3119 14.59508 0.000000       14.59508 
1 1 1 -4  6  10 f 699.6625 11.10777 115.2650       3.655820  116.7534       5.286331  113.9006       5.061232  703.7501 15.96859 695.1471 15.47784 8.602966       22.23869 
1 1 1 -4  6  11 o 767.9398 11.67063 138.8852       4.215904  136.5869       5.966280  141.1773       5.958106  761.0473 16.66567 773.7664 16.36926 -12.71912      23.36016 
1 1 1 -4  6  12 o 723.4382 13.42703 123.2735       4.569312  120.9668       5.757169  127.1998       7.511064  716.3174 17.08575 734.0081 21.75361 -17.69067      27.66121 
1 1 1 -4  6  13 o 339.0133 18.72043 27.17020       2.973827  29.66807       3.488975  20.53508       5.686400  354.0736 21.04228 290.8894 42.83936 63.18420       47.72827 
1 1 1 -4  6  14 o 700.6326 12.80851 115.5472       4.221418  127.2672       6.325268  106.1345       5.668550  735.0087 18.29436 671.2360 17.95260 63.77271       25.63161 
1 1 1 -4  6  15 o 947.7607 13.60584 211.4408       6.065872  214.6224       8.750031  208.4971       8.416562  954.4579 19.48873 940.7765 19.01862 13.68146       27.23084 
1 1 1 -4  6  16 o 751.5019 15.74809 132.9780       5.567077  132.1938       9.895864  133.3410       6.733669  748.3793 28.11012 752.3359 19.02701 -3.956604      33.94416 
1 1 1 -4  6  17 o 974.5709 14.40554 223.6194       6.604080  222.1460       9.360438  225.0796       9.318858  970.8481 20.49631 977.2595 20.27139 -6.411377      28.82755 
1 1 1 -4  6  18 o 1113.231 15.22654 291.8559       7.973627  297.6997       11.52548  286.4912       11.04282  1123.562 21.80684 1102.275 21.29712 21.28723       30.48123 
1 1 1 -4  6  19 o 396.3482 18.20388 37.02631       3.393988  37.96004       4.862648  36.13933       4.739373  400.0450 25.98084 390.2954 25.96228 9.749603       36.72934 
1 1 1 -4  6  20 f 192.7245 32.67196 9.044278       2.856169  12.93983       4.154200  5.551983       3.933313  230.0113 39.83742 153.3961 48.60025 76.61520       62.84110 
1 1 1 -4  6  21 o 602.8364 16.10865 85.67447       4.568020  100.9054       6.945613  74.06449       6.064062  653.4944 22.59433 559.8238 23.02730 93.67059       32.26081 
1 1 1 -4  6  22 o 492.4117 18.46026 57.24736       4.275979  63.68804       6.648046  52.70279       5.584378  517.4802 27.40826 471.0107 25.29692 46.46945       37.29808 
1 1 1 -4  6  23 o 350.5551 21.75436 29.21033       3.569622  36.79498       5.386845  23.27241       4.766332  392.0233 29.42615 310.4302 33.15281 81.59314       44.32840 
1 1 1 -4  6  24 o 596.1216 17.37399 84.04491       4.871960  77.42913       6.777997  91.11674       7.007729  570.4285 25.25986 619.1293 24.06172 -48.70074      34.88591 
1 1 1 -4  6  25 f 132.5272 43.84451 4.162722       3.181003  6.548441       4.629138  2.028301       4.378550  162.9229 52.84183 122.8587 49.42592 40.06422       72.35455 
1 1 1 -4  6  26 o 246.0298 30.44973 14.81668       3.448776  22.86749       5.082183  7.944778       4.695363  304.2537 36.22142 175.2316 52.68777 129.0221       63.93742 
1 1 1 -4  6  27 o 155.8936 42.76964 6.283881       3.230999  11.69433       4.513030  0.5948116      4.627774  211.4635 46.62378 114.0794 48.72242 97.38412       67.43627 
1 1 1 -4  6  28 o 248.3668 34.95019 15.50609       3.970354  15.70452       7.067724  15.41461       4.799164  235.0964 62.74136 243.5590 43.48354 -8.462601      76.33673 
1 1 1 -4  6  29 o 569.8487 18.68314 77.69498       5.008165  77.57025       7.032291  77.82336       7.134034  564.5789 26.47908 565.2461 26.83047 -0.6672363     37.69636 
1 1 1 -4  6  30 o 451.5051 23.78529 49.57944       5.033914  47.71796       6.191216  53.21047       8.646946  438.5537 30.19523 453.5976 40.96710 -15.04382      50.89258 
1 1 1 -4  6  31 o 328.4831 30.11273 27.01355       4.601201  30.50478       5.462007  18.48098       8.538914  346.4483 33.95172 238.8848 70.87747 107.5635       78.58967 
1 1 1 -4  6  32 o 427.9838 21.88353 44.69982       4.390958  44.20928       6.117347  45.22115       6.306477  417.8017 31.35469 421.9473 32.01163 -4.145569      44.80916 
1 1 1 -4  6  33 o 309.5816 30.96517 24.59852       4.448911  22.95779       7.820486  25.38355       5.409530  265.8876 63.41629 308.1565 38.13206 -42.26889      73.99784 
1 1 1 -4  6  34 o 167.8210 53.49729 8.994777       4.760300  0.000000       0.000000  8.994777       4.760300  ?        ?        167.8210 53.49729 0.000000       53.49729 
1 1 1 -4  6  35 o 170.2732 49.79290 9.374952       4.240557  6.569561       5.776193  12.65458       6.245355  141.0144 56.75518 183.0957 61.45711 -42.08138      83.65481 
1 1 1 -4  6  36 f 200.8627 44.49942 12.65389       4.093888  13.99227       5.904696  11.41498       5.681042  188.2879 59.53522 169.2936 58.57627 18.99437       83.52019 
1 1 1 -4  8  1  o 823.5090 9.613549 159.5625       3.724101  161.5348       5.298738  157.6373       5.235184  828.4351 13.59705 818.3796 13.59903 10.05554       19.23053 
1 1 1 -4  8  2  o 1163.813 12.05514 318.7531       6.599707  325.2092       9.504033  312.7408       9.171631  1175.192 17.19214 1152.465 16.91803 22.72729       24.12031 
1 1 1 -4  8  3  o 912.8895 12.33203 196.1310       5.295685  199.8098       6.534375  189.0904       9.039649  921.2695 15.07815 895.7901 21.45241 25.47937       26.22129 
1 1 1 -4  8  4  o 53.38490 21.00200 0.3759653      0.7734216 -0.7004337E-01 0.8047965 5.763972       2.797232  47.03326 20.20875 153.1090 38.79204 -106.0757      43.74032 
1 1 1 -4  8  5  o 1195.508 14.21054 336.4797       7.991570  322.8941       9.423081  371.2842       15.08240  1170.873 17.10858 1254.479 25.55864 -83.60559      30.75626 
1 1 1 -4  8  6  f 305.4755 11.60138 21.96407       1.667076  20.78835       1.836278  27.47622       3.976017  297.1562 13.13664 340.2961 25.01363 -43.13986      28.25337 
1 1 1 -4  8  7  o 671.8176 9.595957 106.2214       3.032557  109.0622       4.476760  103.8124       4.122479  680.5043 13.98504 663.9718 13.19895 16.53247       19.23002 
1 1 1 -4  8  8  o 423.5698 9.832554 42.23146       1.959118  41.27576       2.951933  42.98378       2.619061  418.5282 14.99382 427.1967 13.03312 -8.668549      19.86648 
1 1 1 -4  8  9  o 327.0661 11.80451 25.19190       1.816154  24.67334       2.766606  25.58459       2.407527  322.8829 18.29031 329.4526 15.53492 -6.569763      23.99727 
1 1 1 -4  8  10 o 575.5355 12.69090 78.01392       3.435847  77.73485       6.472159  78.12343       4.054307  573.5066 23.99062 575.7868 14.96875 -2.280212      28.27744 
1 1 1 -4  8  11 o 936.2606 12.42212 206.3941       5.470940  198.2026       7.515334  215.6291       7.979682  917.0192 17.42210 956.4469 17.73599 -39.42773      24.86152 
1 1 1 -4  8  12 o 841.9131 12.40390 166.8487       4.912414  168.7341       7.031759  165.0515       6.865623  846.3071 17.66309 837.0383 17.43674 9.268860       24.81985 
1 1 1 -4  8  13 o 527.6641 12.66628 65.53330       3.143952  63.69464       4.542845  67.22345       4.355509  519.9976 18.57194 534.2603 17.33072 -14.26276      25.40219 
1 1 1 -4  8  14 o 221.0378 21.74652 11.62466       2.231860  13.02248       3.245878  10.37112       3.073799  232.9161 30.34608 207.0452 32.64151 25.87088       44.56852 
1 1 1 -4  8  15 o 1198.196 16.93721 338.0855       9.546386  356.1237       17.11593  329.9403       11.50153  1228.197 29.62533 1183.320 20.66255 44.87695       36.11926 
1 1 1 -4  8  16 o 511.7680 14.49401 61.66135       3.489240  60.74099       5.057578  62.49730       4.820049  507.6509 21.17913 515.0013 19.89637 -7.350464      29.05892 
1 1 1 -4  8  17 o 178.4262 31.50991 7.747528       2.547987  4.670257       3.790901  10.28327       3.441221  143.8987 47.87582 205.2806 36.99746 -61.38191      60.50542 
1 1 1 -4  8  18 o 539.6783 16.92456 68.62047       4.296569  69.45797       5.597923  67.41975       6.702769  542.6463 21.93011 534.2577 26.67069 8.388611       34.52905 
1 1 1 -4  8  19 o 123.0173 40.07547 3.473208       2.661394  4.821476       3.826451  2.209789       3.704091  145.3976 48.08667 119.5620 46.26567 25.83560       66.72960 
1 1 1 -4  8  20 o 706.7170 18.17397 117.7911       6.041777  118.6455       7.214437  115.7848       11.05532  708.8738 21.63537 698.3710 33.65238 10.50281       40.00714 
1 1 1 -4  8  21 o 654.7492 17.73417 101.1513       5.462044  105.5886       9.777521  99.13834       6.585417  666.7462 31.17446 647.7024 21.61416 19.04382       37.93440 
1 1 1 -4  8  22 o 143.1821 40.37627 5.057382       2.837007  10.34686       4.252144  0.8137183      3.808658  203.2070 45.60364 108.9769 45.22377 94.23012       64.22524 
1 1 1 -4  8  23 o 160.1940 43.91922 6.425171       3.408393  14.46492       6.398757  3.240421       4.027281  237.1162 57.87494 130.3483 48.75511 106.7680       75.67410 
1 1 1 -4  8  24 o 256.6181 31.52603 16.02475       3.725585  17.58757       4.928863  13.94174       5.690344  266.2588 40.64048 232.5969 53.16705 33.66185       66.92072 
1 1 1 -4  8  25 o 413.6205 20.67823 40.67501       4.023322  38.05707       5.741260  43.20122       5.639771  396.3120 31.04466 423.3441 28.48606 -27.03210      42.13344 
1 1 1 -4  8  26 o 215.2839 66.04137 12.66052       7.325655  0.000000       0.000000  12.66052       7.325655  ?        ?        215.2839 66.04137 0.000000       66.04137 
1 1 1 -4  8  27 o 411.4567 23.66323 40.78468       4.560729  41.11177       7.966472  40.62521       5.562465  402.6764 42.70917 408.1670 29.16280 -5.490662      51.71597 
1 1 1 -4  8  28 o 444.4848 20.08787 47.30181       4.200105  48.23803       6.161335  46.48907       5.740644  443.3711 29.71378 436.1662 28.12943 7.204895       40.91667 
1 1 1 -4  8  29 o 454.8574 24.11457 50.22037       5.141267  44.23306       8.699892  53.43341       6.373188  410.6798 45.81493 465.8746 29.22969 -55.19473      54.34503 
1 1 1 -4  8  30 o 190.1930 38.95058 9.506038       3.367554  8.392602       4.750578  10.63066       4.774394  173.0864 53.19640 194.8860 51.35725 -21.79967      73.94204 
1 1 1 -4  8  31 o 280.9655 28.12243 19.68387       3.666940  17.93167       4.964353  21.78782       5.439880  259.3250 42.14268 286.7251 41.54261 -27.40009      59.17596 
1 1 1 -4  8  32 o 198.1429 53.36539 11.64159       5.085192  9.824615       6.648344  14.20333       7.894156  177.0045 63.19233 204.7780 69.09320 -27.77357      93.63301 
1 1 1 -4  8  33 o 106.2445 43.72554 1.959112       3.520102  12.29489       6.533661  -2.268013      4.178377  190.9641 62.82005 88.46475 41.20079 102.4993       75.12566 
1 1 1 -4  8  34 o 122.7919 45.34761 4.148244       3.462210  -4.218193      5.577919  9.391689       4.415809  93.47991 44.72828 172.6735 50.90192 -79.19358      67.76153 
1 1 1 -4  8  35 o 109.8221 44.87440 2.884099       3.674432  -2.978597      4.842425  10.84126       5.641483  88.77975 42.25600 171.2038 58.40575 -82.42410      72.08884 
1 1 1 -4  10 1  o 1202.381 14.65166 340.4529       8.287017  398.3354       17.22162  323.0115       9.453464  1298.430 28.19591 1170.910 17.16320 127.5205       33.00886 
1 1 1 -4  10 2  o 1198.293 12.48042 338.0446       7.034960  339.7593       9.966002  336.3415       9.931956  1200.765 17.64386 1194.706 17.67276 6.058350       24.97263 
1 1 1 -4  10 3  o 1089.665 11.76697 279.5215       6.031522  274.8740       8.333238  284.6350       8.741090  1080.112 16.40121 1099.062 16.90729 -18.95056      23.55538 
1 1 1 -4  10 4  o 231.6613 11.14475 12.63379       1.214488  12.63379       1.214488  0.000000       0.000000  231.6613 11.14475 ?        ?        0.000000       11.14475 
1 1 1 -4  10 5  o 792.0278 10.21946 147.6665       3.807481  150.4505       5.070011  144.0656       5.766079  799.2123 13.48582 781.8705 15.67749 17.34180       20.67972 
1 1 1 -4  10 6  o 270.6186 11.91499 17.24558       1.516773  17.23503       1.631513  17.31273       4.117350  270.5102 12.82146 268.0349 33.37871 2.475250       35.75651 
1 1 1 -4  10 7  o 975.9604 11.25824 224.2685       5.168589  221.9468       7.271001  226.6400       7.348594  970.3761 15.92886 980.5818 15.93130 -10.20569      22.52854 
1 1 1 -4  10 8  o 372.5982 10.37560 32.67956       1.818542  35.43401       3.346748  31.52556       2.166247  387.6457 18.35349 365.8899 12.58602 21.75586       22.25440 
1 1 1 -4  10 9  f 718.2513 10.54984 121.4226       3.564442  123.9915       5.282906  119.2758       4.829340  725.5139 15.47953 711.6548 14.42611 13.85913       21.15959 
1 1 1 -4  10 10 o 207.8851 15.87837 10.23663       1.540996  14.57977       2.745105  8.238249       1.862071  247.4820 23.87646 185.6750 21.73034 61.80702       32.28456 
1 1 1 -4  10 11 o 1364.842 20.09838 438.8920       12.90365  432.2236       18.43062  445.3033       18.07171  1353.172 28.95460 1373.660 27.96732 -20.48718      40.25592 
1 1 1 -4  10 12 o 806.1633 12.33281 152.9492       4.676860  158.7404       6.834113  147.8480       6.414015  821.0219 17.69531 792.3798 17.20788 28.64209       24.68269 
1 1 1 -4  10 13 o 1267.146 14.76955 377.9775       8.803662  367.5793       12.17991  389.3531       12.73944  1249.075 20.72939 1285.502 21.06728 -36.42688      29.55567 
1 1 1 -4  10 14 o 279.6347 27.21622 18.62157       3.534675  19.82462       4.438907  16.53686       5.843308  287.7473 33.41627 259.6065 49.65860 28.14084       59.85502 
1 1 1 -4  10 15 o 252.2905 20.20963 15.09452       2.378305  16.88605       3.576641  13.67447       3.184305  265.8643 29.07249 238.9404 28.91937 26.92392       41.00658 
1 1 1 -4  10 16 o 884.1814 13.76788 184.0527       5.726346  182.7874       8.196595  185.2591       8.003414  880.6835 19.78538 886.6703 19.18862 -5.986816      27.56201 
1 1 1 -4  10 17 o 718.6125 18.75707 121.7060       6.340582  127.4079       10.24207  118.1629       8.073739  734.1351 29.65804 707.5919 24.25619 26.54315       38.31400 
1 1 1 -4  10 18 o 350.9644 18.55566 29.11840       3.052550  30.00147       4.423567  28.31561       4.217703  355.3221 26.65990 345.2051 26.16805 10.11703       37.35663 
1 1 1 -4  10 19 o 532.9046 15.81898 66.92579       3.965494  65.19273       5.663571  68.59252       5.554142  525.3920 22.91594 539.0132 21.90525 -13.62128      31.70142 
1 1 1 -4  10 20 f 447.6662 17.29547 47.27063       3.642134  44.32164       5.305917  49.89823       5.008457  431.8949 26.24071 458.8264 23.28153 -26.93152      35.07997 
1 1 1 -4  10 21 o 945.7902 15.44415 210.9951       6.871130  213.4525       9.968307  208.7704       9.484243  949.8074 22.31087 939.5419 21.45938 10.26556       30.95610 
1 1 1 -4  10 22 o 407.7073 18.90236 39.30763       3.625217  36.52103       5.306866  41.74575       4.963958  390.5176 29.09751 418.5241 25.33315 -28.00644      38.58022 
1 1 1 -4  10 23 o 157.7723 42.94240 6.257977       3.272364  4.581739       4.383517  8.368015       4.918128  144.4595 51.33980 181.8471 53.75116 -37.38754      74.33009 
1 1 1 -4  10 24 o 468.2505 18.44374 51.97618       4.062531  52.23332       5.942922  51.75061       5.566142  466.5193 27.19873 464.8972 25.55040 1.622162       37.31747 
1 1 1 -4  10 25 o 354.1278 21.35327 29.97986       3.540443  29.45130       5.132854  30.45956       4.889864  347.6252 31.73912 354.3608 29.60590 -6.735596      43.40369 
1 1 1 -4  10 26 o 346.6326 25.30991 29.02215       4.098423  41.70631       7.594411  23.81014       4.868174  408.4117 40.04511 310.5162 33.87796 97.89551       52.45309 
1 1 1 -4  10 27 o 381.6429 22.59058 35.07885       4.037533  32.21202       5.696389  37.97312       5.723576  360.3651 34.00579 393.0429 31.21393 -32.67783      46.15953 
1 1 1 -4  10 28 f 84.17978 37.75024 -1.014667      3.096325  1.696908       4.667775  -3.145372      4.137716  119.7925 49.91781 87.72071 40.90290 32.07176       64.53553 
1 1 1 -4  10 29 o 302.6636 28.87390 22.64817       4.061023  20.42361       5.040024  26.76576       6.856948  281.7427 39.08111 317.1582 47.41595 -35.41550      61.44595 
1 1 1 -4  10 30 o 132.8202 43.99481 4.567247       3.202494  3.618479       4.551394  5.497580       4.506955  130.4859 51.06408 145.7359 52.02942 -15.25000      72.90131 
1 1 1 -4  10 31 f 98.64601 41.07850 1.158934       3.158013  -1.369670      4.441824  3.743592       4.490788  97.51754 44.32844 129.5207 50.71287 -32.00317      67.35581 
1 1 1 -4  10 32 o 119.4187 49.66584 2.491910       4.608047  -2.831451      6.158029  9.265756       6.946507  106.5231 49.74691 171.4312 64.04966 -64.90812      81.09941 
1 1 1 -4  10 33 o 77.21684 36.37774 -2.647465      3.418832  -4.108205      6.205819  -2.010950      4.096538  100.6266 47.87827 88.22814 40.99195 12.39844       63.02911 
1 1 1 -4  10 34 o 80.59192 37.70947 -2.041732      3.566667  -5.184305      4.663970  2.384661       5.535262  81.29770 39.39584 118.5226 51.93557 -37.22491      65.18693 
1 1 1 -4  10 35 o 103.2918 47.54300 0.1217004      5.324276  0.000000       0.000000  0.1217004      5.324276  ?        ?        103.2918 47.54300 0.000000       47.54300 
1 1 1 -4  12 1  o 542.1613 10.22428 69.18933       2.607537  75.71344       4.392723  65.63969       3.240152  566.7899 16.47565 527.9401 13.04702 38.84979       21.01599 
1 1 1 -4  12 2  o 994.8417 15.88303 233.2168       7.432872  0.000000       0.000000  233.2168       7.432872  ?        ?        994.8417 15.88303 0.000000       15.88303 
1 1 1 -4  12 3  o 683.5287 9.453765 109.9590       3.039701  114.7774       4.422968  105.6462       4.184509  698.1141 13.46847 669.7813 13.28135 28.33289       18.91544 
1 1 1 -4  12 4  o 266.7733 11.66926 16.75431       1.464385  16.37119       1.590755  18.88228       3.749040  263.6802 12.82498 281.1071 28.75652 -17.42694      31.48678 
1 1 1 -4  12 5  o 1136.948 12.25685 304.3166       6.555241  305.9648       7.419755  298.4543       13.99318  1139.877 13.83765 1124.026 26.46493 15.85034       29.86424 
1 1 1 -4  12 6  o 803.3024 11.27783 151.8782       4.261613  151.8782       4.261613  0.000000       0.000000  803.3024 11.27783 ?        ?        0.000000       11.27783 
1 1 1 -4  12 7  o 757.3343 14.46338 135.0317       5.152603  129.4887       6.177030  147.7111       9.342393  741.4479 17.71045 791.3224 25.09778 -49.87457      30.71740 
1 1 1 -4  12 8  o 797.7625 10.65169 149.7578       3.997252  142.4777       5.515128  157.8141       5.801688  777.9482 15.07077 818.7482 15.06381 -40.79993      21.30837 
1 1 1 -4  12 9  o 305.9006 10.67033 22.01849       1.535422  24.42065       2.720495  20.89565       1.859972  321.5195 18.06067 297.9636 13.27009 23.55588       22.41167 
1 1 1 -4  12 10 o 868.6580 12.61636 177.5780       5.155278  180.5940       6.905674  173.7812       7.748172  875.8090 16.76206 858.9947 19.17518 16.81433       25.46869 
1 1 1 -4  12 11 o 1144.992 15.65515 308.6273       8.431966  299.6433       15.12459  312.6789       10.15683  1127.030 28.52849 1152.259 18.73868 -25.22913      34.13228 
1 1 1 -4  12 12 o 712.3108 11.70899 119.4009       3.923360  112.2513       5.580321  126.3897       5.517154  690.4451 17.18149 732.6927 16.00751 -42.24768      23.48284 
1 1 1 -4  12 13 o 788.3431 12.38853 146.2678       4.594143  144.7766       6.697655  147.5928       6.313545  784.0255 18.16031 791.6845 16.95321 -7.659058      24.84367 
1 1 1 -4  12 14 o 391.4030 14.55292 36.06700       2.679438  33.96551       4.035603  37.72374       3.583204  378.8861 22.74815 400.1533 19.03601 -21.26718      29.66223 
1 1 1 -4  12 15 o 860.9716 16.48545 174.5905       6.676653  168.6754       7.713051  192.2711       13.33508  846.0367 19.38062 901.8661 31.43289 -55.82941      36.92743 
1 1 1 -4  12 16 o 909.0142 14.05930 194.5704       6.011786  192.1498       8.485049  197.0104       8.518951  902.8172 19.97953 914.1823 19.80998 -11.36505      28.13569 
1 1 1 -4  12 17 o 476.1012 15.15803 53.39515       3.394777  47.52184       4.802638  59.26016       4.799243  448.1401 22.85824 501.2607 20.35353 -53.12057      30.60662 
1 1 1 -4  12 18 o 533.4439 20.75921 67.15568       5.209175  0.000000       0.000000  67.15568       5.209175  ?        ?        533.4439 20.75921 0.000000       20.75921 
1 1 1 -4  12 19 o 516.9795 16.77117 63.02967       4.078551  62.10318       5.391926  64.26873       6.235473  512.6349 22.35973 521.1339 25.43612 -8.499023      33.86670 
1 1 1 -4  12 20 o 610.2906 15.51588 87.85109       4.454330  90.32365       6.725546  85.91904       5.945142  617.7463 23.14451 602.8365 20.96493 14.90979       31.22814 
1 1 1 -4  12 21 o 623.8774 19.31009 92.04513       5.666996  89.26874       6.598248  99.85138       11.06394  613.7291 22.85508 644.2782 36.65778 -30.54913      43.19893 
1 1 1 -4  12 22 o 250.0795 26.90075 15.06576       3.114779  9.929403       4.465640  19.93214       4.346695  197.5581 48.42755 286.5803 32.83615 -89.02222      58.51017 
1 1 1 -4  12 23 o 264.8494 26.11818 16.89933       3.211586  14.95696       4.895327  18.36704       4.255356  243.6309 44.34882 274.1518 33.70713 -30.52083      55.70447 
1 1 1 -4  12 24 o 441.7924 21.52103 46.47055       4.472502  46.25446       8.387484  46.55641       5.286852  431.8293 41.81422 440.3794 25.63205 -8.550049      49.04519 
1 1 1 -4  12 25 o 290.0189 24.05503 20.27731       3.252097  13.31520       4.618621  27.12331       4.579944  227.4364 44.76398 333.8133 29.46925 -106.3769      53.59338 
1 1 1 -4  12 26 o 231.8281 30.37871 13.27397       3.233147  11.98813       4.721853  14.40895       4.436222  213.0149 48.24302 237.2633 41.24503 -24.24837      63.47078 
1 1 1 -4  12 27 o 374.9953 33.64754 34.90880       5.872229  30.38050       7.780115  40.90369       8.951775  339.0508 50.30693 394.9580 49.25282 -55.90720      70.40331 
1 1 1 -4  12 28 o 397.9604 23.72620 38.37057       4.421392  37.93282       5.701546  39.03092       7.002728  391.5524 31.21454 392.3337 38.43764 -0.7812500     49.51565 
1 1 1 -4  12 29 o 295.5155 25.36494 21.38706       3.491834  19.07973       4.964656  23.64585       4.912161  271.1916 40.12897 305.7315 34.77440 -34.53992      53.09984 
1 1 1 -4  12 30 o 204.6563 42.15023 11.22809       3.922725  14.06362       6.632127  9.702343       4.864944  215.6439 62.04460 184.2237 53.17859 31.42014       81.71593 
1 1 1 -4  12 31 o 119.5706 45.90430 3.224264       3.625261  -5.897741      6.088356  8.235060       4.512407  97.13241 46.54279 168.5665 51.85215 -71.43406      69.67695 
1 1 1 -4  12 32 o 98.03378 41.72766 0.9829246      3.373582  -5.231867      5.695902  4.341108       4.186985  93.89969 45.00011 129.9980 49.46924 -36.09830      66.87463 
1 1 1 -4  12 33 o 130.3835 53.42065 4.295482       5.224989  4.295482       5.224989  0.000000       0.000000  130.3835 53.42065 ?        ?        0.000000       53.42065 
1 1 1 -4  12 34 o 86.37939 39.42684 -0.7179888     3.559800  -2.704816      4.916780  1.470868       5.160709  91.10180 43.13174 110.5131 49.20545 -19.41134      65.43335 
1 1 1 -4  14 1  o 1195.338 12.71763 336.2674       7.150990  348.8055       10.45831  325.2584       9.799829  1217.026 18.26805 1175.272 17.72600 41.75403       25.45452 
1 1 1 -4  14 2  o 1932.392 21.54005 879.7820       19.57993  1032.996       40.41391  832.7879       22.38219  2089.173 41.12324 1879.459 25.31631 209.7137       48.29116 
1 1 1 -4  14 3  o 1969.523 21.70995 913.9043       20.11356  915.3544       24.80118  911.1178       34.37879  1970.215 26.76021 1963.281 37.22536 6.934082       45.84579 
1 1 1 -4  14 4  o 647.4664 11.89469 98.64798       3.622761  101.9311       4.285603  90.42807       6.781150  658.0948 13.84376 619.4725 23.27084 38.62231       27.07732 
1 1 1 -4  14 5  o 404.9881 12.69881 38.59783       2.419215  41.42529       2.777556  29.71165       4.924046  419.5332 14.07432 353.6321 29.88035 65.90103       33.02911 
1 1 1 -4  14 6  o 471.3399 9.024411 52.26678       2.000886  51.44515       2.119331  59.00714       6.070210  467.6116 9.634832 499.6518 25.91557 -32.04019      27.64863 
1 1 1 -4  14 7  o 699.4008 9.952935 115.0892       3.274512  112.8958       3.522488  129.0428       8.884480  692.6834 10.81049 739.9066 25.52618 -47.22314      27.72098 
1 1 1 -4  14 8  o 105.8574 31.62219 2.671466       1.695415  4.486965       1.864988  -5.972057      4.069335  135.2718 30.08640 78.77802 37.82798 56.49380       48.33371 
1 1 1 -4  14 9  o 1013.585 12.27175 241.7620       5.851079  228.5333       7.954281  257.3597       8.637193  985.2163 17.16327 1045.482 17.56251 -60.26587      24.55646 
1 1 1 -4  14 10 o 392.9835 10.50229 36.33841       1.941457  43.42105       3.482117  33.14351       2.338702  429.4284 17.23786 375.2649 13.24853 54.16351       21.74092 
1 1 1 -4  14 11 f 862.3051 11.79138 174.9856       4.782940  169.2403       6.890706  180.3272       6.644223  847.7609 17.27909 875.1553 16.13949 -27.39435      23.64424 
1 1 1 -4  14 12 o 732.4799 13.58023 126.2926       4.679204  122.7705       9.424711  127.4448       5.390497  721.2767 27.77773 735.7207 15.57566 -14.44397      31.84657 
1 1 1 -4  14 13 o 271.9118 32.94808 17.73187       4.128284  17.73187       4.128284  0.000000       0.000000  271.9118 32.94808 ?        ?        0.000000       32.94808 
1 1 1 -4  14 14 o 88.08759 33.02495 1.358871       1.849910  -0.9457318     2.979944  2.803885       2.359641  85.40038 37.73811 112.4384 37.77587 -27.03807      53.39646 
1 1 1 -4  14 15 o 661.5958 12.87481 103.0522       4.006847  101.3674       5.899667  104.4947       5.459026  655.7715 19.12518 665.9346 17.42667 -10.16302      25.87395 
1 1 1 -4  14 16 o 83.70534 34.77505 0.3850051      2.255611  0.5577279      3.372358  0.2451843      3.034203  101.9985 42.46002 94.76697 39.91691 7.231514       58.27704 
1 1 1 -4  14 17 o 212.0378 25.10649 10.77561       2.455570  9.007939       3.604767  12.30605       3.354159  190.7852 41.35925 225.4986 32.56415 -34.71336      52.64040 
1 1 1 -4  14 18 o 378.3509 17.29116 33.76875       3.077430  33.63877       4.543897  33.87888       4.182783  376.0670 25.84270 377.7527 23.65835 -1.685760      35.03659 
1 1 1 -4  14 19 o 1069.177 17.29928 269.8455       8.700553  262.0393       14.42395  274.3103       10.90857  1050.086 29.20048 1076.914 21.53365 -26.82837      36.28176 
1 1 1 -4  14 20 o 90.46017 36.85691 0.7872444      2.469800  -4.194511      3.640771  5.034205       3.361563  78.38596 37.11259 144.2542 44.81733 -65.86826      58.18881 
1 1 1 -4  14 21 o 406.0158 18.95354 39.02134       3.619950  39.98343       5.235286  38.13998       5.010850  408.6967 27.38986 399.2639 26.83566 9.432800       38.34523 
1 1 1 -4  14 22 o 100.3090 45.79448 -2.746330      4.805690  -5.621285      6.208269  1.551724       7.590859  105.6665 49.54035 148.8733 62.94461 -43.20674      80.10162 
1 1 1 -4  14 23 o 147.4586 39.58833 5.502548       2.803773  7.395966       4.302105  4.104550       3.696673  170.0346 50.27585 134.5503 47.21166 35.48428       68.96812 
1 1 1 -4  14 24 o 171.0715 36.75391 7.415555       2.869499  3.325022       4.130959  11.22966       3.988935  129.7729 49.19622 209.7263 41.89884 -79.95343      64.62029 
1 1 1 -4  14 25 o 78.59253 37.36307 -4.298313      3.764051  0.000000       0.000000  -4.298313      3.764051  ?        ?        78.59253 37.36307 0.000000       37.36307 
1 1 1 -4  14 26 f 362.9034 23.09965 31.75405       3.922841  32.30344       5.257784  31.06421       5.891638  362.4743 31.13816 352.8708 35.99778 9.603516       47.59648 
1 1 1 -4  14 27 f 337.8188 22.79670 27.57310       3.601448  21.86220       4.978351  33.84326       5.216419  294.3631 36.75371 370.8702 30.16199 -76.50714      47.54557 
1 1 1 -4  14 28 o 257.7083 33.92844 16.74203       4.013042  16.26298       4.655543  18.12723       7.916500  250.2725 40.96212 246.9032 66.62083 3.369324       78.20633 
1 1 1 -4  14 29 o 390.9948 21.61036 37.01754       3.959253  30.09699       5.293308  45.80638       5.965168  345.9058 32.92860 429.7630 29.68898 -83.85724      44.33653 
1 1 1 -4  14 30 o 98.32906 41.91555 0.7227250      3.413226  10.71344       5.990891  -4.078830      4.153213  188.5210 60.00651 82.67146 39.28601 105.8495       71.72289 
1 1 1 -4  14 31 o 144.9048 44.18825 5.849151       3.285659  15.23484       5.905121  1.640464       3.954294  224.4524 56.08709 108.8728 45.69830 115.5796       72.34705 
1 1 1 -4  14 32 o 167.9246 40.34794 7.893380       3.147449  10.30024       5.102030  6.414653       3.999094  180.6680 55.05720 147.4870 49.17784 33.18098       73.82246 
1 1 1 -4  14 33 o 103.1440 42.93066 1.923461       3.446819  -0.8825803     4.713509  5.148633       5.053285  97.74526 44.89481 133.8009 53.35019 -36.05566      69.72651 
1 1 1 -4  16 1  o 1238.533 13.17232 360.9805       7.674307  377.6274       11.26831  346.5794       10.48066  1266.415 18.91531 1213.275 18.36370 53.14026       26.36313 
1 1 1 -4  16 2  o 573.3650 9.940505 77.34518       2.681075  74.56964       3.736645  80.29028       3.849079  562.8967 14.11185 584.0918 14.00897 -21.19507      19.88455 
1 1 1 -4  16 3  o 1284.401 15.66512 388.3041       9.464626  398.3354       16.81713  383.6539       11.45013  1299.852 27.50354 1276.452 19.06939 23.40027       33.46769 
1 1 1 -4  16 4  o 289.6447 17.19111 19.82000       2.331793  18.33361       2.723343  23.90309       4.513694  278.2117 20.96334 316.8489 30.66752 -38.63718      37.14780 
1 1 1 -4  16 5  o 1270.284 13.45005 379.7511       8.037005  372.4006       8.883467  412.9013       18.86544  1257.838 15.01372 1322.967 30.31438 -65.12878      33.82859 
1 1 1 -4  16 6  o 1440.816 16.86376 488.7397       11.42963  479.6319       13.21661  515.7551       22.76237  1427.077 19.68808 1478.120 32.73698 -51.04272      38.20118 
1 1 1 -4  16 7  o 771.2256 10.46488 139.9497       3.796513  136.7734       4.085929  160.0179       10.27031  762.3960 11.39307 823.7975 26.50293 -61.40149      28.84801 
1 1 1 -4  16 8  o 2131.297 20.59201 1070.091       20.64486  1070.795       23.57574  1067.776       42.75295  2131.481 23.51335 2123.373 42.80264 8.108398       48.83589 
1 1 1 -4  16 9  o 549.3160 13.35056 71.02224       3.449776  66.67524       3.816117  90.45779       8.069102  532.1821 15.24376 619.2066 27.70259 -87.02454      31.61970 
1 1 1 -4  16 10 o 813.4066 11.80546 155.7098       4.517103  150.9448       6.181347  161.1704       6.617198  800.6395 16.41258 827.2791 17.00406 -26.63959      23.63284 
1 1 1 -4  16 11 o 1249.364 14.17140 367.4739       8.328585  350.5373       11.40753  386.8072       12.18796  1219.677 19.88279 1281.183 20.22323 -61.50598      28.36026 
1 1 1 -4  16 12 o 1258.116 16.17501 372.7924       9.572701  378.4186       16.54766  369.9626       11.73575  1265.909 27.78849 1252.896 19.91253 13.01257       34.18638 
1 1 1 -4  16 13 f 156.5100 20.65534 5.875220       1.483548  8.627884       3.052612  5.024029       1.697496  187.7589 35.87018 143.6708 26.07762 44.08810       44.34763 
1 1 1 -4  16 14 o 1150.701 14.26661 311.8495       7.722407  284.1490       10.22726  348.5907       11.77857  1097.727 19.80596 1215.720 20.59632 -117.9934      28.57419 
1 1 1 -4  16 15 o 366.4537 15.48110 31.64255       2.668641  30.07055       3.996710  32.90726       3.584849  355.9808 24.00773 372.8882 20.51620 -16.90741      31.57982 
1 1 1 -4  16 16 f 684.3748 22.92086 110.6850       7.378943  107.4911       9.700322  115.0714       11.36770  673.1763 30.63289 695.6705 34.73760 -22.49414      46.31495 
1 1 1 -4  16 17 o 101.8586 35.61543 2.202477       2.102846  -1.376155      3.304857  4.636981       2.725835  87.47776 39.13099 137.7296 39.81996 -50.25182      55.82888 
1 1 1 -4  16 18 o 803.5148 14.27509 152.2562       5.395630  140.5313       7.589419  164.2388       7.672404  770.7877 20.93170 833.5685 19.56685 -62.78082      28.65305 
1 1 1 -4  16 19 o 223.2069 25.65417 11.98785       2.644641  12.33264       4.117924  11.74581       3.450216  222.8916 40.77763 218.9189 34.65794 3.972702       53.51624 
1 1 1 -4  16 20 o 426.8083 16.77710 43.06632       3.368364  40.10377       4.941795  45.63699       4.603363  409.6612 25.77571 437.9230 22.42162 -28.26178      34.16308 
1 1 1 -4  16 21 o 311.9557 22.43150 23.25315       3.269727  19.60198       4.348602  28.00238       4.959588  283.5294 33.23536 340.1012 31.35349 -56.57181      45.69059 
1 1 1 -4  16 22 o 263.8413 23.80342 16.73761       2.922466  17.90670       4.327950  15.75777       3.962208  269.7379 34.92948 253.0313 34.16176 16.70656       48.85790 
1 1 1 -4  16 23 o 423.8687 17.90697 42.65919       3.570448  43.85665       5.226765  41.61154       4.888903  426.7515 26.16314 416.0337 25.09874 10.71780       36.25543 
1 1 1 -4  16 24 o 265.4507 26.96295 17.14054       3.320094  22.81808       6.042619  14.68534       3.973642  299.1534 44.27737 242.3708 35.94204 56.78267       57.02908 
1 1 1 -4  16 25 o 310.9184 21.74130 23.24659       3.159796  22.75101       4.524158  23.71856       4.415092  303.6808 32.15958 310.8077 30.59460 -7.126892      44.38770 
1 1 1 -4  16 26 o 78.19993 35.03806 -0.9417629     2.661231  -0.4957989     3.891656  -1.333484      3.647314  98.38847 43.31932 90.41612 40.72335 7.972343       59.45549 
1 1 1 -4  16 27 o 163.3543 38.32058 6.945893       2.893808  -0.8398495     4.023201  15.29185       4.165430  97.53307 43.43437 244.8994 37.33915 -147.3663      57.27789 
1 1 1 -4  16 28 o 175.9583 50.73372 8.548707       4.430210  8.548707       4.430210  0.000000       0.000000  175.9583 50.73372 ?        ?        0.000000       50.73372 
1 1 1 -4  16 29 o 170.0899 38.12598 7.660340       2.975037  10.78426       4.311704  4.821585       4.110200  197.6149 47.05801 137.7705 49.63330 59.84436       68.39532 
1 1 1 -4  16 30 o 202.4795 37.09019 10.84868       3.402532  1.419739       5.251188  17.67220       4.467148  118.7709 51.32783 259.0725 37.76618 -140.3016      63.72464 
1 1 1 -4  16 31 o 194.4583 36.29054 10.13143       3.197528  11.00178       5.366783  9.652439       3.981318  187.4971 56.31852 182.9909 46.23443 4.506180       72.86562 
1 1 1 -4  16 32 o 102.4151 42.57146 1.780318       3.383054  3.070749       4.779973  0.4851368      4.788761  120.5288 50.39384 105.8721 47.24979 14.65664       69.08025 
1 1 1 -4  18 1  o 483.4971 10.16132 55.00283       2.311071  58.85338       3.237246  51.00067       3.300364  500.0589 13.76212 465.4730 15.07294 34.58585       20.41052 
1 1 1 -4  18 2  o 866.5054 12.53486 176.6955       5.109283  188.8579       6.713752  159.9584       7.875807  895.6764 15.93474 824.0698 20.31710 71.60657       25.82054 
1 1 1 -4  18 3  o 925.1680 13.17499 201.4444       5.733768  205.2319       10.09206  199.6391       6.967526  933.2217 22.98929 920.8704 16.08462 12.35132       28.05749 
1 1 1 -4  18 4  o 1308.710 12.45624 403.0685       7.668311  402.7314       9.903956  403.5731       12.11694  1307.908 16.09764 1308.960 19.67875 -1.051880      25.42415 
1 1 1 -4  18 5  o 1243.896 15.46041 364.2593       9.046371  374.2594       10.87953  341.8549       16.28454  1260.615 18.34671 1203.660 28.76089 56.95544       34.11437 
1 1 1 -4  18 6  o 238.6106 10.76662 13.39749       1.208477  13.07866       1.242098  19.04875       5.229435  235.7498 11.20044 280.7722 40.78732 -45.02245      42.29722 
1 1 1 -4  18 7  o 462.1376 9.725818 50.25255       2.114300  48.90352       2.215602  64.00120       7.073124  455.8804 10.33169 519.9014 29.03754 -64.02100      30.82081 
1 1 1 -4  18 8  o 706.1642 11.50257 117.3582       3.820939  117.3582       3.820939  0.000000       0.000000  706.1642 11.50257 ?        ?        0.000000       11.50257 
1 1 1 -4  18 9  o 724.5425 10.88488 123.5437       3.709853  120.8987       3.965548  142.0928       10.50143  716.7093 11.76226 775.6769 28.78049 -58.96759      31.09127 
1 1 1 -4  18 10 o 1032.047 28.40451 251.6053       13.78974  251.6053       13.78974  0.000000       0.000000  1032.047 28.40451 ?        ?        0.000000       28.40451 
1 1 1 -4  18 11 o 272.0941 17.98087 17.52264       2.288462  17.84993       2.914959  16.99684       3.694641  274.1204 22.81309 266.4496 29.99917 7.670837       37.68803 
1 1 1 -4  18 12 o 593.9853 11.73378 83.06021       3.278559  79.95261       4.819241  85.73759       4.473234  582.4315 17.58994 603.2580 15.76338 -20.82648      23.61970 
1 1 1 -4  18 13 o 294.2542 12.97949 20.39149       1.796592  22.26894       3.492668  19.71599       2.095012  306.0302 24.46640 288.8485 15.47493 17.18173       28.94958 
1 1 1 -4  18 14 o 625.3110 11.80636 92.08205       3.472812  95.99349       5.689554  89.75945       4.384279  637.8239 18.96305 617.1290 15.10264 20.69495       24.24226 
1 1 1 -4  18 15 o 588.0455 12.16486 81.45797       3.365018  70.50620       5.080395  90.01807       4.491534  546.3959 19.76608 617.8782 15.45334 -71.48230      25.08992 
1 1 1 -4  18 16 o 519.8422 12.77982 63.68685       3.125112  57.76688       4.891279  67.77042       4.062400  494.2498 21.03810 535.9341 16.11395 -41.68423      26.50021 
1 1 1 -4  18 17 o 428.6041 20.33161 43.46093       4.099184  42.06991       4.629171  48.51368       8.822704  420.6385 23.48891 446.5958 42.50990 -25.95721      48.56769 
1 1 1 -4  18 18 o 555.6677 13.70069 72.84806       3.581187  69.08798       5.510647  75.59698       4.711791  539.8763 21.69897 565.4662 17.71373 -25.58984      28.01109 
1 1 1 -4  18 19 o 223.0791 22.17141 11.92830       2.295776  14.65063       3.905347  10.49077       2.837912  244.4309 34.96115 207.3880 29.95866 37.04294       46.04132 
1 1 1 -4  18 20 o 404.9981 18.40375 38.87049       3.506135  35.22593       7.658848  39.83679       3.943639  376.7003 44.05336 409.6373 20.46578 -32.93695      48.57517 
1 1 1 -4  18 21 o 611.9540 14.53731 88.55966       4.184775  89.39307       6.316372  87.90765       5.586875  612.7183 21.91480 608.3746 19.52219 4.343689       29.34918 
1 1 1 -4  18 22 o 300.8341 20.13701 21.63099       2.833195  18.69738       4.319908  23.84527       3.753100  275.4459 34.06655 314.4281 25.59679 -38.98215      42.61133 
1 1 1 -4  18 23 o 158.2756 36.38412 6.372453       2.652217  4.160626       3.927869  8.226007       3.595706  135.4947 48.55085 178.3145 43.30007 -42.81982      65.05444 
1 1 1 -4  18 24 o 196.5825 29.03126 9.542444       2.603823  14.39270       3.929542  5.745800       3.476637  239.6457 35.96842 149.6862 45.41167 89.95953       57.93053 
1 1 1 -4  18 25 o 109.1927 39.47406 2.591622       2.602934  1.696231       3.798243  3.384488       3.574176  112.3978 45.74086 124.8780 46.08359 -12.48017      64.93015 
1 1 1 -4  18 26 o 95.56735 39.69530 0.8646595      2.938224  0.9542165      4.104305  0.7705114      4.208196  109.6691 46.32188 109.5534 46.61700 0.1157379      65.71804 
1 1 1 -4  18 27 o 101.1576 39.30096 1.859255       2.681090  3.429040       3.927690  0.4895879      3.668804  126.1725 47.93707 101.0616 43.27766 25.11092       64.58265 
1 1 1 -4  18 28 o 441.2050 18.22954 46.68332       3.783427  39.07254       5.164290  55.50064       5.558590  397.7844 27.77332 476.5534 24.88244 -78.76907      37.28931 
1 1 1 -4  18 29 o 207.4718 35.91976 11.25836       3.378650  6.102854       5.218533  14.97895       4.433213  150.3836 55.64675 236.3849 41.37581 -86.00130      69.34348 
1 1 1 -4  18 30 f 82.31996 36.69571 -0.4807299     2.879314  -6.111772      4.345302  3.927066       3.844469  77.21565 37.55832 125.6633 47.50264 -48.44761      60.55682 
1 1 1 -4  18 31 o 134.3504 45.43373 5.141346       3.413515  1.918550       4.538262  9.340072       5.180026  112.8203 48.21844 170.6242 55.92595 -57.80386      73.84260 
1 1 1 -4  20 1  o 613.1176 10.31891 88.45712       2.976096  92.02852       4.134336  84.61618       4.287511  625.2453 14.05679 599.4921 15.20381 25.75317       20.70626 
1 1 1 -4  20 2  o 973.8065 13.79883 223.2332       6.320980  230.4597       7.759435  208.9774       10.89829  989.2472 16.67462 941.3165 24.61238 47.93073       29.72898 
1 1 1 -4  20 3  o 410.3080 22.25831 39.80381       4.279998  39.80381       4.279998  0.000000       0.000000  410.3080 22.25831 ?        ?        0.000000       22.25831 
1 1 1 -4  20 4  o 1596.823 22.94291 601.2409       17.23355  0.000000       0.000000  601.2409       17.23355  ?        ?        1596.823 22.94291 0.000000       22.94291 
1 1 1 -4  20 5  o 818.1917 26.21908 157.9964       10.09118  0.000000       0.000000  157.9964       10.09118  ?        ?        818.1917 26.21908 0.000000       26.21908 
1 1 1 -4  20 6  o 179.3607 12.43276 7.608977       1.042499  7.437347       1.065048  11.53389       5.093162  177.2806 12.85886 215.7115 50.99715 -38.43092      52.59334 
1 1 1 -4  20 7  o 651.4236 13.02255 99.90459       3.990514  99.75034       4.497284  100.4756       8.653188  650.8351 14.68960 652.1228 28.20834 -1.287659      31.80400 
1 1 1 -4  20 8  o 163.2779 17.82729 6.357112       1.346997  6.505169       1.398074  4.441142       5.029322  165.1285 18.30667 150.2892 54.78719 14.83928       57.76479 
1 1 1 -4  20 9  o 1632.867 16.84179 628.3135       12.93624  620.2540       14.40045  662.0096       29.44489  1621.962 18.87410 1669.746 37.48782 -47.78430      41.97105 
1 1 1 -4  20 10 o 370.9904 12.07427 32.40741       2.107137  31.94479       2.218976  36.65280       6.722019  368.3075 12.80775 391.0494 36.98156 -22.74191      39.13661 
1 1 1 -4  20 11 o 617.6025 16.68995 89.92538       4.848790  84.39359       5.578605  107.0155       9.805385  598.0149 19.83099 671.7964 31.02828 -73.78149      36.82420 
1 1 1 -4  20 12 o 649.8416 13.53070 99.49766       4.136157  98.53574       5.210568  101.1364       6.800911  646.3521 17.13747 654.2199 22.09907 -7.867859      27.96537 
1 1 1 -4  20 13 o 341.8203 15.44393 27.55218       2.483275  24.97809       3.364371  30.63303       3.680668  324.2706 22.18937 359.3032 21.88116 -35.03259      31.16333 
1 1 1 -4  20 14 o 264.1013 15.59090 16.51102       1.928329  14.82162       3.450762  17.27811       2.325266  247.8743 30.22033 269.8544 18.42799 -21.98007      35.39575 
1 1 1 -4  20 15 o 554.8226 11.85994 72.54340       3.095322  76.64001       5.255645  70.36780       3.830047  569.3061 19.62505 546.1297 14.90867 23.17639       24.64572 
1 1 1 -4  20 16 o 293.2626 13.79090 20.28897       1.902474  20.13780       3.681560  20.34405       2.222174  289.6552 27.34323 293.0533 16.18261 -3.398102      31.77309 
1 1 1 -4  20 17 o 190.8452 19.90955 8.719437       1.761045  9.818669       4.065634  8.465564       1.953852  197.0640 44.86443 187.5368 22.60356 9.527206       50.23682 
1 1 1 -4  20 18 f 428.6093 19.49753 43.54625       3.931068  42.97901       4.447814  45.57075       8.402825  424.7243 22.34084 430.5906 42.02057 -5.866333      47.59035 
1 1 1 -4  20 19 o 343.7021 14.99901 27.93045       2.425014  32.97862       4.341852  25.64175       2.923497  370.9435 25.02910 328.2641 19.01401 42.67935       31.43228 
1 1 1 -4  20 20 o 414.9142 14.62914 40.71677       2.855264  38.49029       4.604512  42.10780       3.639498  400.6808 24.54791 421.2690 18.36592 -20.58813      30.65790 
1 1 1 -4  20 21 o 493.7639 16.82598 57.80867       3.908130  47.02735       8.325742  60.85558       4.426050  435.0362 41.17426 506.1593 18.58916 -71.12308      45.17606 
1 1 1 -4  20 22 f 235.0375 21.62148 13.28850       2.363714  13.38032       3.898666  13.23512       2.972307  231.0778 37.12336 232.9372 27.66701 -1.859375      46.29911 
1 1 1 -4  20 23 o 397.7756 16.53144 37.56293       3.093271  32.73528       4.766141  41.07627       4.065919  367.2779 27.79266 414.3025 20.93056 -47.02454      34.79253 
1 1 1 -4  20 24 o 149.8983 45.28643 5.799356       3.462774  6.056746       3.920937  4.887040       7.381877  153.3725 48.51637 159.8007 64.21538 -6.428238      80.48263 
1 1 1 -4  20 25 o 404.8130 19.34403 39.16585       3.683586  35.68584       5.064779  43.07373       5.367112  381.9861 28.38957 420.4409 27.28474 -38.45480      39.37544 
1 1 1 -4  20 26 o 179.5044 31.99052 8.163558       2.602215  10.53246       3.916330  6.290936       3.482013  199.5262 42.99450 153.8413 45.15810 45.68492       62.35207 
1 1 1 -4  20 27 o 190.9128 38.29477 9.551650       3.319448  9.744352       6.593281  9.486221       3.841870  182.9974 63.11637 187.3251 44.29557 -4.327698      77.10885 
1 1 1 -4  20 28 o 178.7809 35.78534 8.388790       2.904492  11.55767       4.631099  6.334151       3.729056  202.4507 49.12767 151.4528 47.22818 50.99792       68.14712 
1 1 1 -4  20 29 o 126.9925 41.41722 4.320770       2.842290  -0.7541618     4.375466  8.025640       3.738485  98.73382 44.52407 168.0478 45.96555 -69.31396      63.99395 
1 1 1 -4  20 30 o 163.9856 46.26112 7.869208       3.723492  7.196791       4.569850  9.197385       6.422595  154.1555 52.56672 167.1973 61.76029 -13.04182      81.10236 
1 1 1 -4  22 1  o 1403.793 16.94036 464.3548       11.18652  490.9977       14.47102  424.7919       17.63405  1442.723 21.32292 1340.522 27.96461 102.2012       35.16655 
1 1 1 -4  22 2  o 913.9883 11.51224 196.6521       4.949595  198.5671       6.965370  194.6988       7.034714  918.0432 16.12916 909.0256 16.45133 9.017517       23.03901 
1 1 1 -4  22 3  o 781.7905 10.92087 143.8699       4.016216  143.6304       5.608842  144.1219       5.753494  780.8391 15.27012 782.1440 15.63780 -1.304932      21.85674 
1 1 1 -4  22 4  o 490.3723 14.45531 56.64063       3.334437  0.000000       0.000000  56.64063       3.334437  ?        ?        490.3723 14.45531 0.000000       14.45531 
1 1 1 -4  22 5  o 658.1050 10.70053 101.9523       3.312608  99.47974       3.566622  117.4792       8.937742  650.0242 11.66429 704.8528 26.95629 -54.82861      29.37170 
1 1 1 -4  22 6  o 163.4618 13.54577 6.336648       1.032186  6.545317       1.052269  1.025862       5.308568  166.1467 13.58251 128.2488 53.32028 37.89793       55.02306 
1 1 1 -4  22 7  o 692.1942 10.92899 112.8051       3.558584  112.8051       3.558584  0.000000       0.000000  692.1942 10.92899 ?        ?        0.000000       10.92899 
1 1 1 -4  22 8  o 1247.407 13.85022 366.6135       8.127073  370.3340       9.100636  351.9620       18.05969  1253.458 15.43451 1217.825 31.52507 35.63293       35.10063 
1 1 1 -4  22 9  o 488.9770 10.30767 56.29493       2.370928  56.23643       2.495563  56.83710       7.597299  488.6951 10.85578 487.8330 33.30597 0.8621216      35.03049 
1 1 1 -4  22 10 o 265.2314 13.75745 16.62370       1.710559  16.74120       1.786718  15.33294       5.921992  266.1164 14.32575 247.2890 52.53044 18.82747       54.44882 
1 1 1 -4  22 11 o 373.8533 11.73782 32.92644       2.064230  32.54150       2.160027  36.97979       7.009169  371.6290 12.35606 391.3124 38.57996 -19.68341      40.51031 
1 1 1 -4  22 12 o 860.6902 12.08793 174.5644       4.894046  170.7614       5.244797  200.1784       13.61141  851.1228 13.09988 916.6411 31.56709 -65.51831      34.17730 
1 1 1 -4  22 13 o 246.5573 15.15126 14.39877       1.748749  13.79220       1.831886  20.63020       5.871525  241.1601 16.24277 288.9756 44.63160 -47.81555      47.49533 
1 1 1 -4  22 14 o 262.2946 20.57510 16.38904       2.518272  18.64257       3.179050  12.59288       4.126072  279.1657 24.45497 225.2944 40.41800 53.87132       47.24045 
1 1 1 -4  22 15 o 60.62635 28.19258 -1.724967      1.944557  0.6225372      2.770023  -4.005862      2.730441  93.18925 38.61122 64.10740 30.83479 29.08186       49.41266 
1 1 1 -4  22 16 o 383.5346 14.21226 34.73632       2.564113  30.11296       4.622664  36.79095       3.081637  354.0226 27.98643 394.4270 16.60908 -40.40439      32.54384 
1 1 1 -4  22 17 o 548.4813 12.09327 70.98252       3.120145  67.05506       5.013958  73.46459       3.985952  531.6099 20.05018 557.4728 15.19984 -25.86292      25.16039 
1 1 1 -4  22 18 o 397.4244 12.95834 37.29853       2.422553  33.65804       4.269868  39.02668       2.941884  374.8812 24.34498 406.1922 15.39659 -31.31100      28.80509 
1 1 1 -4  22 19 f 260.8981 30.48534 16.59897       3.670828  16.59897       3.670828  0.000000       0.000000  260.8981 30.48534 ?        ?        0.000000       30.48534 
1 1 1 -4  22 20 o 498.6530 13.24360 58.77030       3.106518  44.70849       4.762411  69.18486       4.098516  432.0526 23.52122 540.4001 16.12285 -108.3475      28.51656 
1 1 1 -4  22 21 o 345.5437 15.74198 28.29512       2.558773  17.55334       4.101887  35.13777       3.273842  266.8280 33.41267 384.6024 18.09574 -117.7744      37.99819 
1 1 1 -4  22 22 o 288.6096 21.36325 19.99599       2.879727  0.000000       0.000000  19.99599       2.879727  ?        ?        288.6096 21.36325 0.000000       21.36325 
1 1 1 -4  22 23 o 117.7520 34.53154 3.479903       2.036926  3.868421       3.586828  3.294962       2.474688  129.8648 46.40991 116.9381 38.67097 12.92664       60.40963 
1 1 1 -4  22 24 o 456.2497 15.38340 49.45634       3.301598  43.19116       4.883235  54.73186       4.480987  422.3872 24.68435 478.3492 19.91404 -55.96198      31.71570 
1 1 1 -4  22 25 o 325.4500 24.75517 25.79388       3.761414  22.67312       4.243023  37.24733       8.128563  302.4806 30.22470 376.1841 46.95771 -73.70349      55.84406 
1 1 1 -4  22 26 o 114.8776 36.68609 3.330644       2.237816  7.300724       3.290474  -0.8576238E-01 3.052416  164.9871 42.22189 88.94897 38.78219 76.03813       57.33015 
1 1 1 -4  22 27 o 108.8802 39.27669 2.773281       2.574962  2.596314       3.938456  2.905402       3.403030  117.3266 46.99041 115.9955 44.48855 1.331154       64.70958 
1 1 1 -4  22 28 o 110.7723 43.92587 2.450875       3.408340  0.000000       0.000000  2.450875       3.408340  ?        ?        110.7723 43.92587 0.000000       43.92587 
1 1 1 -4  24 1  o 299.9065 14.90977 21.19903       2.103420  21.85253       2.375436  18.82580       4.526770  303.9606 16.67705 279.1590 35.25838 24.80161       39.00356 
1 1 1 -4  24 2  o 191.9366 18.29877 8.770660       1.632139  8.976559       2.223335  8.530025       2.403576  193.1974 25.05434 187.7136 28.08315 5.483810       37.63488 
1 1 1 -4  24 3  o 560.4100 10.76555 73.95071       2.837995  80.31914       4.204684  68.62167       3.846282  583.7048 15.31337 539.5412 15.15470 44.16357       21.54447 
1 1 1 -4  24 4  o 282.7097 15.58155 18.90131       2.064146  13.76338       3.971496  20.80290       2.416116  237.6306 36.71215 296.4419 17.40272 -58.81131      40.62803 
1 1 1 -4  24 5  o 438.0779 11.27896 45.19817       2.324287  45.32179       2.506883  44.44115       6.203724  438.6297 12.14973 431.4855 30.76604 7.144196       33.07817 
1 1 1 -4  24 6  o 287.6026 9.703727 19.47489       1.312807  19.91004       1.350794  12.06302       5.574888  290.7926 9.874983 218.7387 54.40593 72.05389       55.29485 
1 1 1 -4  24 7  o 312.4900 9.552517 22.99174       1.404181  22.38568       1.442911  33.82878       6.101533  308.3301 9.948427 375.0291 34.99046 -66.69904      36.37724 
1 1 1 -4  24 8  o 265.8825 30.42168 17.02854       3.736408  13.94768       4.805982  21.73603       5.940753  236.9565 44.75694 297.5591 43.74832 -60.60260      62.58673 
1 1 1 -4  24 9  o 820.1177 20.14559 159.0447       7.771870  163.7039       10.86446  154.1617       11.12224  830.0324 27.82555 805.0119 29.37113 25.02051       40.45892 
1 1 1 -4  24 10 o 994.1721 21.00777 233.9299       9.824509  229.2806       13.45530  239.2390       14.37851  981.4107 29.14561 1001.924 30.50773 -20.51331      42.19228 
1 1 1 -4  24 11 o 561.4791 21.98591 74.70144       5.806939  74.28657       8.062509  75.14864       8.370662  557.0999 30.88669 560.0074 31.90791 -2.907532      44.40836 
1 1 1 -4  24 12 o 969.7646 12.47978 221.7685       5.693017  221.5288       6.164841  223.1570       14.83786  969.0214 13.52444 965.4951 32.67021 3.526306       35.35892 
1 1 1 -4  24 13 o 189.2407 17.83794 8.545284       1.569184  8.582951       1.619457  7.966707       6.347032  189.5754 18.39148 182.3380 61.95165 7.237488       64.62394 
1 1 1 -4  24 14 o 168.3044 33.91226 7.042545       2.592074  5.472652       2.876902  13.81391       5.974868  147.7835 40.28095 231.1517 55.62315 -83.36827      68.67670 
1 1 1 -4  24 15 o 564.9137 15.90933 75.45673       4.227693  78.68649       5.056510  67.95482       7.706416  576.3086 18.65205 531.3598 30.96569 44.94879       36.14931 
1 1 1 -4  24 16 o 246.4767 21.75692 14.54795       2.496674  12.12357       3.100195  19.02185       4.211454  222.8368 30.36624 279.3198 32.66962 -56.48294      44.60283 
1 1 1 -4  24 17 o 310.2769 21.81079 23.00803       3.163156  21.22176       6.866909  23.48914       3.563764  287.2982 52.75526 312.9026 24.40496 -25.60440      58.12675 
1 1 1 -4  24 18 o 232.2612 19.13226 12.89106       2.071721  10.54584       3.473939  14.18550       2.580887  205.2344 37.35983 242.9369 22.85288 -37.70248      43.79510 
1 1 1 -4  24 19 o 328.4300 13.61011 25.50131       2.102683  22.24537       3.739109  27.00715       2.542849  303.5075 26.45413 337.6551 16.00951 -34.14755      30.92128 
1 1 1 -4  24 20 o 441.8801 19.64441 46.46862       4.083314  48.80183       4.741791  39.77408       8.032025  452.0757 22.29780 397.8141 43.63806 54.26151       49.00482 
1 1 1 -4  24 21 o 74.22786 29.71720 0.6956791      1.574473  -1.058597      3.538406  1.128767       1.758113  91.07366 40.63263 82.56884 31.89567 8.504822       51.65602 
1 1 1 -4  24 22 o 60.11713 26.95810 -0.6556600     1.578812  1.139399       3.220184  -1.223704      1.811475  101.7784 41.84666 60.69189 27.85967 41.08647       50.27230 
1 1 1 -4  24 23 o 193.8427 25.57530 9.230884       2.275115  14.00416       6.536359  8.572865       2.426871  222.6266 60.73104 185.6819 28.71120 36.94478       67.17583 
1 1 1 -4  24 24 o 200.1297 24.04795 9.816865       2.218581  10.75031       3.396173  9.121978       2.930235  204.5323 36.64460 189.0534 34.20882 15.47890       50.13053 
1 1 1 -4  24 25 o 236.9071 32.30886 14.19567       3.506661  14.19567       3.506661  0.000000       0.000000  236.9071 32.30886 ?        ?        0.000000       32.30886 
1 1 1 -4  24 26 o 160.1121 37.19869 6.806731       2.748230  6.201701       3.181582  8.585018       5.454506  150.8885 42.83117 171.5806 57.43507 -20.69209      71.64703 
1 1 1 -4  26 1  o 202.3768 16.53447 9.730165       1.560305  10.90274       1.992229  7.869732       2.509438  213.8342 20.03955 179.3929 30.84956 34.44131       36.78694 
1 1 1 -4  26 2  o 313.4412 12.58714 23.15442       1.855890  24.41317       2.549764  21.73617       2.706493  321.1419 16.93840 302.6965 19.10576 18.44540       25.53311 
1 1 1 -4  26 3  o 771.6980 12.93642 140.3734       4.696030  128.3591       7.367423  148.5948       6.094552  736.5663 21.26348 793.4607 16.32853 -56.89435      26.80964 
1 1 1 -4  26 4  o 345.2976 14.10507 28.11816       2.291069  29.06659       4.500157  27.78632       2.661860  348.6908 27.66295 343.0859 16.49351 5.604858       32.20675 
1 1 1 -4  26 5  f 454.6382 10.80981 48.69396       2.311817  47.68855       2.441632  57.40191       7.185655  449.8694 11.53784 489.7248 31.35681 -39.85544      33.41214 
1 1 1 -4  26 6  o 439.8028 9.238578 45.55011       1.911315  45.55011       1.911315  0.000000       0.000000  439.8028 9.238578 ?        ?        0.000000       9.238578 
1 1 1 -4  26 7  o 459.3759 21.96029 49.99350       4.745430  48.18669       6.125694  52.70512       7.504341  448.8564 29.17033 468.0594 34.32267 -19.20297      45.04391 
1 1 1 -4  26 8  f 825.0859 20.38567 161.1638       7.912130  160.1367       10.60120  162.4554       11.88791  820.2809 27.47406 825.0223 30.63165 -4.741394      41.14756 
1 1 1 -4  26 9  o 587.7421 32.26424 82.87753       8.886133  0.000000       0.000000  82.87753       8.886133  ?        ?        587.7421 32.26424 0.000000       32.26424 
1 1 1 -4  26 10 f 355.8336 26.85552 30.31670       4.462090  27.17896       5.815039  34.80975       6.958479  333.8981 37.68195 377.6609 39.76666 -43.76282      54.78427 
1 1 1 -4  26 11 o 462.1961 24.09305 50.90756       5.220128  51.45660       6.974166  50.20809       7.871827  462.3240 32.27075 454.9792 37.10334 7.344818       49.17377 
1 1 1 -4  26 12 o 634.6953 22.07526 95.62561       6.590836  86.35554       8.407540  110.4043       10.61561  600.9027 29.74373 678.0291 33.28339 -77.12634      44.63713 
1 1 1 -4  26 13 o 355.2055 28.94277 30.36068       4.793984  22.88347       6.168430  41.76576       7.618233  303.1272 44.59193 413.2336 39.67914 -110.1064      59.68982 
1 1 1 -4  26 14 o 435.5025 10.54465 44.71362       2.160191  43.71702       2.226868  60.61237       8.894346  430.5778 10.99445 498.6849 38.20625 -68.10712      39.75670 
1 1 1 -4  26 15 o 72.29165 28.92668 0.6315781      1.490953  0.4535725      1.531896  3.828776       6.492277  70.86991 28.96829 152.7159 60.60349 -81.84602      67.17101 
1 1 1 -4  26 16 o 134.6199 36.43603 4.547047       2.363658  4.213859       2.538322  6.721166       6.484012  130.3658 38.63564 171.5430 62.25781 -41.17725      73.27174 
1 1 1 -4  26 17 o 172.4669 28.56729 7.323076       2.236507  7.225194       2.723947  7.525566       3.917851  169.5786 35.29564 171.1153 47.15914 -1.536713      58.90472 
1 1 1 -4  26 18 o 167.9803 39.66044 7.197247       3.083690  11.02557       5.622742  5.550458       3.687763  203.8345 56.61852 148.9904 47.04329 54.84407       73.61201 
1 1 1 -4  26 19 o 333.7064 16.33157 26.41485       2.563668  23.79813       3.414555  29.79579       3.881273  314.5783 23.23921 352.0699 23.57175 -37.49161      33.10118 
1 1 1 -4  26 20 o 187.2891 22.35638 8.508890       1.930697  6.307312       2.895293  10.27180       2.590842  156.5511 39.35801 204.5244 27.63720 -47.97327      48.09228 
1 1 1 -4  26 21 o 196.9396 46.19476 10.24405       4.205568  16.24554       6.298657  5.416172       5.649328  243.9205 56.06870 153.6945 57.69419 90.22603       80.45073 
1 1 1 -4  26 22 o 175.9838 47.61700 8.310159       4.037612  5.989893       5.782786  10.51724       5.639984  157.1475 58.49285 194.2449 57.59631 -37.09747      82.08987 
1 1 1 -4  26 23 o 118.9708 52.69894 -0.2129608     5.845117  -0.2129608     5.845117  0.000000       0.000000  118.9708 52.69894 ?        ?        0.000000       52.69894 
1 1 1 -4  26 24 o 235.0067 54.80385 15.73722       5.947064  0.000000       0.000000  15.73722       5.947064  ?        ?        235.0067 54.80385 0.000000       54.80385 
1 1 1 -4  28 1  o 484.8580 11.03994 55.39442       2.517970  61.02504       3.549563  49.69100       3.572441  508.5274 14.83854 458.6942 16.55665 49.83322       22.23297 
1 1 1 -4  28 2  o 264.2080 14.25667 16.51673       1.765318  14.68068       2.444995  18.51620       2.551482  248.1088 21.15113 279.0959 19.55792 -30.98708      28.80768 
1 1 1 -4  28 3  o 300.6650 14.57978 21.33161       2.062069  26.50119       3.514539  18.61777       2.546436  333.6273 22.52624 279.8684 19.46346 53.75894       29.77008 
1 1 1 -4  28 4  o 209.1825 17.63081 10.41416       1.718697  9.781630       2.870638  10.76759       2.145793  200.0650 31.54799 212.0804 21.82023 -12.01540      38.35881 
1 1 1 -4  28 5  o 178.9986 15.27005 7.618411       1.273461  7.597586       1.313326  7.945899       5.208103  178.6857 15.78717 179.2168 55.80197 -0.5311279     57.99220 
1 1 1 -4  28 6  o 527.9435 20.06424 65.98661       4.982870  62.78241       6.267299  71.49228       8.215338  513.1829 26.04745 545.8506 32.13681 -32.66766      41.36718 
1 1 1 -4  28 7  o 831.3730 20.12221 163.6698       7.869388  165.4875       10.74109  161.5636       11.56222  833.5831 27.39239 822.6727 29.87753 10.91040       40.53406 
1 1 1 -4  28 8  f 211.3195 37.68961 11.06102       3.609139  11.02854       4.571598  11.11475       5.880095  208.5742 47.63955 208.1130 57.93277 0.4611664      75.00488 
1 1 1 -4  28 9  o 584.5677 21.54521 81.04366       5.924543  77.94293       7.728084  85.46374       9.226894  570.7003 28.88087 596.1147 33.03370 -25.41443      43.87858 
1 1 1 -4  28 10 o 467.4268 23.51795 52.04907       5.154569  57.75863       6.936024  45.00595       7.703566  490.4833 30.20890 429.9183 38.49995 60.56500       48.93694 
1 1 1 -4  28 11 o 435.6675 32.89548 45.83829       6.691862  45.83829       6.691862  0.000000       0.000000  435.6675 32.89548 ?        ?        0.000000       32.89548 
1 1 1 -4  28 12 f 630.5057 22.39425 94.48202       6.641939  86.65280       8.716684  105.3211       10.25623  600.2299 30.97759 661.7013 32.95007 -61.47137      45.22519 
1 1 1 -4  28 13 o 672.6903 22.96609 107.6835       7.267275  108.3532       9.975659  106.9263       10.60846  671.3058 31.59016 664.9144 34.03103 6.391418       46.43328 
1 1 1 -4  28 14 o 196.4270 60.84736 9.997028       6.201458  0.000000       0.000000  9.997028       6.201458  ?        ?        196.4270 60.84736 0.000000       60.84736 
1 1 1 -4  28 15 o 380.2278 27.28371 34.82626       4.847520  33.85851       6.443734  36.08799       7.357676  371.0678 37.42728 381.2569 41.70563 -10.18903      56.03714 
1 1 1 -4  28 16 o 97.38539 42.08489 -0.1134087     3.530071  -3.064804      4.726758  3.608799       5.308233  97.18462 44.75568 141.2805 55.18567 -44.09592      71.05299 
1 1 1 -4  28 17 o 138.4176 52.93839 3.784186       4.809978  3.784186       4.809978  0.000000       0.000000  138.4176 52.93839 ?        ?        0.000000       52.93839 
1 1 1 -4  28 18 o 284.7115 32.21135 19.96525       4.238142  17.88050       5.871806  22.23246       6.123384  261.5320 49.54216 294.3679 45.70347 -32.83594      67.40350 
1 1 1 -4  28 19 o 78.12602 36.82709 -3.484720      3.513036  -5.781808      4.949123  -1.151903      4.987464  88.68722 42.35144 107.9799 48.20314 -19.29270      64.16531 
1 1 1 -4  28 20 o 190.3926 57.87233 9.997028       5.642371  0.000000       0.000000  9.997028       5.642371  ?        ?        190.3926 57.87233 0.000000       57.87233 
1 1 1 -4  28 21 o 177.0909 49.37757 8.517122       4.267997  7.651606       6.016993  9.393579       6.054903  169.5418 60.16071 183.3797 60.48190 -13.83792      85.30751 
1 1 1 -4  30 1  o 345.8682 12.24765 28.20599       1.992658  29.79614       2.716208  26.35281       2.932266  355.1476 16.25866 333.2333 18.78279 21.91428       24.84224 
1 1 1 -4  30 2  o 387.8410 14.42741 35.50263       2.632155  34.90634       3.024080  37.36623       5.346129  384.3401 16.72663 394.7927 28.99004 -10.45261      33.46943 
1 1 1 -4  30 3  o 441.5889 11.14204 45.96130       2.314473  46.18936       3.252739  45.72742       3.293967  442.2314 15.63617 439.9817 15.91532 2.249756       22.31115 
1 1 1 -4  30 4  o 385.2931 13.90816 35.03303       2.520753  34.99387       2.806995  35.19620       5.729719  384.9216 15.50244 382.1380 32.17389 2.783630       35.71393 
1 1 1 -4  30 5  o 265.8777 10.63044 16.66002       1.329544  16.66002       1.329544  0.000000       0.000000  265.8777 10.63044 ?        ?        0.000000       10.63044 
1 1 1 -4  30 6  o 188.0631 41.11710 8.888722       3.536008  6.935196       4.506416  12.01843       5.703925  167.3090 51.87622 215.9732 55.76033 -48.66422      76.16007 
1 1 1 -4  30 7  o 309.4920 28.25229 23.05085       4.067784  26.33472       5.492238  19.06064       6.054157  328.7427 36.11092 275.0206 48.57331 53.72214       60.52575 
1 1 1 -4  30 8  o 257.7695 50.74955 16.91736       5.934611  0.000000       0.000000  16.91736       5.934611  ?        ?        257.7695 50.74955 0.000000       50.74955 
1 1 1 -4  30 9  o 281.3808 31.16357 19.21367       4.055613  20.21700       5.366472  17.87753       6.192895  285.6091 41.12968 264.5483 51.61769 21.06079       66.00028 
1 1 1 -4  30 10 o 223.2244 38.03472 12.39379       3.850663  11.44471       5.120054  13.62961       5.842502  210.4854 52.01185 229.0353 54.93519 -18.54985      75.65122 
1 1 1 -4  30 11 o 411.1135 23.89767 40.40918       4.601599  43.81689       6.404053  36.77170       6.616429  425.3880 32.24346 387.8192 36.70476 37.56888       48.85571 
1 1 1 -4  30 12 o 146.9460 45.86469 5.352269       3.515943  5.538050       5.079092  5.181332       4.871961  155.4694 55.26206 151.3815 54.08992 4.087952       77.32796 
1 1 1 -4  30 13 o 271.1595 30.78005 17.93830       3.856558  18.55232       5.409796  17.30381       5.499298  271.0427 43.93400 260.5069 46.58654 10.53583       64.03517 
1 1 1 -4  30 14 o 220.1561 37.33167 12.14367       3.728009  14.07551       5.298489  10.24970       5.246299  232.5875 49.92145 197.1155 54.66838 35.47200       74.03231 
1 1 1 -4  30 15 o 194.2826 41.35592 9.666038       3.663567  7.898335       5.259777  11.33175       5.105787  174.8448 56.28657 206.9244 52.39998 -32.07953      76.90211 
1 1 1 -4  30 16 o 162.8932 54.45631 6.730084       4.903339  6.730084       4.903339  0.000000       0.000000  162.8932 54.45631 ?        ?        0.000000       54.45631 
1 1 1 -4  30 17 o 134.7679 45.89283 4.405750       3.483086  2.399227       4.676553  6.905470       5.219747  125.9508 50.93567 164.4510 56.17986 -38.50018      75.83284 
1 1 1 -4  30 18 o 215.0313 40.74133 11.93860       3.970179  16.05827       5.732917  8.142094       5.503472  244.5170 51.47053 174.5069 57.66720 70.01010       77.29633 
1 1 1 -4  32 1  o 697.9114 20.47957 115.5173       6.723423  115.5173       6.723423  0.000000       0.000000  697.9114 20.47957 ?        ?        0.000000       20.47957 
1 1 1 -4  32 2  o 296.6589 20.30052 20.96571       2.815890  19.01011       3.666410  23.77824       4.396932  280.7342 28.14258 313.7363 30.16492 -33.00214      41.25443 
1 1 1 -4  32 3  f 525.0963 17.29560 65.24749       4.272126  74.25684       5.926129  55.49941       6.164303  558.9932 22.53696 481.3604 27.33627 77.63281       35.42860 
1 1 1 -4  32 4  o 124.1949 39.85760 3.681997       2.638977  4.922711       3.569522  2.186385       3.919074  143.0167 46.40314 119.8039 47.23028 23.21280       66.21141 
1 1 1 -4  32 5  o 352.1339 23.01641 29.61762       3.791569  40.27943       5.611825  20.66290       5.142976  409.0652 29.35895 289.4600 38.74266 119.6052       48.61010 
1 1 1 -4  32 6  o 135.4417 44.75560 4.352820       3.314939  9.117124       5.263248  1.220274       4.267788  188.3686 55.58428 116.0470 47.99131 72.32159       73.43553 
1 1 1 -4  32 7  o 242.2468 32.75626 14.37945       3.636961  9.063616       5.052052  20.09810       5.239971  187.5187 54.20950 284.5513 40.27166 -97.03265      67.53130 
1 1 1 -4  32 8  o 140.1922 44.90720 4.789127       3.351200  3.498811       5.032093  5.817480       4.492329  139.2373 53.91243 155.3336 52.12307 -16.09624      74.98910 
1 1 1 -4  32 9  o 249.3186 32.17466 15.23072       3.685397  17.80916       5.414720  13.00535       5.030356  265.3054 44.99487 224.5231 49.00468 40.78232       66.52817 
1 1 1 -4  32 10 o 141.0146 53.31488 3.986326       4.843346  3.986326       4.843346  0.000000       0.000000  141.0146 53.31488 ?        ?        0.000000       53.31488 
1 1 1 -4  32 11 o 84.19235 38.23723 -1.710948      3.295631  -1.183115      4.574929  -2.280321      4.751540  104.2575 46.38056 100.9825 45.88202 3.275032       65.24045 
1 1 1 -4  32 12 o 206.2792 38.68266 10.76187       3.615645  14.57194       5.178318  7.137337       5.050662  237.0564 48.08189 167.8124 55.23380 69.24405       73.23005 
1 1 1 -4  32 13 o 132.2327 51.19827 3.290726       4.538039  0.000000       0.000000  3.290726       4.538039  ?        ?        132.2327 51.19827 0.000000       51.19827 
1 1 1 -3  1  1  o 987.9144 14.32479 229.7297       6.656973  229.7297       6.656973  0.000000       0.000000  987.9144 14.32479 ?        ?        0.000000       14.32479 
1 1 1 -3  1  2  o 1019.982 10.32332 244.7946       4.953146  257.9980       7.388787  234.0186       6.675073  1046.890 15.00385 997.0961 14.23147 49.79431       20.67970 
1 1 1 -3  1  3  o 587.8578 7.535261 81.29791       2.083723  84.62370       3.047096  78.37650       2.855850  599.6921 10.80161 577.1389 10.51927 22.55322       15.07746 
1 1 1 -3  1  4  o 619.6637 9.386971 90.34418       2.736219  89.62545       4.686566  90.71587       3.370281  616.9870 16.14766 620.8828 11.53951 -3.895752      19.84709 
1 1 1 -3  1  5  o 828.4677 13.93247 161.5547       5.429665  161.5547       5.429665  0.000000       0.000000  828.4677 13.93247 ?        ?        0.000000       13.93247 
1 1 1 -3  1  6  o 1855.397 17.88904 810.6959       15.61324  814.7086       22.20367  806.7709       21.95928  1858.800 25.39351 1849.752 25.23686 9.048340       35.80125 
1 1 1 -3  1  7  o 1681.605 16.62549 665.8171       13.15127  662.1488       18.47641  669.5841       18.72347  1676.076 23.43443 1685.432 23.61596 -9.356201      33.26991 
1 1 1 -3  1  8  f 1147.295 14.79637 309.8636       7.985454  307.6695       13.72865  310.9856       9.817019  1142.234 25.55075 1149.115 18.16129 -6.881348      31.34763 
1 1 1 -3  1  9  f 215.2449 15.76320 10.96714       1.584950  13.82720       2.341771  8.549551       2.153020  241.3427 20.83136 188.7882 24.84765 52.55455       32.42455 
1 1 1 -3  1  10 o 340.5831 13.06502 27.30641       2.093160  31.61711       3.072923  23.57502       2.858991  366.3435 17.83174 315.7045 19.34471 50.63901       26.30948 
1 1 1 -3  1  11 o 287.1519 17.60213 19.50729       2.366168  19.67004       4.059002  19.42352       2.912161  286.6861 30.56988 286.0864 21.80376 0.5997009      37.54892 
1 1 1 -3  1  12 o 105.4773 33.68743 2.588358       1.886901  5.433435       2.693836  -0.1520686     2.643828  148.2208 38.34533 85.39392 36.65778 62.82684       53.04863 
1 1 1 -3  1  13 o 468.5402 13.56265 51.72717       2.989239  56.29485       4.287299  47.40603       4.169986  488.3953 18.66135 448.0867 19.78351 40.30862       27.19620 
1 1 1 -3  1  14 o 454.9024 15.83127 48.76619       3.387687  47.84342       4.230220  50.41618       5.656596  450.3199 19.96975 461.0256 26.19127 -10.70578      32.93589 
1 1 1 -3  1  15 o 679.3353 13.50399 108.6537       4.315345  101.0657       5.911762  117.3085       6.313685  654.8495 19.19138 705.5242 19.02399 -50.67468      27.02261 
1 1 1 -3  1  16 o 135.2456 35.89489 4.480915       2.321570  4.088944       3.320729  4.855652       3.246907  134.8264 44.80632 143.0722 43.98003 -8.245850      62.78415 
1 1 1 -3  1  17 o 884.2745 14.18791 184.0829       5.901668  186.8084       8.504855  181.5516       8.196140  890.3672 20.30619 877.7870 19.84956 12.58026       28.39624 
1 1 1 -3  1  18 o 677.3823 17.27751 108.0814       5.505342  117.8940       6.981297  91.94412       8.952848  707.2145 20.98532 623.7916 30.51072 83.42291       37.03090 
1 1 1 -3  1  19 o 229.4121 26.99767 12.59900       2.857728  9.818130       4.050842  15.35419       4.032098  199.3716 44.33932 252.2938 34.91010 -52.92221      56.43306 
1 1 1 -3  1  20 o 147.9262 49.55481 4.928967       4.060468  4.928967       4.060468  0.000000       0.000000  147.9262 49.55481 ?        ?        0.000000       49.55481 
1 1 1 -3  1  21 o 1110.556 18.40704 290.8354       9.615986  289.8038       16.34328  291.3815       11.89232  1105.847 31.41775 1110.837 22.75866 -4.990845      38.79474 
1 1 1 -3  1  22 o 787.0279 16.00484 146.0335       5.925308  140.1772       8.203649  152.4208       8.567490  770.1698 22.64390 803.0947 22.67867 -32.92493      32.04791 
1 1 1 -3  1  23 o 403.5278 30.36116 38.92354       5.720930  38.92354       5.720930  0.000000       0.000000  403.5278 30.36116 ?        ?        0.000000       30.36116 
1 1 1 -3  1  24 o 520.0792 21.92043 64.08182       5.362752  65.00034       6.486867  62.09870       9.531583  522.2743 26.49055 506.1188 40.37119 16.15546       48.28646 
1 1 1 -3  1  25 o 486.4568 19.30632 56.06313       4.417872  52.93979       6.143991  59.40688       6.357086  470.0763 27.91029 498.2679 27.22533 -28.19153      38.98978 
1 1 1 -3  1  26 o 153.8906 47.78311 5.911206       3.821820  6.170279       4.966584  5.535078       5.984322  160.3704 54.80048 160.3326 59.53796 0.3779602E-01  80.91885 
1 1 1 -3  1  27 o 485.1660 27.78723 56.84729       6.315304  62.84186       9.608976  52.28894       8.379176  502.6721 40.99412 459.3805 39.14924 43.29166       56.68493 
1 1 1 -3  1  28 o 392.5638 21.77474 37.00310       4.005220  35.30280       5.816646  38.53618       5.523211  378.4415 33.00450 397.1615 29.78027 -18.71994      44.45404 
1 1 1 -3  1  29 o 142.9724 48.07255 5.185800       3.821330  0.4521404      6.914003  7.267780       4.585317  132.0719 57.95429 164.8620 52.49962 -32.79010      78.19789 
1 1 1 -3  1  30 o 268.3556 35.45614 18.30251       4.366206  21.03737       5.393157  13.10048       7.438093  284.2483 41.56246 208.9307 66.90076 75.31761       78.76008 
1 1 1 -3  1  31 o 190.7404 38.75167 9.580929       3.358383  10.91035       4.834764  8.341354       4.668539  196.7464 51.60102 172.1431 52.70659 24.60330       73.76076 
1 1 1 -3  1  32 o 364.4181 24.13077 32.59508       4.113160  29.63974       5.726905  35.74374       5.911247  338.5261 36.54279 374.2690 33.94506 -35.74292      49.87627 
1 1 1 -3  1  33 o 109.0588 43.37387 2.348670       3.332258  3.641540       4.632306  0.9621998      4.797060  127.6016 51.01269 111.6662 48.65447 15.93541       70.49505 
1 1 1 -3  1  34 o 168.2632 41.42813 8.000246       3.257221  12.85812       4.625804  3.223010       4.587250  209.0182 48.05236 121.9538 50.02075 87.06445       69.36213 
1 1 1 -3  1  35 o 179.0535 52.52968 10.39356       4.712760  12.04816       6.908776  8.953628       6.445061  178.2318 64.32905 158.8347 61.14945 19.39705       88.75518 
1 1 1 -3  1  36 o 139.8333 49.09187 6.436287       3.997233  4.078478       5.470123  9.137932       5.855405  122.9713 52.75721 154.7650 58.59520 -31.79373      78.84618 
1 1 1 -3  3  1  o 91.67348 9.225666 1.997292       0.3924379 1.755636       0.5274516 2.296951       0.5873497 85.31052 13.60016 97.92477 13.07749 -12.61425      18.86757 
1 1 1 -3  3  2  o 702.8953 8.202712 116.2337       2.712173  114.4698       3.731114  118.2100       3.949368  697.4589 11.37236 708.7468 11.84587 -11.28796      16.42119 
1 1 1 -3  3  3  o 528.4835 7.263525 65.70374       1.805711  65.50403       2.536492  65.90896       2.571182  527.6274 10.21967 529.2534 10.32761 -1.626038      14.52932 
1 1 1 -3  3  4  o 909.0793 10.02031 194.4513       4.285012  192.1668       5.995764  196.8362       6.126185  903.5521 14.10659 914.4570 14.24156 -10.90491      20.04539 
1 1 1 -3  3  5  o 653.1947 10.39897 100.3936       3.195230  100.4489       3.832784  100.2675       5.785510  653.3149 12.47161 652.4730 18.84993 0.8418579      22.60223 
1 1 1 -3  3  6  o 1284.080 13.31009 388.0783       8.039742  378.1328       11.07753  399.1479       11.68674  1267.109 18.58487 1301.796 19.08453 -34.68726      26.63863 
1 1 1 -3  3  7  o 248.7803 13.54169 14.61054       1.578773  15.80566       2.060957  12.91320       2.456109  258.5241 17.04282 232.9812 22.69911 25.54297       28.38498 
1 1 1 -3  3  8  o 627.9738 10.22782 92.79167       3.021299  92.09274       4.281016  93.48524       4.264555  625.4666 14.55035 630.1837 14.38591 -4.717163      20.46136 
1 1 1 -3  3  9  o 786.4036 11.07400 145.5380       4.096561  144.3234       5.803487  146.7442       5.783390  782.8876 15.75870 789.4369 15.57384 -6.549255      22.15584 
1 1 1 -3  3  10 f 594.0967 12.81446 83.09148       3.581184  89.12010       6.316976  80.23631       4.347275  614.7283 21.84523 583.6578 15.83396 31.07050       26.98015 
1 1 1 -3  3  11 o 281.0546 15.63110 18.67159       2.058399  18.50871       2.911722  18.83431       2.910309  279.0948 22.36624 281.5817 22.15062 -2.486877      31.47854 
1 1 1 -3  3  12 o 417.5047 15.68925 41.09657       3.081292  41.43638       3.666428  40.27943       5.685503  419.0235 18.60097 411.0357 29.60313 7.987762       34.96200 
1 1 1 -3  3  13 o 803.2960 18.08909 152.2214       6.835365  152.2214       6.835365  0.000000       0.000000  803.2960 18.08909 ?        ?        0.000000       18.08909 
1 1 1 -3  3  14 o 814.6266 15.62679 156.3426       5.988219  161.8355       7.379168  145.7491       10.24770  828.4919 18.93432 785.1437 27.74648 43.34827       33.59131 
1 1 1 -3  3  15 o 986.8563 15.99863 229.3573       7.426873  241.7955       13.49432  223.9525       8.895304  1011.854 28.35069 974.8615 19.39762 36.99298       34.35155 
1 1 1 -3  3  16 o 1649.419 18.01135 640.8237       13.97483  672.4629       20.73512  614.4907       18.91662  1688.284 26.10908 1614.094 24.91411 74.19031       36.08874 
1 1 1 -3  3  17 o 337.1636 18.40609 26.85841       2.908213  27.97231       4.267067  25.89217       3.974200  343.2816 26.63316 330.2940 25.78307 12.98764       37.06875 
1 1 1 -3  3  18 o 768.0332 14.43766 138.8855       5.216101  149.8699       7.793622  129.9731       7.020210  797.3773 20.77812 742.6152 20.09634 54.76202       28.90663 
1 1 1 -3  3  19 o 585.2048 15.40162 80.65788       4.239782  84.57295       6.178703  77.17402       5.828523  598.8202 21.93469 572.0463 21.65998 26.77386       30.82670 
1 1 1 -3  3  20 o 570.4244 15.88611 76.65915       4.262703  70.60290       5.902405  83.26147       6.162765  546.9312 22.94177 594.0198 22.05491 -47.08856      31.82364 
1 1 1 -3  3  21 f 280.9301 24.29699 18.78628       3.179242  20.58780       4.548254  17.06504       4.445753  292.6818 33.64749 265.5558 36.55855 27.12592       49.68583 
1 1 1 -3  3  22 o 321.7017 23.30231 24.59462       3.502427  22.84812       5.075342  26.18253       4.839434  307.8071 35.71620 330.6166 31.49806 -22.80951      47.62115 
1 1 1 -3  3  23 o 527.4597 20.45536 65.76914       5.075348  67.00357       9.165248  65.22319       6.095223  528.0927 37.13094 524.6584 24.69697 3.434326       44.59425 
1 1 1 -3  3  24 o 368.0011 21.74358 32.19872       3.747286  32.64146       5.550563  31.82791       5.079623  368.1552 32.37995 364.1270 29.92039 4.028229       44.08731 
1 1 1 -3  3  25 o 377.6279 22.39363 33.99479       3.960183  32.18698       5.512474  35.92292       5.692975  364.7210 32.47003 385.7122 31.65578 -20.99115      45.34745 
1 1 1 -3  3  26 o 456.1667 20.12825 49.44487       4.319157  59.58591       6.290802  40.40134       5.940646  498.0789 26.94991 408.3621 31.16088 89.71677       41.19828 
1 1 1 -3  3  27 o 273.0643 28.14020 18.14843       3.562825  16.64212       5.164291  19.51652       4.921653  255.0523 44.67188 279.3969 38.46721 -24.34464      58.95169 
1 1 1 -3  3  28 o 361.8432 22.63493 31.51892       3.833364  37.24947       5.670253  26.69518       5.202313  389.5963 31.20167 328.0297 34.21796 61.56659       46.30781 
1 1 1 -3  3  29 o 221.4582 34.41145 12.39985       3.468425  16.28014       4.972201  8.722198       4.840631  249.4145 43.98731 178.6228 53.44911 70.79176       69.22204 
1 1 1 -3  3  30 o 210.6382 35.26555 11.36043       3.370750  11.44497       4.564332  11.25901       4.999218  204.8593 48.17363 200.9590 52.35819 3.900375       71.14829 
1 1 1 -3  3  31 o 266.3905 32.88057 17.97660       4.032849  20.83798       5.105353  13.22830       6.576697  282.8677 39.44143 209.8160 62.19155 73.05174       73.64384 
1 1 1 -3  3  32 o 349.9229 25.19475 30.18651       4.119415  30.70598       5.843541  29.67332       5.808086  344.4119 36.63078 338.1144 37.12865 6.297455       52.15698 
1 1 1 -3  3  33 o 138.9845 52.26672 5.142476       4.640502  0.3745542      6.565589  9.901903       6.559738  121.8584 54.78446 176.2171 62.78485 -54.35870      83.32631 
1 1 1 -3  3  34 o 337.4443 28.67565 29.06209       4.508690  37.90131       8.314294  25.37993       5.366231  358.3562 50.74002 306.4211 38.04786 51.93512       63.42073 
1 1 1 -3  3  35 f 349.4719 26.79817 31.27914       4.371855  30.23187       7.273367  31.87155       5.470352  312.9060 51.18440 344.1772 34.24273 -31.27112      61.58252 
1 1 1 -3  3  36 o 81.67302 39.80754 -5.371582      4.951529  -5.371582      4.951529  0.000000       0.000000  81.67302 39.80754 ?        ?        0.000000       39.80754 
1 1 1 -3  5  1  o 191.6011 8.023515 8.636535       0.7231560 9.661345       1.009878  7.557985       1.036017  202.3515 10.64690 178.7802 12.39563 23.57129       16.34038 
1 1 1 -3  5  2  o 1539.724 14.92071 558.0663       10.80691  548.5034       12.20630  592.7468       23.24494  1526.285 17.00117 1584.629 31.18398 -58.34387      35.51733 
1 1 1 -3  5  3  o 1305.366 14.92904 401.1133       9.167135  381.9857       14.65473  413.4094       11.74986  1272.966 24.47325 1324.894 18.85307 -51.92859      30.89301 
1 1 1 -3  5  4  o 856.2679 9.643126 172.5083       3.884158  173.4014       5.520339  171.6327       5.466121  858.3307 13.67231 853.9448 13.60755 4.385864       19.28983 
1 1 1 -3  5  5  o 428.1616 7.991009 43.12794       1.609454  44.63480       2.359816  41.81741       2.200727  435.5210 11.51860 421.5593 11.09783 13.96173       15.99500 
1 1 1 -3  5  6  o 646.7230 13.14023 98.43829       3.997520  98.43829       3.997520  0.000000       0.000000  646.7230 13.14023 ?        ?        0.000000       13.14023 
1 1 1 -3  5  7  o 780.9083 12.22350 143.5172       4.490194  140.9391       5.311933  149.9703       8.404087  773.7624 14.59405 797.6992 22.39660 -23.93683      26.73189 
1 1 1 -3  5  8  o 816.4515 12.62756 156.8972       4.849748  148.9893       8.380430  160.8790       5.946662  794.9906 22.40965 826.6067 15.29343 -31.61609      27.13082 
1 1 1 -3  5  9  o 401.5986 13.42991 37.97095       2.537083  43.51962       4.873365  35.90800       2.971521  428.7846 24.26079 390.4501 16.17871 38.33450       29.16053 
1 1 1 -3  5  10 o 155.8679 22.93571 5.857625       1.631381  6.469324       2.360359  5.298161       2.257331  162.4627 32.02404 146.6077 33.46838 15.85498       46.32139 
1 1 1 -3  5  11 o 626.3351 11.81445 92.38827       3.480885  88.39477       4.829722  96.70485       5.021295  612.2457 16.76977 640.3883 16.66875 -28.14258      23.64471 
1 1 1 -3  5  12 o 963.7642 12.85384 218.7996       5.827374  223.0626       8.375497  214.7995       8.113070  972.3416 18.31144 954.2000 18.07492 18.14160       25.72958 
1 1 1 -3  5  13 f 929.4313 15.48871 203.5363       6.771766  196.6531       7.930922  222.0571       13.00938  913.2407 18.46159 968.7477 28.54805 -55.50702      33.99738 
1 1 1 -3  5  14 o 1254.777 14.95241 370.7593       8.825657  377.9011       12.72483  364.1391       12.25136  1266.016 21.36700 1242.807 20.95613 23.20813       29.92838 
1 1 1 -3  5  15 o 971.7432 13.87716 222.2915       6.343388  220.7975       8.977409  223.7811       8.964416  968.0406 19.71461 974.5732 19.55412 -6.532532      27.76741 
1 1 1 -3  5  16 o 1576.553 24.66471 586.1573       18.29169  0.000000       0.000000  586.1573       18.29169  ?        ?        1576.553 24.66471 0.000000       24.66471 
1 1 1 -3  5  17 o 881.8303 14.15807 183.0695       5.872980  174.6543       8.107999  192.3584       8.518494  860.9216 20.02077 903.5009 20.04310 -42.57928      28.32944 
1 1 1 -3  5  18 o 476.6917 16.04472 53.51812       3.597816  55.09844       5.193430  52.05984       4.988892  483.3439 22.84172 469.8421 22.57267 13.50180       32.11338 
1 1 1 -3  5  19 o 748.0941 21.34403 131.9887       7.511073  131.9887       7.511073  0.000000       0.000000  748.0941 21.34403 ?        ?        0.000000       21.34403 
1 1 1 -3  5  20 o 661.6421 15.78192 103.1431       4.911930  103.3054       7.040609  102.9892       6.856100  661.5569 22.62422 660.6012 22.06320 0.9556885      31.60127 
1 1 1 -3  5  21 o 242.0907 27.66326 14.04958       3.093729  11.55679       4.429551  16.42367       4.322789  215.9682 45.05887 260.4070 36.27428 -44.43880      57.84570 
1 1 1 -3  5  22 o 614.1296 22.97937 89.18896       6.638462  0.000000       0.000000  89.18896       6.638462  ?        ?        614.1296 22.97937 0.000000       22.97937 
1 1 1 -3  5  23 o 744.9504 16.30097 130.9805       5.712288  133.4115       8.268234  128.7607       7.901060  750.4440 23.42206 737.3903 22.77816 13.05365       32.67166 
1 1 1 -3  5  24 o 128.0478 43.29132 3.741306       3.099171  2.900451       4.396822  4.571586       4.369088  130.6618 50.44962 144.6374 51.27102 -13.97559      71.92970 
1 1 1 -3  5  25 o 341.5514 26.80693 28.02256       4.272382  28.44415       5.377313  27.30083       7.035761  342.0374 33.86628 330.3429 46.56905 11.69449       57.58126 
1 1 1 -3  5  26 f 289.9334 26.82348 20.31188       3.616871  17.75125       5.031945  23.04890       5.202368  265.9214 41.58907 305.5579 36.94445 -39.63644      55.62861 
1 1 1 -3  5  27 o 403.8669 21.48453 39.05115       4.066947  36.56201       5.562892  41.90908       5.960764  387.1606 30.79964 414.6643 30.77836 -27.50369      43.54222 
1 1 1 -3  5  28 o 195.4433 53.00548 10.34153       4.996272  0.000000       0.000000  10.34153       4.996272  ?        ?        195.4433 53.00548 0.000000       53.00548 
1 1 1 -3  5  29 o 100.0220 41.49156 1.041551       3.204183  -2.935799      4.348118  5.768137       4.739999  91.22163 42.33131 151.1021 53.42009 -59.88050      68.15897 
1 1 1 -3  5  30 o 276.2867 29.23715 18.95263       3.742100  21.91820       5.223831  15.82673       5.363176  291.6554 39.05669 241.2602 48.93086 50.39520       62.60714 
1 1 1 -3  5  31 o 146.4735 48.90858 5.743455       3.955127  5.305472       4.536453  7.131392       8.075557  143.8205 52.09368 167.2123 67.17500 -23.39182      85.00725 
1 1 1 -3  5  32 o 79.45518 36.43015 -1.558584      3.085078  -5.273683      4.206250  2.766788       4.538598  78.90302 38.02894 122.3910 49.92580 -43.48798      62.75975 
1 1 1 -3  5  33 o 325.4181 29.22027 26.82665       4.425290  28.93579       7.913671  25.86706       5.337876  310.9143 56.17628 313.0188 36.96510 -2.104492      67.24725 
1 1 1 -3  5  34 o 277.2597 32.50483 20.15101       4.158950  24.90488       7.223136  17.79338       5.086757  282.2672 56.37290 249.2777 45.03739 32.98958       72.15449 
1 1 1 -3  5  35 o 201.7442 37.28998 11.36944       3.408500  12.79727       5.492032  10.47493       4.346986  193.3138 56.70470 182.0891 49.46567 11.22475       75.24809 
1 1 1 -3  5  36 o 115.8074 51.59678 2.727408       5.684621  2.727408       5.684621  0.000000       0.000000  115.8074 51.59678 ?        ?        0.000000       51.59678 
1 1 1 -3  7  1  o 2454.323 32.25903 1422.090       37.24367  1519.620       56.83518  1348.692       49.30487  2531.478 47.72806 2386.348 43.92247 145.1301       64.86255 
1 1 1 -3  7  2  o 507.4189 15.70747 60.61237       3.749229  60.61237       3.749229  0.000000       0.000000  507.4189 15.70747 ?        ?        0.000000       15.70747 
1 1 1 -3  7  3  o 1032.990 11.02344 251.0881       5.356514  253.4313       6.144382  243.6683       10.93372  1037.728 12.58709 1016.860 22.85796 20.86774       26.09447 
1 1 1 -3  7  4  f 1048.543 15.61754 258.8301       7.703151  258.8301       7.703151  0.000000       0.000000  1048.543 15.61754 ?        ?        0.000000       15.61754 
1 1 1 -3  7  5  o 716.6854 9.089265 120.8482       3.064267  119.7771       4.312202  121.9408       4.355173  713.3841 12.85010 719.7985 12.86250 -6.414368      18.18155 
1 1 1 -3  7  6  o 1028.548 13.51746 249.0204       6.540172  252.1005       7.909216  242.3603       11.63026  1034.706 16.24976 1013.790 24.38775 20.91602       29.30558 
1 1 1 -3  7  7  o 657.4868 9.678068 101.7220       2.993264  104.2606       4.378823  99.49529       4.101047  665.4722 13.98808 650.1120 13.41026 15.36017       19.37786 
1 1 1 -3  7  8  o 72.65316 26.91706 0.9612303      1.221767  1.631891       1.872450  0.4639975      1.612273  91.93249 33.44226 73.03948 29.77117 18.89301       44.77396 
1 1 1 -3  7  9  o 846.3203 12.82758 168.6852       5.106798  160.7610       8.319581  173.4760       6.468893  825.2370 21.43154 857.9394 16.02891 -32.70239      26.76261 
1 1 1 -3  7  10 o 526.7173 13.20905 65.35689       3.272794  63.43639       5.946163  66.19155       3.919991  517.9194 24.40648 529.8926 15.72635 -11.97321      29.03436 
1 1 1 -3  7  11 o 289.4435 15.29731 19.79901       2.075407  17.44891       2.958154  22.07715       2.912514  270.7328 23.45984 305.1531 20.40760 -34.42038      31.09396 
1 1 1 -3  7  12 o 425.7758 14.55483 42.70057       2.915128  42.29655       3.795366  43.28181       4.552331  423.5371 19.04990 427.6206 22.71256 -4.083435      29.64387 
1 1 1 -3  7  13 f 800.6381 12.66457 150.8927       4.769753  151.4957       6.803982  150.3100       6.688402  801.8981 18.03743 798.7712 17.80043 3.126831       25.34175 
1 1 1 -3  7  14 o 689.9298 12.92008 112.0386       4.193141  111.8676       5.996997  112.2021       5.865192  689.1380 18.49943 690.1918 18.06522 -1.053772      25.85693 
1 1 1 -3  7  15 o 244.9048 21.25607 14.23988       2.424492  11.19526       3.469160  17.14666       3.389720  214.7928 35.58031 268.2143 27.24479 -53.42143      44.81336 
1 1 1 -3  7  16 o 391.0266 16.42706 36.00559       3.021590  36.78404       4.400321  35.31103       4.156446  394.2556 23.83880 386.3378 22.97459 7.917755       33.10770 
1 1 1 -3  7  17 o 704.5661 14.21651 116.8732       4.711771  123.7415       6.876089  110.7933       6.469393  724.6083 20.17292 685.6575 20.05797 38.95087       28.44765 
1 1 1 -3  7  18 o 648.1774 16.65400 98.96867       5.077871  97.89968       6.407960  100.7729       8.324917  644.3634 21.14071 653.2298 27.09222 -8.866394      34.36449 
1 1 1 -3  7  19 o 230.9159 27.40545 12.77652       2.918761  19.65902       4.328762  7.038856       3.952371  286.3011 32.73006 169.4299 47.61433 116.8712       57.77873 
1 1 1 -3  7  20 o 419.1024 22.29252 41.58361       4.379092  42.43852       5.202826  39.50654       8.109679  422.8694 26.28565 404.7831 43.26035 18.08633       50.62009 
1 1 1 -3  7  21 o 253.0805 27.51344 15.34412       3.222696  10.94348       4.632446  19.47136       4.486230  209.4578 48.03869 284.2189 34.24464 -74.76117      58.99501 
1 1 1 -3  7  22 o 79.90467 36.19389 -1.619799      2.928878  -3.602606      4.248625  0.1758413      4.043131  90.05200 41.80825 107.6441 45.74646 -17.59211      61.97312 
1 1 1 -3  7  23 o 234.5738 35.97995 13.47379       3.843458  14.42331       7.258612  13.10385       4.530735  236.5385 63.77932 229.3273 43.59291 7.211227       77.25376 
1 1 1 -3  7  24 o 399.1989 23.76261 38.00634       4.442058  32.56658       5.561412  47.59216       7.382612  367.1398 32.53925 443.2518 35.70996 -76.11200      48.31153 
1 1 1 -3  7  25 o 298.5930 25.77502 21.44442       3.584845  18.41141       5.003227  24.64425       5.138972  272.0889 40.30989 317.4489 34.99537 -45.35999      53.38131 
1 1 1 -3  7  26 o 121.1641 46.59727 2.676319       3.739599  4.598872       4.396553  -2.353746      7.111481  142.8859 51.34821 125.6461 56.70194 17.23978       76.49673 
1 1 1 -3  7  27 o 249.1192 30.38185 15.26768       3.486579  16.48871       5.092966  14.19069       4.783139  253.1792 44.38148 234.1799 45.05616 18.99937       63.24376 
1 1 1 -3  7  28 o 447.5757 20.36565 47.93741       4.287795  40.13924       5.909092  56.60963       6.231458  403.7879 31.35578 482.2365 27.58462 -78.44867      41.76238 
1 1 1 -3  7  29 o 413.8841 21.43179 41.28967       4.158298  47.91170       6.070450  35.43533       5.707737  441.3173 29.41000 377.4426 32.46313 63.87469       43.80414 
1 1 1 -3  7  30 o 386.1920 26.01364 36.51296       4.698258  42.62319       5.934109  26.24852       7.691206  414.2827 30.66803 306.8694 55.31575 107.4133       63.24841 
1 1 1 -3  7  31 o 205.4038 39.17574 11.13146       3.647114  13.72355       5.011541  8.213046       5.317655  222.1942 49.24224 169.6904 56.71044 52.50375       75.10574 
1 1 1 -3  7  32 o 74.86755 35.45430 -3.187378      3.326125  -1.957806      4.496071  -4.673780      4.943384  94.98806 43.70915 89.37447 42.58175 5.613586       61.02209 
1 1 1 -3  7  33 f 98.01196 42.51688 0.5836038      3.630453  14.24197       6.668159  -5.170745      4.328172  207.7382 62.86181 79.72600 38.46236 128.0122       73.69505 
1 1 1 -3  7  34 o 238.4308 42.72245 16.11590       4.615682  0.000000       0.000000  16.11590       4.615682  ?        ?        238.4308 42.72245 0.000000       42.72245 
1 1 1 -3  7  35 o 266.4834 37.24690 19.78380       4.541451  12.77349       5.954781  29.53032       7.021373  187.1986 59.85081 308.3595 50.12730 -121.1609      78.06963 
1 1 1 -3  7  36 o 121.4221 46.90969 4.564617       3.803174  4.066588       5.045383  5.219976       5.787709  119.8371 51.01958 127.5479 54.48141 -7.710846      74.64063 
1 1 1 -3  9  1  o 256.5572 9.690877 15.48743       1.169544  15.65011       1.598150  15.29984       1.716114  257.5175 13.23770 254.5323 14.39186 2.985138       19.55409 
1 1 1 -3  9  2  o 944.2722 10.55127 209.8182       4.686742  219.4328       6.935901  201.7393       6.357867  965.4100 15.27291 925.7104 14.60048 39.69965       21.12902 
1 1 1 -3  9  3  f 659.7765 10.58426 102.4361       3.284935  103.1077       3.923617  100.8621       6.006857  661.8657 12.60223 654.2898 19.51677 7.575867       23.23188 
1 1 1 -3  9  4  o 1028.343 11.14429 248.8759       5.390876  250.5090       6.120202  243.2224       11.38692  1031.622 12.61177 1015.477 23.83784 16.14526       26.96849 
1 1 1 -3  9  5  o 716.4885 10.42795 120.8157       3.514614  114.8839       4.157487  135.6718       6.579437  698.5771 12.65165 758.7704 18.43355 -60.19324      22.35755 
1 1 1 -3  9  6  o 630.0201 9.081161 93.40887       2.691319  95.22000       3.926049  91.80331       3.696512  635.9074 13.12480 624.4234 12.58472 11.48401       18.18338 
1 1 1 -3  9  7  o 648.5284 14.44365 99.08796       4.406313  99.40548       5.490931  98.51368       7.384584  649.2698 17.97842 645.6616 24.31374 3.608154       30.23874 
1 1 1 -3  9  8  o 885.7229 12.49937 184.7684       5.207810  184.2414       6.733400  185.5529       8.215734  884.0501 16.19154 886.7047 19.69691 -2.654602      25.49773 
1 1 1 -3  9  9  o 140.7784 21.46429 4.785347       1.376449  2.465477       2.147407  6.403185       1.793288  105.9390 36.03482 162.8639 24.13831 -56.92488      43.37241 
1 1 1 -3  9  10 o 1384.357 14.96295 451.4634       9.743941  448.8842       13.71237  454.0942       13.84867  1379.313 21.13392 1387.277 21.22149 -7.963379      29.94986 
1 1 1 -3  9  11 o 636.6793 11.67509 95.41196       3.496636  94.33950       4.980663  96.45425       4.910073  632.8439 16.73098 639.9218 16.31142 -7.077881      23.36639 
1 1 1 -3  9  12 o 1029.931 13.18300 249.6856       6.386926  235.8220       8.678898  266.0634       9.433121  1000.558 18.43966 1062.741 18.86943 -62.18237      26.38326 
1 1 1 -3  9  13 o 439.8191 13.47851 45.53092       2.788594  42.82365       3.984903  48.12896       3.903685  426.3593 19.86885 452.0514 18.35768 -25.69208      27.05135 
1 1 1 -3  9  14 o 675.0208 15.38347 107.2719       4.884733  108.9136       5.853793  103.5077       8.864016  680.0324 18.29947 662.3113 28.45110 17.72107       33.82803 
1 1 1 -3  9  15 o 1019.753 14.07245 244.7916       6.750469  256.7926       10.04557  234.9105       9.115295  1043.959 20.45605 998.5787 19.40525 45.38043       28.19599 
1 1 1 -3  9  16 o 414.9131 15.69247 40.53780       3.062795  37.42464       4.387960  43.49559       4.277061  397.6801 23.56132 429.5785 21.16575 -31.89841      31.67214 
1 1 1 -3  9  17 o 539.5107 17.25354 68.56901       4.378725  61.20690       8.084883  71.62484       5.208798  507.4398 34.06797 551.2464 20.08734 -43.80658      39.54905 
1 1 1 -3  9  18 o 614.2358 14.88963 88.85786       4.302178  91.52860       6.301513  86.52621       5.887920  622.9423 21.50442 605.7452 20.66344 17.19708       29.82311 
1 1 1 -3  9  19 o 1382.706 16.95942 450.5955       11.03088  453.4837       15.73297  447.8029       15.47039  1385.679 24.13674 1377.032 23.88294 8.646973       33.95551 
1 1 1 -3  9  20 o 348.6579 20.04712 28.78344       3.274075  31.37869       4.846535  26.60479       4.440541  362.8866 28.62408 333.9745 28.53931 28.91205       40.42067 
1 1 1 -3  9  21 o 585.7108 18.33915 80.97297       5.052796  95.77884       9.400412  74.95732       5.991988  634.8375 31.47857 563.0161 22.62459 71.82135       38.76561 
1 1 1 -3  9  22 o 182.5650 36.92938 8.257478       3.062514  7.489682       4.657951  8.842104       4.064540  174.1908 52.50058 187.5974 46.33279 -13.40657      70.02170 
1 1 1 -3  9  23 o 131.0240 42.94642 4.026854       3.054633  3.823510       4.561585  4.192168       4.112967  139.5412 51.94855 139.4829 49.71324 0.5828857E-01  71.90311 
1 1 1 -3  9  24 o 119.4116 42.60777 3.046779       3.022079  2.192290       4.367502  3.831724       4.186005  124.2725 49.58331 136.0720 49.92551 -11.79950      70.36378 
1 1 1 -3  9  25 o 247.6537 29.08334 14.92702       3.323623  12.09377       4.823460  17.48834       4.586141  216.4216 48.57188 265.4857 37.78949 -49.06407      61.54082 
1 1 1 -3  9  26 o 419.8074 20.08860 41.97772       3.967063  37.22620       5.566731  46.88087       5.654856  391.0726 30.50149 440.4816 27.42738 -49.40897      41.01954 
1 1 1 -3  9  27 f 268.6624 27.70360 17.63610       3.450928  15.64307       4.931785  19.54809       4.830490  245.9547 44.25374 278.7425 37.81622 -32.78786      58.21048 
1 1 1 -3  9  28 o 166.5115 41.49403 7.269741       3.238384  4.379515       4.552996  10.22896       4.607016  139.1261 51.87878 194.5092 50.05825 -55.38304      72.09186 
1 1 1 -3  9  29 o 140.4720 50.93473 4.778870       4.338512  9.851368       6.847873  1.377527       5.607509  186.6019 64.32549 125.4330 53.60353 61.16884       83.73235 
1 1 1 -3  9  30 o 484.1564 20.21913 56.38902       4.604871  54.67115       6.382897  58.25359       6.649844  470.4697 28.98250 485.4691 29.25594 -14.99945      41.18125 
1 1 1 -3  9  31 o 244.0918 30.75683 15.04983       3.453133  17.18691       4.777992  12.71305       4.996250  254.5119 41.32631 212.1089 50.75344 42.40295       65.45055 
1 1 1 -3  9  32 o 149.4870 54.44154 6.217215       4.964319  2.220274       6.441627  12.06302       7.790296  130.4799 56.61775 190.8269 68.37501 -60.34697      88.77337 
1 1 1 -3  9  33 o 180.0073 43.48633 9.197421       3.640992  0.6756838E-01  5.842330  14.99512       4.655670  113.8954 51.39692 230.4636 44.55667 -116.5682      68.02162 
1 1 1 -3  9  34 o 272.0427 36.91589 20.18066       4.602089  28.96255       6.642672  12.07491       6.381835  315.0966 46.18674 183.8025 62.12287 131.2942       77.41102 
1 1 1 -3  9  35 o 285.1603 53.02856 26.37039       6.851441  0.000000       0.000000  26.37039       6.851441  ?        ?        285.1603 53.02856 0.000000       53.02856 
1 1 1 -3  11 1  o 978.9529 12.67354 225.6705       5.836187  232.6992       10.52145  222.5468       7.014191  992.8187 22.52871 971.8875 15.34237 20.93127       27.25676 
1 1 1 -3  11 2  o 908.7363 14.84324 194.5531       6.345063  194.5531       6.345063  0.000000       0.000000  908.7363 14.84324 ?        ?        0.000000       14.84324 
1 1 1 -3  11 3  o 433.5263 8.675844 44.23103       1.769280  43.28978       2.488923  45.19255       2.515569  428.7590 12.34039 438.0862 12.20695 -9.327209      17.35785 
1 1 1 -3  11 4  o 396.6681 12.52371 37.05497       2.336844  37.05497       2.336844  0.000000       0.000000  396.6681 12.52371 ?        ?        0.000000       12.52371 
1 1 1 -3  11 5  o 1068.547 11.65335 268.8484       5.857516  268.2372       6.551259  271.2842       13.07900  1067.182 13.05020 1071.030 25.95994 -3.848633      29.05557 
1 1 1 -3  11 6  o 705.1932 9.822412 117.0517       3.258333  111.1054       4.253361  125.4981       5.069221  686.8445 13.16450 729.8520 14.76513 -43.00745      19.78164 
1 1 1 -3  11 7  o 531.5437 9.102369 66.49144       2.275950  66.86440       3.356128  66.17387       3.096843  532.8550 13.38937 530.1423 12.41817 2.712708       18.26160 
1 1 1 -3  11 8  o 648.6043 9.871777 99.00236       3.011927  101.4066       4.488915  97.03364       4.062023  656.2148 14.54206 641.9669 13.45118 14.24799       19.80924 
1 1 1 -3  11 9  o 1383.476 14.65139 450.6340       9.534984  454.6410       13.74271  446.9146       13.24033  1388.865 21.03501 1377.094 20.43929 11.77161       29.32979 
1 1 1 -3  11 10 o 1159.355 13.33566 316.3667       7.272775  323.8139       10.67639  309.9189       9.934187  1172.446 19.35809 1147.099 18.41035 25.34631       26.71473 
1 1 1 -3  11 11 o 689.5789 13.46088 111.9195       4.366432  112.1582       8.541153  111.8351       5.080505  689.6443 26.32825 689.2346 15.67006 0.4097290      30.63866 
1 1 1 -3  11 12 f 651.6148 12.06761 99.92133       3.698977  96.57877       5.323768  103.0410       5.143190  640.4233 17.67188 661.5507 16.52724 -21.12738      24.19596 
1 1 1 -3  11 13 o 998.6586 13.42638 234.7350       6.307326  242.3590       9.251014  228.1125       8.621982  1014.361 19.38775 984.1519 18.62411 30.20929       26.88387 
1 1 1 -3  11 14 o 1012.016 15.41827 241.1299       7.339938  240.0416       12.45019  241.7096       9.087049  1008.768 26.23706 1012.962 19.07043 -4.193542      32.43554 
1 1 1 -3  11 15 f 1252.455 21.72424 369.7618       12.79900  369.7618       12.79900  0.000000       0.000000  1252.455 21.72424 ?        ?        0.000000       21.72424 
1 1 1 -3  11 16 o 881.5709 13.99080 182.9783       5.801885  181.8042       8.265718  184.1187       8.145804  878.2670 20.00712 883.8779 19.59171 -5.610901      28.00215 
1 1 1 -3  11 17 f 662.6177 16.09646 103.4277       5.017214  96.54624       6.388123  114.5065       8.105457  639.8297 21.22460 696.4707 24.74032 -56.64099      32.59704 
1 1 1 -3  11 18 o 623.1673 17.46512 91.53088       5.119713  101.4269       10.13825  88.14339       5.931599  653.3843 33.09359 611.2720 20.62852 42.11230       38.99643 
1 1 1 -3  11 19 o 503.3818 16.03485 59.72517       3.796923  54.02648       5.364565  65.44556       5.374769  478.1496 23.85072 526.4725 21.70275 -48.32291      32.24695 
1 1 1 -3  11 20 o 163.7289 40.93562 6.660543       3.144391  11.18609       5.514928  4.480759       3.827464  210.9892 55.00271 141.4422 48.10839 69.54698       73.07336 
1 1 1 -3  11 21 o 588.9080 19.95220 81.98487       5.527229  79.36683       6.499769  88.82284       10.50444  578.7982 23.87270 608.2134 36.88970 -29.41522      43.94036 
1 1 1 -3  11 22 o 398.6848 19.46626 37.61053       3.650745  34.79414       5.329988  40.09956       5.010662  380.7736 30.00006 409.8806 26.12383 -29.10696      39.78012 
1 1 1 -3  11 23 o 910.4373 18.09716 196.2071       7.750502  188.2046       9.695415  210.3746       12.90028  889.8709 23.16168 937.9360 29.23861 -48.06506      37.30093 
1 1 1 -3  11 24 o 469.1164 21.50340 52.33294       4.745226  51.33770       8.873720  52.73151       5.615585  456.0816 41.82727 469.1868 25.53986 -13.10519      49.00821 
1 1 1 -3  11 25 o 296.4505 23.96539 21.14379       3.313413  19.09382       4.728020  23.12227       4.644835  277.2585 37.18875 307.2700 32.63472 -30.01141      49.47755 
1 1 1 -3  11 26 o 106.2705 42.96199 1.495766       3.325749  -3.088585      6.065185  3.466767       3.976935  111.4439 51.09068 129.1887 48.42424 -17.74474      70.39293 
1 1 1 -3  11 27 o 212.5353 41.33329 11.67283       3.983593  11.12458       4.659153  13.16290       7.681113  204.0925 49.12266 214.5641 67.90905 -10.47162      83.81333 
1 1 1 -3  11 28 o 129.7362 43.91078 4.150541       3.188532  1.798874       4.554582  6.410888       4.465274  119.5651 49.52257 156.5533 51.95398 -36.98816      71.77535 
1 1 1 -3  11 29 o 150.9034 44.13422 6.046290       3.331305  -0.4598578E-01 4.630673  12.58143       4.796029  108.3171 47.48216 215.2834 48.52037 -106.9663      67.88801 
1 1 1 -3  11 30 o 174.6462 46.69075 8.366094       3.909807  17.47919       7.254298  4.635113       4.641665  241.5544 63.13735 139.0644 52.27786 102.4900       81.97133 
1 1 1 -3  11 31 o 248.3431 35.15038 15.94221       3.991619  16.14447       7.322488  15.85670       4.761226  226.1941 65.22697 242.2573 43.37310 -16.06325      78.33124 
1 1 1 -3  11 32 f 87.49012 39.28027 -0.6900842     3.362708  -8.115339      5.968922  2.762323       4.070064  89.27827 43.55649 117.7065 47.54740 -28.42820      64.48196 
1 1 1 -3  11 33 o 124.6267 49.60284 3.771423       4.361109  11.48633       5.950533  -5.181332      6.410161  185.7027 59.87768 99.18408 47.58695 86.51863       76.48434 
1 1 1 -3  11 34 o 152.9383 48.61497 7.304255       3.933208  10.52319       5.497951  3.929846       5.629163  174.2881 57.64035 127.1847 54.01295 47.10345       78.99246 
1 1 1 -3  11 35 o 117.5881 46.91072 3.893810       3.908937  3.038050       5.240273  4.967301       5.869175  116.5464 50.81465 128.5930 54.89401 -12.04662      74.80295 
1 1 1 -3  13 1  o 499.2557 10.29202 58.66128       2.417090  62.21760       4.092959  56.75686       2.995146  513.8982 16.93133 490.9965 12.96792 22.90170       21.32690 
1 1 1 -3  13 2  o 885.1035 10.56176 184.3739       4.397439  185.9378       6.269436  182.8594       6.169600  888.5663 14.99924 881.1887 14.88397 7.377686       21.13078 
1 1 1 -3  13 3  f 192.0204 13.57523 8.724062       1.218305  9.030089       1.820533  8.475861       1.639534  194.6948 20.17071 188.7366 18.71362 5.958176       27.51467 
1 1 1 -3  13 4  o 741.8331 9.940496 129.4968       3.468834  131.8882       3.877687  119.9168       7.761259  748.6108 11.01152 713.1140 23.13683 35.49683       25.62356 
1 1 1 -3  13 5  o 467.3602 10.14122 51.39698       2.229518  49.54552       2.430240  61.23663       5.602495  458.8412 11.25946 509.6465 23.36916 -50.80536      25.94018 
1 1 1 -3  13 6  o 295.3394 9.461377 20.52281       1.314453  20.39066       1.376355  21.89358       4.432855  294.3816 9.939176 302.8737 31.57813 -8.492065      33.10537 
1 1 1 -3  13 7  o 119.2165 26.12525 3.482243       1.424633  2.704221       1.773732  4.896477       2.391403  106.8144 32.44328 141.2491 35.91183 -34.43470      48.39655 
1 1 1 -3  13 8  o 599.7560 12.56848 84.65057       3.545902  83.65150       4.025572  88.10940       7.490190  596.1559 14.35484 611.3273 26.04652 -15.17133      29.74026 
1 1 1 -3  13 9  o 459.9193 9.827783 49.76768       2.126212  47.41574       3.333092  51.38143       2.760916  448.8022 15.78785 467.2672 12.56084 -18.46497      20.17500 
1 1 1 -3  13 10 o 1912.067 21.55551 861.2900       19.38790  864.4084       24.29901  855.8265       32.16280  1914.647 26.97929 1903.256 35.92422 11.39160       44.92696 
1 1 1 -3  13 11 o 737.8627 17.13319 128.1912       5.946796  128.1912       5.946796  0.000000       0.000000  737.8627 17.13319 ?        ?        0.000000       17.13319 
1 1 1 -3  13 12 f 910.9195 14.60582 195.3287       6.258572  190.5470       11.88070  197.1653       7.363038  898.6761 28.10408 915.0485 17.10581 -16.37231      32.90058 
1 1 1 -3  13 13 o 1518.165 16.52903 542.7371       11.80418  544.9610       17.02327  540.6776       16.38242  1520.310 23.80353 1514.447 22.99613 5.863525       33.09728 
1 1 1 -3  13 14 o 596.2926 13.10069 83.69769       3.674707  81.39580       5.291408  85.84203       5.107131  587.7632 19.13813 603.6646 17.98506 -15.90131      26.26272 
1 1 1 -3  13 15 o 1011.284 14.08713 240.7940       6.701394  236.1615       9.427235  245.5260       9.527971  1000.969 20.02139 1020.641 19.84532 -19.67181      28.19030 
1 1 1 -3  13 16 o 721.5201 14.91690 122.6093       5.062863  124.8470       6.723640  119.6790       7.694005  727.7141 19.64149 712.1871 22.96619 15.52698       30.21976 
1 1 1 -3  13 17 o 783.6104 14.07471 144.6257       5.188105  138.5656       7.238267  151.0285       7.440071  766.4644 20.07582 800.2261 19.76492 -33.76172      28.17252 
1 1 1 -3  13 18 f 873.6464 14.58464 179.8407       5.993777  166.5609       8.182473  195.2167       8.804645  840.0095 20.70766 909.4225 20.58149 -69.41296      29.19598 
1 1 1 -3  13 19 o 266.4084 22.97808 16.90645       2.851423  13.13529       4.063530  20.56466       4.002210  231.5673 38.66768 292.9515 29.44108 -61.38423      48.60006 
1 1 1 -3  13 20 o 416.1879 17.74616 40.90322       3.474267  39.05849       5.062061  42.54605       4.777029  404.8112 26.73362 423.0788 24.10287 -18.26764      35.99493 
1 1 1 -3  13 21 o 303.6963 25.55909 22.06480       3.617408  16.62604       6.160341  24.92714       4.469050  256.0586 52.89468 321.9913 29.84470 -65.93271      60.73346 
1 1 1 -3  13 22 o 523.7322 25.68095 65.32243       6.326881  65.32243       6.326881  0.000000       0.000000  523.7322 25.68095 ?        ?        0.000000       25.68095 
1 1 1 -3  13 23 o 315.3660 22.40382 23.77558       3.301956  27.25728       4.877739  20.83048       4.486144  335.3313 31.28376 292.1914 33.23004 43.13983       45.63890 
1 1 1 -3  13 24 o 414.7614 24.17437 41.24319       4.696086  38.81973       5.561318  47.26516       8.766549  400.4013 29.73893 435.3426 43.38627 -34.94125      52.60012 
1 1 1 -3  13 25 o 180.6436 41.06007 8.386116       3.409986  17.82997       6.439496  4.705942       4.019866  259.1346 54.55255 141.1527 49.24883 117.9819       73.49441 
1 1 1 -3  13 26 o 359.4271 21.70369 31.02990       3.652344  41.44109       5.532515  22.98772       4.862498  412.5081 28.69008 304.1625 34.60056 108.3457       44.94797 
1 1 1 -3  13 27 o 197.6648 35.33805 9.918313       3.165198  10.87630       4.709288  9.128970       4.274730  201.0317 50.00546 184.6504 48.56476 16.38130       69.70712 
1 1 1 -3  13 28 o 292.5373 37.20329 21.70440       5.003736  21.70440       5.003736  0.000000       0.000000  292.5373 37.20329 ?        ?        0.000000       37.20329 
1 1 1 -3  13 29 o 250.9211 29.04284 15.64975       3.364673  16.42384       4.797910  14.90067       4.719785  250.0795 42.29341 236.9991 43.95410 13.08040       60.99750 
1 1 1 -3  13 30 o 357.6663 23.23985 31.20958       3.888831  20.63746       5.130419  45.48709       5.962081  280.7061 39.98369 427.2804 29.85060 -146.5742      49.89743 
1 1 1 -3  13 31 o 93.48465 40.28594 0.4316062      3.216462  -6.313912      5.414110  4.110984       3.998588  89.22370 43.03783 129.3216 48.53984 -40.09791      64.87196 
1 1 1 -3  13 32 o 127.0424 44.78289 4.322309       3.328795  1.052022       5.537911  6.172340       4.165265  116.7672 51.53005 146.2684 50.18244 -29.50117      71.92790 
1 1 1 -3  13 33 o 110.0624 44.36744 2.606597       3.535910  -1.019025      4.571546  8.005351       5.578515  96.78634 44.36544 156.7612 57.61659 -59.97491      72.71838 
1 1 1 -3  13 34 o 282.8998 32.84578 21.55653       4.289661  22.16409       5.947409  20.89775       6.193039  267.7891 49.01991 253.8387 53.54969 13.95032       72.59835 
1 1 1 -3  15 1  f 1218.183 14.83416 349.2733       8.500503  373.0678       15.47071  338.9829       10.17389  1258.076 26.14172 1199.905 18.02481 58.17102       31.75348 
1 1 1 -3  15 2  o 1600.169 15.87275 602.7194       11.94779  636.9847       17.92259  575.3121       16.02898  1644.291 23.17143 1562.816 21.80363 81.47485       31.81688 
1 1 1 -3  15 3  o 1546.898 17.66129 563.3627       12.85149  555.6623       15.64009  579.3699       22.54973  1535.912 21.64729 1567.188 30.58799 -31.27588      37.47306 
1 1 1 -3  15 4  o 1025.754 13.55518 247.6139       6.540604  263.8295       8.135839  217.9846       10.99759  1058.671 16.33700 961.8168 24.30724 96.85376       29.28719 
1 1 1 -3  15 5  f 1544.852 15.46872 561.7450       11.24114  569.1312       12.93421  538.9418       22.72616  1554.796 17.68469 1511.316 31.96697 43.47986       36.53266 
1 1 1 -3  15 6  o 973.0769 12.66226 222.8203       5.795989  215.8347       6.463078  251.5161       13.09925  957.6328 14.34733 1032.910 26.95967 -75.27698      30.53964 
1 1 1 -3  15 7  o 299.8633 10.70656 21.15674       1.510228  20.01115       1.574364  34.36386       5.345594  291.6237 11.47659 380.4919 30.11231 -88.86813      32.22520 
1 1 1 -3  15 8  o 367.6895 12.67414 31.81565       2.192144  29.49662       2.600881  37.50404       4.073456  353.9851 15.61947 398.3990 21.81873 -44.41394      26.83327 
1 1 1 -3  15 9  o 2244.421 30.63432 1188.844       32.34311  1188.844       32.34311  0.000000       0.000000  2244.421 30.63432 ?        ?        0.000000       30.63432 
1 1 1 -3  15 10 o 1131.016 18.89231 301.2849       10.05132  301.2849       10.05132  0.000000       0.000000  1131.016 18.89231 ?        ?        0.000000       18.89231 
1 1 1 -3  15 11 o 837.0919 11.64424 164.9043       4.585150  157.1551       6.574124  172.2443       6.398217  816.9187 17.10763 855.3091 15.90254 -38.39044      23.35726 
1 1 1 -3  15 12 f 801.5617 11.81314 151.2133       4.454218  150.3525       6.629980  151.9214       6.013480  798.9643 17.64069 803.2277 15.91541 -4.263428      23.75909 
1 1 1 -3  15 13 o 684.8700 11.95122 110.3998       3.850258  109.6299       5.876994  110.9788       5.096258  682.1466 18.31505 686.4797 15.78172 -4.333069      24.17652 
1 1 1 -3  15 14 o 905.6075 13.01992 193.0795       5.546484  186.6122       7.879858  199.4302       7.808455  889.8461 18.82497 919.9743 18.04347 -30.12817      26.07578 
1 1 1 -3  15 15 f 206.0980 22.77740 10.14517       2.171338  9.746158       3.614925  10.37039       2.715852  199.0692 39.99165 207.5164 28.57994 -8.447220      49.15430 
1 1 1 -3  15 16 o 677.6507 17.00753 108.2428       5.421463  101.5080       6.047327  135.8205       12.23717  655.9965 19.59714 756.5403 34.38585 -100.5439      39.57820 
1 1 1 -3  15 17 o 931.7638 14.34486 204.5776       6.287406  189.4942       8.605871  221.8460       9.208119  895.9036 20.42040 969.4091 20.19271 -73.50555      28.71825 
1 1 1 -3  15 18 o 525.0765 19.47515 65.11567       4.810306  64.55227       5.481266  67.00357       10.03377  522.4634 22.30261 527.4727 40.75462 -5.009277      46.45799 
1 1 1 -3  15 19 o 593.8768 20.34989 83.40824       5.684964  0.000000       0.000000  83.40824       5.684964  ?        ?        593.8768 20.34989 0.000000       20.34989 
1 1 1 -3  15 20 o 119.9224 39.40062 3.338188       2.570492  3.078955       3.822872  3.552111       3.472749  127.1996 47.51656 128.8142 45.70505 -1.614586      65.93008 
1 1 1 -3  15 21 o 133.7979 39.74665 4.405818       2.684045  7.901350       4.183828  1.961025       3.498954  176.5111 48.76959 113.7608 44.69728 62.75033       66.15376 
1 1 1 -3  15 22 o 296.5665 22.33318 21.03376       3.092733  17.16913       4.391135  24.83790       4.356638  264.0328 36.31623 320.6400 29.20469 -56.60712      46.60239 
1 1 1 -3  15 23 o 235.5098 27.86745 13.48926       3.027417  7.145049       4.347930  19.45958       4.217862  167.3197 50.78937 282.0170 32.38143 -114.6973      60.23386 
1 1 1 -3  15 24 o 272.4402 24.38947 17.91527       3.092594  15.76754       4.418300  19.97822       4.330209  250.6004 38.72916 284.9696 32.90794 -34.36928      50.82204 
1 1 1 -3  15 25 o 301.7585 23.05117 21.94103       3.247312  17.60783       4.539548  26.48204       4.647126  264.8619 37.48200 328.9334 30.37672 -64.07150      48.24568 
1 1 1 -3  15 26 o 266.1953 25.19247 17.22260       3.117052  17.60522       4.495892  16.86844       4.325403  264.3386 37.18446 258.9586 36.52217 5.379974       52.12056 
1 1 1 -3  15 27 o 115.0708 43.07132 2.760770       3.144118  4.460512       4.166303  0.5121879      4.791965  137.7690 49.91990 114.0541 49.16116 23.71491       70.06294 
1 1 1 -3  15 28 o 211.4962 33.17187 11.31402       3.191654  7.516856       4.552142  14.98552       4.476179  166.3595 52.23046 239.9540 41.13660 -73.59451      66.48489 
1 1 1 -3  15 29 o 344.5558 45.51260 31.56956       7.196126  31.56956       7.196126  0.000000       0.000000  344.5558 45.51260 ?        ?        0.000000       45.51260 
1 1 1 -3  15 30 o 131.0350 47.22289 4.339033       3.720975  7.907254       5.423974  1.166766       5.114186  165.7035 57.24123 117.2396 50.65997 48.46389       76.43945 
1 1 1 -3  15 31 o 114.6400 46.44405 2.513501       3.895601  0.000000       0.000000  2.513501       3.895601  ?        ?        114.6400 46.44405 0.000000       46.44405 
1 1 1 -3  15 32 o 141.7265 45.87189 5.802553       3.489856  2.876338       4.481292  10.31213       5.563114  118.9542 49.18399 177.9974 57.93836 -59.04315      75.99947 
1 1 1 -3  15 33 o 161.7045 47.11130 8.029856       3.802409  3.186682       5.000855  14.66706       5.854259  120.6509 51.05524 208.0143 57.76986 -87.36343      77.09731 
1 1 1 -3  17 1  o 687.4626 10.01790 111.1926       3.239629  117.5291       4.674831  105.3378       4.493595  706.6703 14.06306 669.0092 14.27883 37.66107       20.04132 
1 1 1 -3  17 2  o 1206.617 15.04528 342.6836       8.539624  358.2046       15.33038  335.7009       10.28268  1232.705 26.43775 1194.052 18.30687 38.65356       32.15736 
1 1 1 -3  17 3  o 1167.345 12.72305 320.6770       6.986506  319.3014       9.787321  322.1063       9.976212  1164.539 17.86654 1169.625 18.13217 -5.085449      25.45562 
1 1 1 -3  17 4  o 768.6155 10.75045 139.0036       3.886914  136.5540       4.292868  150.1487       9.156790  761.7774 11.97982 798.1937 24.38741 -36.41632      27.17097 
1 1 1 -3  17 5  o 918.8597 11.01681 198.6646       4.761835  198.5599       5.261921  199.1380       11.19131  918.5748 12.17756 919.0809 25.88558 -0.5061035     28.60692 
1 1 1 -3  17 6  o 1502.453 17.39943 531.5143       12.29717  523.9460       14.28182  553.2105       24.18119  1491.418 20.35705 1530.538 33.58646 -39.12036      39.27416 
1 1 1 -3  17 7  o 1239.758 13.46631 361.7520       7.853344  356.2368       8.667556  387.0393       18.55948  1230.171 14.97828 1280.498 30.81184 -50.32690      34.25958 
1 1 1 -3  17 8  o 1179.577 13.18170 327.4873       7.314202  321.0716       8.015912  359.3936       17.87592  1167.874 14.59109 1233.788 30.80054 -65.91467      34.08186 
1 1 1 -3  17 9  o 682.8340 11.40845 109.7266       3.664468  109.7266       3.664468  0.000000       0.000000  682.8340 11.40845 ?        ?        0.000000       11.40845 
1 1 1 -3  17 10 f 460.5272 14.60587 49.93197       3.164113  46.75400       3.471193  65.54697       7.694401  445.5681 16.56133 525.8016 31.24941 -80.23343      35.36670 
1 1 1 -3  17 11 o 748.7104 11.49940 131.9345       4.050033  119.8310       5.619646  145.0150       5.842048  713.2734 16.74879 784.7131 15.82650 -71.43970      23.04344 
1 1 1 -3  17 12 o 782.0297 17.71627 144.0960       6.517257  143.9061       8.114672  144.4411       10.93896  781.1329 22.08395 781.7132 29.74812 -0.5802612     37.04930 
1 1 1 -3  17 13 o 707.8353 29.38530 118.4899       9.784343  118.4899       9.784343  0.000000       0.000000  707.8353 29.38530 ?        ?        0.000000       29.38530 
1 1 1 -3  17 14 o 742.7117 12.21564 129.8837       4.267818  127.7520       6.438143  131.5547       5.700217  736.0621 18.59417 747.1627 16.21836 -11.10065      24.67343 
1 1 1 -3  17 15 f 661.2895 13.60229 103.0182       4.231292  94.73112       5.794495  112.4851       6.193293  633.6088 19.44129 690.4771 19.06791 -56.86829      27.23140 
1 1 1 -3  17 16 o 244.5760 19.54240 14.21312       2.229560  15.98980       3.771380  13.25858       2.764349  257.5208 31.80889 235.3158 25.37453 22.20497       40.68995 
1 1 1 -3  17 17 o 238.4910 30.45499 13.73893       3.338634  14.08231       3.732924  12.36623       7.463666  240.7666 33.89828 221.6158 66.38154 19.15074       74.53591 
1 1 1 -3  17 18 o 416.9931 16.99987 41.06574       3.334601  36.50417       5.865136  43.24452       4.053480  389.8038 32.27659 427.5571 20.15415 -37.75336      38.05218 
1 1 1 -3  17 19 o 529.9034 14.88316 66.28834       3.709890  60.15258       5.342394  72.00282       5.155736  503.5815 22.55261 551.4760 19.87443 -47.89447      30.06016 
1 1 1 -3  17 20 o 478.7071 19.16913 54.28736       4.316597  44.58978       8.717238  57.43771       4.968513  425.3047 44.21867 491.9533 21.47006 -66.64853      49.15541 
1 1 1 -3  17 21 o 678.6894 15.26825 108.9181       4.874495  96.08335       6.688773  123.4547       7.118424  635.5101 22.37457 720.8547 20.99263 -85.34460      30.68081 
1 1 1 -3  17 22 o 617.4225 15.28340 90.21958       4.438864  79.46300       6.133042  102.0529       6.432673  577.3375 22.58275 654.9120 20.88042 -77.57452      30.75667 
1 1 1 -3  17 23 o 104.3106 43.00317 1.078619       3.411978  4.397592       3.968280  -8.332343      6.682169  138.2935 48.87980 101.3043 48.59940 36.98918       68.92848 
1 1 1 -3  17 24 o 358.6152 22.14917 30.86137       3.718128  32.66945       6.296852  29.89352       4.607024  362.5243 37.46512 350.7912 28.15644 11.73309       46.86598 
1 1 1 -3  17 25 o 226.3052 27.51297 12.54921       2.868625  5.176410       4.051752  19.95923       4.061964  145.0554 49.49711 284.8434 30.80593 -139.7880      58.30068 
1 1 1 -3  17 26 o 319.3043 26.43931 24.82688       3.935494  12.17598       7.061025  30.52774       4.739990  207.3448 65.04259 353.2103 28.77842 -145.8655      71.12479 
1 1 1 -3  17 27 o 196.8228 33.45405 9.812271       2.986520  4.223570       4.299782  15.02162       4.151286  135.8794 50.46532 242.5096 37.60808 -106.6302      62.93740 
1 1 1 -3  17 28 o 253.5391 28.10088 15.93056       3.295094  8.700809       4.523837  24.10111       4.809174  177.1234 51.32425 309.3175 33.59189 -132.1942      61.33998 
1 1 1 -3  17 29 o 155.9513 50.13406 6.726104       4.173871  2.788050       5.054649  15.16647       7.399984  127.1568 52.37193 220.1505 66.13283 -92.99367      84.35857 
1 1 1 -3  17 30 o 266.3065 26.76508 17.71843       3.307499  15.96909       5.281832  18.84691       4.242231  237.4379 48.91733 269.9670 34.17025 -32.52904      59.67002 
1 1 1 -3  17 31 o 280.8643 44.78938 22.11356       5.718762  22.11356       5.718762  0.000000       0.000000  280.8643 44.78938 ?        ?        0.000000       44.78938 
1 1 1 -3  17 32 o 101.7835 46.69807 -0.8472058     5.080569  0.000000       0.000000  -0.8472058     5.080569  ?        ?        101.7835 46.69807 0.000000       46.69807 
1 1 1 -3  19 1  o 721.6351 10.36049 122.5330       3.516960  128.8997       5.040794  116.4942       4.909278  740.0007 14.48096 703.4766 14.83538 36.52405       20.73130 
1 1 1 -3  19 2  o 195.9012 22.53985 9.163125       2.039239  11.17123       3.405950  8.041023       2.546019  214.7069 34.92304 182.0783 30.82587 32.62863       46.58168 
1 1 1 -3  19 3  o 229.5826 13.92838 12.45213       1.497099  15.39194       2.220013  10.00008       2.027496  254.9612 18.63943 204.9074 21.34799 50.05385       28.34017 
1 1 1 -3  19 4  o 848.1629 15.40018 169.3628       6.144329  169.3628       6.144329  0.000000       0.000000  848.1629 15.40018 ?        ?        0.000000       15.40018 
1 1 1 -3  19 5  o 1264.155 15.36675 376.2487       9.138006  382.2729       10.84211  361.4745       16.97922  1273.989 18.09169 1237.475 29.16837 36.51404       34.32351 
1 1 1 -3  19 6  o 993.5865 19.03770 232.5693       8.897939  234.8692       12.53313  230.2319       12.63465  997.7085 26.70463 987.7522 27.19231 9.956299       38.11245 
1 1 1 -3  19 7  o 820.3632 10.75272 158.3759       4.149482  156.6438       4.499668  168.2224       10.72849  815.8229 11.72507 844.2565 27.01438 -28.43359      29.44917 
1 1 1 -3  19 8  o 293.8887 11.76572 20.32870       1.626563  20.32870       1.626563  0.000000       0.000000  293.8887 11.76572 ?        ?        0.000000       11.76572 
1 1 1 -3  19 9  o 1674.532 17.13572 660.5858       13.49786  660.5203       15.26408  660.8205       28.90708  1674.070 19.38330 1669.957 36.79845 4.112915       41.59133 
1 1 1 -3  19 10 o 201.6832 15.73201 9.639435       1.480727  9.922873       1.534609  5.814507       5.637425  204.6098 16.07354 165.4982 58.28505 39.11160       60.46078 
1 1 1 -3  19 11 o 902.9459 15.34406 192.0694       6.517354  184.6307       7.392855  218.0143       13.80665  885.0479 17.75727 959.7206 30.58258 -74.67279      35.36403 
1 1 1 -3  19 12 o 345.4950 14.34478 28.12003       2.331337  26.48275       3.295773  29.75977       3.298245  334.3223 21.06439 354.6166 19.85192 -20.29428      28.94490 
1 1 1 -3  19 13 o 170.6691 18.06862 6.947165       1.428545  5.791999       2.921888  7.310026       1.637614  153.0591 40.10086 174.8132 20.29190 -21.75407      44.94263 
1 1 1 -3  19 14 o 398.3269 12.26368 37.37526       2.297893  37.39194       3.876960  37.36623       2.853038  397.3063 20.81661 398.1132 15.23462 -0.8068542     25.79583 
1 1 1 -3  19 15 o 564.3004 11.82164 75.01958       3.138033  68.47749       4.926067  79.48745       4.070914  538.3792 19.45104 580.5796 14.90599 -42.20044      24.50574 
1 1 1 -3  19 16 o 594.7931 12.44311 83.38356       3.481483  79.57069       5.490894  85.94688       4.502142  580.0560 20.12351 603.4723 15.85961 -23.41632      25.62193 
1 1 1 -3  19 17 f 194.8344 20.73581 9.087710       1.871241  9.564875       3.599013  8.910931       2.190616  195.7802 40.41856 192.1778 24.81168 3.602432       47.42657 
1 1 1 -3  19 18 o 226.8553 20.72390 12.29665       2.187091  9.937340       3.684317  13.58043       2.717747  199.2259 40.68909 237.7624 24.65799 -38.53648      47.57750 
1 1 1 -3  19 19 o 559.7906 13.78711 73.99356       3.630515  63.45084       5.302029  83.30043       4.981587  516.8619 21.80712 593.1679 17.85339 -76.30603      28.18322 
1 1 1 -3  19 20 o 318.1268 19.41500 24.10277       2.891499  22.17443       4.283933  25.71641       3.918812  302.2909 30.54553 327.1608 25.66988 -24.86987      39.89952 
1 1 1 -3  19 21 o 375.4135 19.80957 33.58587       3.485893  32.60999       8.055244  33.81074       3.866707  358.3398 49.07712 376.1161 21.95030 -17.77634      53.76225 
1 1 1 -3  19 22 o 103.0227 37.42304 2.201425       2.343545  -0.7363515     3.536414  4.501799       3.129342  93.34638 41.18715 135.3642 43.39890 -42.01783      59.83182 
1 1 1 -3  19 23 o 404.0646 19.00616 38.84911       3.612556  35.49346       6.093719  40.66755       4.485832  379.8604 34.47832 411.6127 23.26306 -31.75229      41.59237 
1 1 1 -3  19 24 o 236.1718 34.46195 13.91821       3.715818  11.00132       4.239524  23.58502       7.717886  205.4813 45.09821 296.1045 57.48223 -90.62320      73.06200 
1 1 1 -3  19 25 o 274.4244 22.97821 18.20276       2.938951  17.54099       4.410542  18.73127       3.941505  264.1076 36.47451 275.4720 30.95277 -11.36438      47.83789 
1 1 1 -3  19 26 o 220.5306 28.21521 12.01937       2.859883  13.29419       4.230521  10.94648       3.881015  226.3954 41.24393 204.7566 41.71019 21.63881       58.65834 
1 1 1 -3  19 27 o 218.4967 34.87505 12.17370       3.463977  2.492568       6.403070  16.17937       4.118726  136.8570 57.83438 252.0474 35.73960 -115.1903      67.98628 
1 1 1 -3  19 28 o 230.2736 27.33534 13.19142       2.903167  11.83349       4.105776  14.54925       4.105619  209.9156 43.02510 236.2270 38.25513 -26.31139      57.57269 
1 1 1 -3  19 29 o 180.1169 35.60552 8.542626       2.909837  6.099882       4.330338  10.55369       3.929119  148.4370 51.15337 195.8571 43.75058 -47.42014      67.31107 
1 1 1 -3  19 30 o 211.8996 40.61792 12.28660       3.901362  9.922712       4.879147  16.47741       6.496491  180.7562 53.56482 228.0868 59.81222 -47.33063      80.29129 
1 1 1 -3  21 1  o 1652.499 16.68821 643.1906       12.97240  665.7706       18.87848  622.9908       17.85570  1680.003 23.88842 1625.237 23.35560 54.76672       33.40870 
1 1 1 -3  21 2  o 1388.385 16.83912 454.0451       10.99761  460.4638       19.19728  450.9095       13.41755  1396.095 29.23178 1383.073 20.62332 13.02185       35.77455 
1 1 1 -3  21 3  o 430.8513 14.10172 43.70746       2.858043  37.75268       4.478059  47.80024       3.712497  399.3169 23.95045 450.4425 17.52094 -51.12558      29.67503 
1 1 1 -3  21 4  o 718.8289 10.40580 121.6051       3.518602  122.8358       5.017331  120.4141       4.935780  722.2369 14.76807 715.0875 14.67328 7.149353       20.81829 
1 1 1 -3  21 5  o 1464.998 15.11238 505.4648       10.41452  503.6359       11.69265  512.4852       22.90854  1462.087 17.00084 1471.428 33.09703 -9.341187      37.20810 
1 1 1 -3  21 6  o 1126.560 15.26494 298.9346       8.089451  296.5489       9.375433  305.8859       16.00332  1121.769 17.76719 1137.252 29.91465 -15.48352      34.79309 
1 1 1 -3  21 7  o 909.5637 19.79960 195.0931       8.471472  205.4400       11.82549  184.1855       12.14171  932.3311 26.96371 882.4088 29.25100 49.92230       39.78269 
1 1 1 -3  21 8  o 384.3168 23.95396 35.01760       4.308935  27.55946       5.575746  46.07610       6.789468  338.9573 35.49588 439.6468 33.07165 -100.6895      48.51486 
1 1 1 -3  21 9  o 836.3183 13.54191 164.7469       5.327468  164.0292       6.014673  167.3603       11.47737  834.3237 15.32527 840.7230 29.02152 -6.399292      32.81940 
1 1 1 -3  21 10 o 402.4954 10.37470 38.13922       1.964291  37.41240       2.044073  46.90845       7.100110  398.6222 10.90098 443.0073 34.33931 -44.38513      36.02804 
1 1 1 -3  21 11 o 604.0663 10.77995 85.92149       3.063167  83.02626       3.219801  113.5256       9.942016  593.7534 11.52799 691.5968 30.55992 -97.84344      32.66195 
1 1 1 -3  21 12 o 825.2353 11.72833 160.4149       4.552848  157.0175       4.863579  184.4828       12.94507  816.3484 12.66517 880.9759 31.23713 -64.62744      33.70705 
1 1 1 -3  21 13 o 922.8378 13.39486 200.7414       5.814772  189.6283       7.591600  216.5155       9.044564  896.1419 18.00890 957.1089 20.08894 -60.96698      26.97936 
1 1 1 -3  21 14 o 715.3604 11.99836 120.5986       4.037534  118.7160       6.003378  122.1534       5.455703  708.8849 18.00324 719.3884 16.12197 -10.50348      24.16680 
1 1 1 -3  21 15 f 611.4792 11.65430 88.12682       3.352255  84.12292       5.281151  90.82871       4.338306  596.4285 18.82352 620.3770 14.86604 -23.94855      23.98591 
1 1 1 -3  21 16 o 198.8844 16.17360 9.406528       1.500025  7.626885       3.183443  9.914419       1.700653  174.3877 39.69804 203.9749 17.90548 -29.58725      43.54929 
1 1 1 -3  21 17 o 170.9868 19.42203 7.014279       1.534447  4.316363       3.194330  7.823574       1.749519  134.7555 43.90526 180.4187 21.00760 -45.66328      48.67228 
1 1 1 -3  21 18 o 232.1067 16.77223 12.81426       1.818922  16.08484       3.531670  11.63352       2.122006  257.4275 29.71013 220.4234 20.70814 37.00407       36.21490 
1 1 1 -3  21 19 o 331.5942 16.04024 26.02288       2.501998  24.12068       4.040685  27.20571       3.186317  316.2422 27.43408 337.8613 20.13996 -21.61908      34.03302 
1 1 1 -3  21 20 o 84.78324 32.27392 1.250091       1.782480  2.170383       3.440698  0.9124946      2.083929  114.1499 44.47356 85.27306 34.17112 28.87686       56.08532 
1 1 1 -3  21 21 o 137.2261 31.71421 4.730344       2.006140  7.900926       3.578578  3.277276       2.422614  175.2626 43.58820 117.1692 38.23861 58.09335       57.98381 
1 1 1 -3  21 22 o 318.5281 17.31109 24.15647       2.584090  29.63718       4.381638  21.23364       3.199783  350.1011 26.80938 297.1469 23.07272 52.95416       35.37079 
1 1 1 -3  21 23 f 427.9477 15.94769 43.45483       3.210389  43.33200       4.888688  43.54797       4.256940  424.1199 24.60965 426.9768 21.19454 -2.856873      32.47836 
1 1 1 -3  21 24 o 196.1839 29.15681 9.533250       2.608918  5.841030       3.953218  12.38208       3.472485  151.0665 48.81474 222.1586 34.33545 -71.09206      59.68083 
1 1 1 -3  21 25 o 115.9893 46.01594 2.291841       3.742008  2.291841       3.742008  0.000000       0.000000  115.9893 46.01594 ?        ?        0.000000       46.01594 
1 1 1 -3  21 26 o 266.9858 22.06088 17.28963       2.745821  15.28201       3.762528  19.57711       4.016231  246.1601 33.35203 280.2673 30.98137 -34.10719      45.52145 
1 1 1 -3  21 27 o 101.1329 38.13533 2.112546       2.473840  1.477756       3.400938  2.825821       3.605055  104.5159 42.99249 117.5420 45.59866 -13.02611      62.67050 
1 1 1 -3  21 28 o 115.9692 40.28020 3.353499       2.687624  4.625446       4.193830  2.467074       3.501041  135.1105 49.90699 112.4859 44.54647 22.62462       66.89615 
1 1 1 -3  21 29 o 195.2762 34.48945 10.04788       3.052295  5.653984       4.832105  12.96504       3.937238  143.3423 53.44639 218.8372 39.70979 -75.49487      66.58366 
1 1 1 -3  23 1  o 344.6610 13.38219 27.97807       2.169644  30.58607       2.677467  22.99049       3.702670  360.2701 15.79889 310.8386 25.54885 49.43146       30.03912 
1 1 1 -3  23 2  o 763.2239 10.83176 137.1321       3.888841  140.1893       5.480788  134.0325       5.518712  771.3527 15.10500 754.1842 15.55575 17.16846       21.68277 
1 1 1 -3  23 3  o 725.9197 12.70337 124.1012       4.337872  137.6338       8.289249  118.9975       5.090559  763.3445 23.08476 710.6365 15.22820 52.70801       27.65510 
1 1 1 -3  23 4  o 586.4868 11.11486 80.98417       3.066419  73.81094       4.767415  86.04591       4.004752  559.4366 18.11602 604.3501 14.08698 -44.91351      22.94849 
1 1 1 -3  23 5  o 102.9973 21.43254 2.597995       1.004611  2.451745       1.026209  5.963140       4.922559  99.92364 22.38748 162.0104 54.56094 -62.08672      58.97538 
1 1 1 -3  23 6  o 368.5508 24.13571 32.25253       4.161228  37.69323       5.815872  26.54578       5.956373  397.3378 31.37131 331.4879 38.94016 65.84982       50.00495 
1 1 1 -3  23 7  o 135.1636 47.05493 3.954271       3.668723  13.83175       5.012661  -7.440547      5.383925  236.0834 46.79081 91.35136 43.77134 144.7320       64.07269 
1 1 1 -3  23 8  o 305.0644 27.77009 22.24124       3.941459  24.80083       5.509014  19.55708       5.641474  320.3658 37.25146 282.4234 43.88905 37.94238       57.56666 
1 1 1 -3  23 9  o 112.3292 44.73147 1.622686       3.548275  2.267836       4.954789  0.9435198      5.083734  132.1630 52.78605 124.7465 52.04782 7.416542       74.13057 
1 1 1 -3  23 10 o 219.8297 57.35176 12.24733       5.993013  0.000000       0.000000  12.24733       5.993013  ?        ?        219.8297 57.35176 0.000000       57.35176 
1 1 1 -3  23 11 o 389.4050 35.35350 36.53389       6.405369  36.53389       6.405369  0.000000       0.000000  389.4050 35.35350 ?        ?        0.000000       35.35350 
1 1 1 -3  23 12 o 94.70847 26.03078 2.196496       1.195578  2.338272       1.224229  -0.7265161     5.558748  97.56013 26.14556 119.9313 52.31199 -22.37120      58.48192 
1 1 1 -3  23 13 o 304.7940 12.65024 21.90545       1.813737  22.81731       1.893399  11.74792       6.319359  311.0549 12.94004 214.1644 60.21410 96.89047       61.58882 
1 1 1 -3  23 14 o 61.56344 28.75671 -1.959130      2.059487  -1.800478      2.444177  -2.347535      3.824310  70.00863 32.21936 89.41120 40.83191 -19.40257      52.01281 
1 1 1 -3  23 15 o 259.3603 19.51684 16.02485       2.363671  21.06828       3.221799  10.14605       3.478401  296.8775 23.25618 201.8556 38.02779 95.02187       44.57536 
1 1 1 -3  23 16 o 489.4241 13.08662 56.54032       3.012881  57.40191       5.277601  56.12376       3.669623  491.3549 22.83347 487.1871 16.01240 4.167816       27.88843 
1 1 1 -3  23 17 o 556.2051 12.15076 73.00504       3.179125  71.78133       5.135044  73.76557       4.048246  550.0035 19.84766 558.5315 15.40813 -8.527954      25.12648 
1 1 1 -3  23 18 o 134.1048 22.91364 4.399069       1.393550  5.724421       3.295579  4.110488       1.537799  150.7771 43.83965 128.8797 26.25709 21.89743       51.10137 
1 1 1 -3  23 19 o 424.5744 12.93234 42.58239       2.582856  40.29678       4.449004  43.74434       3.172159  410.4488 23.13711 429.8900 15.68658 -19.44128      27.95344 
1 1 1 -3  23 20 o 219.2584 17.99266 11.48495       1.839398  10.98755       3.659951  11.65304       2.127618  208.8121 38.68526 220.3060 20.77577 -11.49388      43.91107 
1 1 1 -3  23 21 o 454.8507 22.49244 49.42736       4.812544  49.42736       4.812544  0.000000       0.000000  454.8507 22.49244 ?        ?        0.000000       22.49244 
1 1 1 -3  23 22 o 283.7034 17.40834 19.19955       2.311996  10.26325       3.851982  24.23170       2.890564  199.4590 42.36284 318.3347 19.39572 -118.8756      46.59189 
1 1 1 -3  23 23 o 192.8600 24.66514 9.090334       2.186405  5.625490       3.594852  11.12448       2.754421  148.0188 46.40547 212.5040 28.25501 -64.48521      54.33059 
1 1 1 -3  23 24 o 353.7469 17.93914 29.92753       2.975364  26.04054       4.026751  34.60167       4.415694  326.7269 26.42623 377.5734 25.00306 -50.84650      36.37992 
1 1 1 -3  23 25 o 167.9468 29.62087 7.108679       2.254596  4.002448       3.288578  9.863537       3.096998  127.8937 44.54893 196.3608 34.80283 -68.46706      56.53180 
1 1 1 -3  23 26 o 114.9734 36.39229 3.358817       2.205869  3.114242       3.067061  3.620889       3.174870  116.4661 42.73457 122.3702 43.67072 -5.904060      61.10135 
1 1 1 -3  23 27 o 95.01019 37.66428 1.563384       2.505195  3.091558       3.949729  0.5348072      3.240405  120.9605 47.50103 94.79369 40.63514 26.16678       62.51050 
1 1 1 -3  25 1  o 487.4095 10.91172 55.94776       2.501823  57.71630       3.427366  53.93061       3.660339  494.7938 14.72539 478.1685 16.27313 16.62527       21.94657 
1 1 1 -3  25 2  o 549.9626 10.61600 71.22603       2.746399  71.84090       3.840517  70.58251       3.928984  552.0128 14.79010 547.1143 15.26627 4.898499       21.25573 
1 1 1 -3  25 3  o 648.0756 12.46700 98.95591       3.800643  108.4721       7.038203  95.03872       4.515631  677.2708 22.09175 634.8608 15.12066 42.40997       26.77088 
1 1 1 -3  25 4  o 138.6856 19.57721 4.632336       1.241661  3.332094       1.673023  6.226735       1.852628  116.2812 30.28551 160.1872 25.43637 -43.90605      39.55024 
1 1 1 -3  25 5  o 801.6623 10.47737 151.3522       3.951055  147.4479       4.196212  181.8668       11.73120  791.1735 11.27499 875.1263 28.49722 -83.95282      30.64665 
1 1 1 -3  25 6  o 318.5284 34.84982 24.49762       5.136586  24.49762       5.136586  0.000000       0.000000  318.5284 34.84982 ?        ?        0.000000       34.84982 
1 1 1 -3  25 7  o 597.0715 20.43876 84.30537       5.740506  79.69679       7.607798  90.39835       8.747620  579.1622 27.92476 616.3019 30.17360 -37.13971      41.11251 
1 1 1 -3  25 8  o 406.7469 24.58924 39.37671       4.682656  36.29608       6.212152  43.43044       7.126075  388.2361 34.37074 424.4810 36.02833 -36.24496      49.79346 
1 1 1 -3  25 9  o 491.3049 23.42262 57.23021       5.413222  67.00357       7.762636  47.97860       7.552589  529.0526 31.33142 445.9631 36.31752 83.08942       47.96479 
1 1 1 -3  25 10 o 167.2710 46.57771 7.008646       3.800342  5.374555       5.001001  9.241975       5.846491  155.7339 54.89116 192.2016 59.00475 -36.46774      80.58907 
1 1 1 -3  25 11 o 863.4730 21.42819 176.7055       8.703692  170.6302       11.70636  184.2152       13.01517  845.6573 29.42782 877.7565 31.52147 -32.09924      43.12308 
1 1 1 -3  25 12 o 150.3144 56.29273 4.461950       5.372035  4.461950       5.372035  0.000000       0.000000  150.3144 56.29273 ?        ?        0.000000       56.29273 
1 1 1 -3  25 13 f 409.2783 26.96809 40.10508       5.162949  32.34245       6.641354  51.96195       8.208004  363.5685 39.46686 462.2973 38.08275 -98.72879      54.84459 
1 1 1 -3  25 14 o 261.3383 11.86569 16.10892       1.458698  15.86510       1.493534  21.15339       6.793413  259.3294 12.24318 288.4459 51.97931 -29.11642      53.40173 
1 1 1 -3  25 15 o 307.1964 13.44173 22.28057       1.942408  21.86805       2.020142  27.33353       7.070158  304.2800 14.11365 330.5499 46.77576 -26.26993      48.85864 
1 1 1 -3  25 16 o 435.6613 14.97777 44.86681       3.069485  43.51058       3.711057  47.80416       5.461452  428.4762 18.41203 446.6878 26.10531 -18.21161      31.94511 
1 1 1 -3  25 17 o 489.7754 13.81394 56.68038       3.182613  55.47585       4.227805  58.25563       4.834810  483.6447 18.58315 495.1057 20.75927 -11.46103      27.86181 
1 1 1 -3  25 18 o 449.1302 16.59512 47.78765       3.506081  38.31748       7.809390  50.17836       3.923751  392.1944 43.03709 459.9064 18.13689 -67.71201      46.70265 
1 1 1 -3  25 19 o 466.7986 13.31281 51.51245       2.923268  43.63853       5.073591  55.42542       3.576618  426.0681 25.43033 483.7191 15.71846 -57.65100      29.89602 
1 1 1 -3  25 20 o 165.3428 22.46242 6.646854       1.701848  7.248120       3.256420  6.420928       1.996138  167.8232 41.48560 161.2520 27.28932 6.571274       49.65644 
1 1 1 -3  25 21 o 271.3514 33.59784 18.25208       4.196892  18.25208       4.196892  0.000000       0.000000  271.3514 33.59784 ?        ?        0.000000       33.59784 
1 1 1 -3  25 22 o 174.7548 22.17211 7.434303       1.781652  3.936438       3.104362  9.152328       2.175633  127.5819 43.32662 193.5290 24.44361 -65.94709      49.74622 
1 1 1 -3  25 23 o 214.0057 20.96379 11.08697       2.083299  9.347250       3.268199  12.27773       2.703843  190.3719 37.82829 223.6043 26.20266 -33.23238      46.01694 
1 1 1 -3  25 24 o 116.2580 46.11853 2.428225       3.758410  -0.5258621     5.158763  5.769917       5.486775  110.9174 49.30153 152.5848 56.94025 -41.66747      75.31821 
1 1 1 -3  25 25 o 129.1241 47.47986 4.001525       3.788883  2.742866       5.419238  5.205113       5.299354  129.8754 53.92459 145.8230 55.61495 -15.94757      77.46538 
1 1 1 -3  27 1  o 634.2598 12.47084 94.82291       3.720765  98.06988       4.485836  87.66351       6.661059  644.7445 14.79062 608.2146 23.28183 36.52991       27.58271 
1 1 1 -3  27 2  o 489.2639 10.91332 56.39659       2.511709  66.55307       3.749940  48.13257       3.382583  531.1011 15.00990 451.5716 15.92402 79.52951       21.88313 
1 1 1 -3  27 3  o 171.5809 26.09027 7.145920       2.039453  0.000000       0.000000  7.145920       2.039453  ?        ?        171.5809 26.09027 0.000000       26.09027 
1 1 1 -3  27 4  o 615.8953 14.42997 89.48907       4.180630  89.48907       4.180630  0.000000       0.000000  615.8953 14.42997 ?        ?        0.000000       14.42997 
1 1 1 -3  27 5  o 301.2743 8.639942 21.37214       1.224453  21.10250       1.254281  26.84007       5.648221  299.3573 8.907089 332.5783 36.71555 -33.22098      37.78052 
1 1 1 -3  27 6  o 343.1518 24.47096 28.08843       3.924199  30.38050       5.077296  24.68787       6.184338  355.5771 30.65450 317.0146 42.54465 38.56247       52.43801 
1 1 1 -3  27 7  o 92.68010 40.50961 -0.5962797     3.348905  -0.2889120     4.206320  -1.128419      5.534595  106.2616 45.93005 117.3804 51.67126 -11.11878      69.13384 
1 1 1 -3  27 8  o 561.2900 21.61795 74.66807       5.707831  74.16766       7.571053  75.32700       8.687890  556.9913 28.99627 559.9673 33.12980 -2.975952      44.02689 
1 1 1 -3  27 9  o 729.8099 31.66681 127.4079       10.87135  0.000000       0.000000  127.4079       10.87135  ?        ?        729.8099 31.66681 0.000000       31.66681 
1 1 1 -3  27 10 o 559.6479 23.33869 74.37349       6.144135  66.02260       8.102632  85.67183       9.424691  523.8184 33.05285 596.6879 33.71568 -72.86951      47.21481 
1 1 1 -3  27 11 o 120.2151 47.48935 2.132257       3.969740  -1.579965      5.098444  7.847800       6.326296  109.7653 48.88749 181.2217 61.84902 -71.45637      78.83710 
1 1 1 -3  27 12 o 174.5331 48.36812 7.721929       4.108419  11.13258       5.392313  3.002378       6.343175  207.8846 54.48214 147.3809 59.41989 60.50372       80.61654 
1 1 1 -3  27 13 o 277.4833 35.45794 18.84939       4.522450  24.91677       6.101763  11.45363       6.736691  317.4084 41.88997 210.1568 63.09229 107.2516       75.73247 
1 1 1 -3  27 14 o 405.2848 27.53437 39.44191       5.218207  35.49346       6.757687  45.27349       8.212555  380.7254 38.24996 429.1324 41.18948 -48.40707      56.21061 
1 1 1 -3  27 15 o 271.6263 35.19682 18.12400       4.391481  13.22236       5.661760  25.52616       6.957607  225.3414 54.09719 318.0159 48.00392 -92.67453      72.32484 
1 1 1 -3  27 16 o 216.3536 13.94878 11.10904       1.412048  11.56433       1.449162  2.560345       6.279468  220.7492 14.02842 142.7179 58.52926 78.03127       60.18697 
1 1 1 -3  27 17 o 254.2176 14.74347 15.34208       1.755519  15.34208       1.755519  0.000000       0.000000  254.2176 14.74347 ?        ?        0.000000       14.74347 
1 1 1 -3  27 18 o 157.8777 49.28765 6.335167       4.060074  13.66825       5.924989  -0.1563318     5.574638  226.3680 55.95995 120.3147 52.43549 106.0533       76.68765 
1 1 1 -3  27 19 o 229.7672 40.63549 13.43147       4.231327  21.27824       6.332382  7.101665       5.687439  286.4312 48.74379 168.4884 58.59153 117.9428       76.21630 
1 1 1 -3  27 20 o 179.9983 58.85250 8.623663       5.737661  0.000000       0.000000  8.623663       5.737661  ?        ?        179.9983 58.85250 0.000000       58.85250 
1 1 1 -3  27 21 o 276.9419 33.74586 19.14587       4.305310  30.67776       6.650463  10.82640       5.648709  346.6901 41.61073 197.8351 57.35874 148.8550       70.86239 
1 1 1 -3  27 22 o 270.1739 36.09412 18.49801       4.472521  10.23781       6.398817  26.38823       6.253874  190.0890 62.15084 319.1575 42.72808 -129.0686      75.42159 
1 1 1 -3  29 1  o 342.2811 14.13517 27.64034       2.275900  28.58696       2.656271  25.02676       4.413700  347.9226 16.23007 322.7724 29.39152 25.15018       33.57494 
1 1 1 -3  29 2  o 632.5328 10.58666 94.26768       3.150007  96.25720       4.442200  92.25545       4.467474  638.6441 14.78666 625.1689 15.19131 13.47516       21.19955 
1 1 1 -3  29 3  o 206.0997 22.79424 10.19226       2.172901  0.000000       0.000000  10.19226       2.172901  ?        ?        206.0997 22.79424 0.000000       22.79424 
1 1 1 -3  29 4  o 752.3561 12.88058 133.4869       4.558564  132.2180       5.153553  138.0500       9.772899  748.4828 14.63712 761.5978 27.27900 -13.11505      30.95786 
1 1 1 -3  29 5  o 710.9668 25.22017 120.1249       8.434640  120.1249       8.434640  0.000000       0.000000  710.9668 25.22017 ?        ?        0.000000       25.22017 
1 1 1 -3  29 6  o 348.8052 24.69282 29.04848       4.025380  27.21760       5.226483  31.71819       6.311197  335.4411 33.57338 361.1253 37.70836 -25.68423      50.48853 
1 1 1 -3  29 7  o 534.3264 21.17492 67.67242       5.322280  72.97860       7.251034  61.47444       7.836722  552.6136 27.98514 505.4353 33.14447 47.17828       43.37884 
1 1 1 -3  29 8  o 393.9627 38.66690 37.81213       7.073435  0.000000       0.000000  37.81213       7.073435  ?        ?        393.9627 38.66690 0.000000       38.66690 
1 1 1 -3  29 9  o 639.7949 21.71195 97.12703       6.534448  99.88110       8.862675  93.84662       9.672556  646.5381 29.14080 624.4920 33.04404 22.04608       44.05785 
1 1 1 -3  29 10 o 598.5161 22.94729 85.12683       6.460655  74.94055       8.467836  99.31630       9.994193  557.8492 32.40874 642.0876 33.20260 -84.23840      46.39762 
1 1 1 -3  29 11 o 451.7543 33.96001 49.40548       7.163909  49.40548       7.163909  0.000000       0.000000  451.7543 33.96001 ?        ?        0.000000       33.96001 
1 1 1 -3  29 12 o 413.6429 25.92221 40.99263       5.018426  40.72533       6.764339  41.31986       7.484419  409.0478 35.50683 410.5419 39.23298 -1.494080      52.91466 
1 1 1 -3  29 13 o 143.8095 46.74674 5.013475       3.621955  4.913794       4.797014  5.145660       5.524014  148.9263 53.62344 155.0644 57.27743 -6.138123      78.46130 
1 1 1 -3  29 14 o 357.6936 38.86564 31.56956       6.434291  0.000000       0.000000  31.56956       6.434291  ?        ?        357.6936 38.86564 0.000000       38.86564 
1 1 1 -3  29 15 o 92.66962 40.82661 -0.7034648     3.461839  4.628419       4.937445  -5.859097      4.855153  146.5841 54.14989 88.16430 42.05892 58.41976       68.56503 
1 1 1 -3  29 16 o 169.9405 46.89740 7.478880       3.871496  13.88228       5.513406  1.250297       5.437624  229.6749 52.21373 126.7594 53.41691 102.9155       74.69698 
1 1 1 -3  29 17 o 158.9968 46.91792 6.526654       3.749940  6.765756       5.152747  6.257432       5.467688  164.1820 55.81945 161.0672 57.32800 3.114883       80.01444 
1 1 1 -3  29 18 o 116.0551 44.75190 2.497984       3.456287  3.020214       4.766921  1.919144       5.018644  131.3044 51.98579 125.8724 52.04729 5.432060       73.56251 
1 1 1 -3  29 19 o 262.2820 35.19812 17.25055       4.233093  17.41974       5.907031  17.07194       6.069262  255.4993 50.93578 251.7246 52.93454 3.774612       73.46100 
1 1 1 -3  31 1  o 521.5067 10.93329 64.10308       2.682131  66.44414       3.774106  61.71428       3.812395  530.4315 15.12570 511.1012 15.85702 19.33032       21.91419 
1 1 1 -3  31 2  o 498.7206 15.60106 58.75475       3.659996  0.000000       0.000000  58.75475       3.659996  ?        ?        498.7206 15.60106 0.000000       15.60106 
1 1 1 -3  31 3  o 519.6676 12.71853 63.70387       3.109080  77.28895       6.236131  59.21020       3.586618  570.4500 23.23958 500.6857 15.22828 69.76428       27.78450 
1 1 1 -3  31 4  o 348.9222 13.43695 28.73088       2.205458  29.79668       2.423835  23.60286       5.316684  355.2371 14.50492 310.8107 37.09735 44.42642       39.83223 
1 1 1 -3  31 5  o 160.4299 41.68362 6.482769       3.174290  7.012486       4.151532  5.737218       4.925221  167.1746 49.37631 157.6827 54.54172 9.491928       73.57187 
1 1 1 -3  31 6  o 372.8150 23.72260 33.18091       4.138670  33.70987       5.744421  32.60999       5.967900  373.2285 33.06131 366.4083 35.05250 6.820221       48.18431 
1 1 1 -3  31 7  o 381.1033 24.56870 34.71846       4.381009  40.66588       6.365786  29.36683       6.038525  409.9449 33.29866 346.5254 37.65056 63.41949       50.26297 
1 1 1 -3  31 8  o 224.9621 52.18981 13.04697       5.415987  0.000000       0.000000  13.04697       5.415987  ?        ?        224.9621 52.18981 0.000000       52.18981 
1 1 1 -3  31 9  o 473.3883 21.93925 53.27436       4.885495  54.22117       6.791889  52.25922       7.032668  474.2755 30.60658 464.9178 32.35864 9.357697       44.54036 
1 1 1 -3  31 10 o 387.9659 33.60726 36.59335       6.072740  36.59335       6.072740  0.000000       0.000000  387.9659 33.60726 ?        ?        0.000000       33.60726 
1 1 1 -3  31 11 o 359.0198 26.48842 31.00812       4.441868  34.92866       6.351955  27.25624       6.213824  377.6455 36.19998 331.4318 40.71223 46.21375       54.47866 
1 1 1 -3  31 12 o 272.0977 31.33744 18.08722       3.937761  25.10405       5.890131  12.41677       5.294965  317.6507 40.32767 217.8865 52.32049 99.76416       66.05872 
1 1 1 -3  31 13 o 174.8065 43.77186 7.865729       3.591311  10.34186       5.422119  5.930440       4.793531  197.8011 55.83297 156.6092 53.82824 41.19191       77.55515 
1 1 1 -3  31 14 o 470.5433 22.85873 52.92548       5.059656  53.38883       7.175619  52.46730       7.135419  467.6015 32.83036 463.4717 32.94312 4.129822       46.50894 
1 1 1 -3  31 15 o 170.9767 43.85704 7.591170       3.544461  5.249703       4.890822  10.18133       5.144006  150.0915 54.13225 195.2200 54.12926 -45.12849      76.55245 
1 1 1 -3  31 16 o 110.8582 48.38377 -0.1593639     4.761701  -0.1593639     4.761701  0.000000       0.000000  110.8582 48.38377 ?        ?        0.000000       48.38377 
1 1 1 -3  33 5  o 581.5717 30.57490 81.51012       8.335094  81.51012       8.335094  0.000000       0.000000  581.5717 30.57490 ?        ?        0.000000       30.57490 
1 1 1 -3  33 6  o 317.5358 25.64319 24.24305       3.797632  32.52081       6.095740  18.99227       4.854919  364.5298 36.01991 276.9396 38.29173 87.59018       52.57081 
1 1 1 -3  33 7  o 285.0073 28.51177 19.67897       3.771235  22.08086       5.679967  17.78538       5.043284  297.4137 41.74897 266.4702 41.59290 30.94345       58.93170 
1 1 1 -3  33 8  o 134.1880 46.21129 4.176165       3.533731  11.45363       5.496148  -0.9521404     4.613763  208.6464 55.15974 106.2174 46.94619 102.4290       72.43301 
1 1 1 -3  33 9  o 534.5333 21.29646 68.05027       5.354901  76.09988       7.719115  60.58265       7.434831  561.4313 29.32997 499.6213 31.79989 61.80994       43.26061 
1 1 1 -3  33 10 o 421.7759 23.20633 42.62521       4.586523  37.15815       6.128893  49.58383       6.914594  389.6831 33.76883 450.9824 32.81912 -61.29929      47.08958 
1 1 1 -2  0  1  o 700.8688 10.90022 115.6444       3.591737  115.6444       3.591737  115.6444       3.591737  700.8688 10.90022 700.8688 10.90022 0.000000       0.000000 
1 1 1 -2  0  2  o 1059.310 15.06699 264.2014       7.504488  264.2014       7.504488  264.2014       7.504488  1059.310 15.06699 1059.310 15.06699 0.000000       0.000000 
1 1 1 -2  0  3  o 593.0319 10.95853 82.82065       3.054675  82.82065       3.054675  82.82065       3.054675  593.0319 10.95853 593.0319 10.95853 0.000000       0.000000 
1 1 1 -2  0  4  o 1380.219 19.38286 448.6456       12.57889  448.6456       12.57889  448.6456       12.57889  1380.219 19.38286 1380.219 19.38286 0.000000       0.000000 
1 1 1 -2  0  5  o 582.6738 17.41788 80.11297       4.764428  80.11297       4.764428  80.11297       4.764428  582.6738 17.41788 582.6738 17.41788 0.000000       0.000000 
1 1 1 -2  0  6  o 368.4839 13.18339 32.06872       2.278516  32.06872       2.278516  32.06872       2.278516  368.4839 13.18339 368.4839 13.18339 0.000000       0.000000 
1 1 1 -2  0  7  f 951.7767 15.97702 213.3469       7.148654  213.3469       7.148654  213.3469       7.148654  951.7767 15.97702 951.7767 15.97702 0.000000       0.000000 
1 1 1 -2  0  8  o 308.4066 23.95311 22.79727       3.426790  22.79727       3.426790  22.79727       3.426790  308.4066 23.95311 308.4066 23.95311 0.000000       0.000000 
1 1 1 -2  0  9  o 911.9431 16.74354 195.9124       7.177183  195.9124       7.177183  195.9124       7.177183  911.9431 16.74354 911.9431 16.74354 0.000000       0.000000 
1 1 1 -2  0  10 o 852.4702 16.76273 171.2334       6.716055  171.2334       6.716055  171.2334       6.716055  852.4702 16.76273 852.4702 16.76273 0.000000       0.000000 
1 1 1 -2  0  11 o 864.9541 17.45287 176.3414       7.094636  176.3414       7.094636  176.3414       7.094636  864.9541 17.45287 864.9541 17.45287 0.000000       0.000000 
1 1 1 -2  0  12 o 183.6502 37.54829 8.894777       2.868119  8.894777       2.868119  8.894777       2.868119  183.6502 37.54829 183.6502 37.54829 0.000000       0.000000 
1 1 1 -2  0  13 o 519.5113 18.74634 63.83019       4.567684  63.83019       4.567684  63.83019       4.567684  519.5113 18.74634 519.5113 18.74634 0.000000       0.000000 
1 1 1 -2  0  14 o 219.4890 35.87171 12.24710       3.406568  12.24710       3.406568  12.24710       3.406568  219.4890 35.87171 219.4890 35.87171 0.000000       0.000000 
1 1 1 -2  0  15 o 252.0103 32.03823 15.68356       3.630652  15.68356       3.630652  15.68356       3.630652  252.0103 32.03823 252.0103 32.03823 0.000000       0.000000 
1 1 1 -2  0  16 o 86.78780 49.87582 2.240952       3.251527  2.240952       3.251527  2.240952       3.251527  86.78780 49.87582 86.78780 49.87582 0.000000       0.000000 
1 1 1 -2  0  17 o 1272.393 22.38508 381.5355       13.38894  381.5355       13.38894  381.5355       13.38894  1272.393 22.38508 1272.393 22.38508 0.000000       0.000000 
1 1 1 -2  0  19 o 1355.791 23.93600 433.3578       15.25486  433.3578       15.25486  433.3578       15.25486  1355.791 23.93600 1355.791 23.93600 0.000000       0.000000 
1 1 1 -2  0  20 o 824.2890 22.42068 160.3896       8.679017  160.3896       8.679017  160.3896       8.679017  824.2890 22.42068 824.2890 22.42068 0.000000       0.000000 
1 1 1 -2  0  21 o 70.92381 47.28595 -1.363315      4.286566  -1.363315      4.286566  -1.363315      4.286566  70.92381 47.28595 70.92381 47.28595 0.000000       0.000000 
1 1 1 -2  0  22 o 361.1331 31.15094 31.46748       5.201270  31.46748       5.201270  31.46748       5.201270  361.1331 31.15094 361.1331 31.15094 0.000000       0.000000 
1 1 1 -2  0  23 o 272.5067 68.49461 20.74911       7.594151  20.74911       7.594151  20.74911       7.594151  272.5067 68.49461 272.5067 68.49461 0.000000       0.000000 
1 1 1 -2  0  25 o 627.4013 25.89287 93.55090       7.612200  93.55090       7.612200  93.55090       7.612200  627.4013 25.89287 627.4013 25.89287 0.000000       0.000000 
1 1 1 -2  0  26 o 275.1704 42.95572 19.34640       5.156348  19.34640       5.156348  19.34640       5.156348  275.1704 42.95572 275.1704 42.95572 0.000000       0.000000 
1 1 1 -2  0  27 o 570.4703 26.66436 77.71178       7.119777  77.71178       7.119777  77.71178       7.119777  570.4703 26.66436 570.4703 26.66436 0.000000       0.000000 
1 1 1 -2  0  28 o 498.9145 27.59679 59.74511       6.431403  59.74511       6.431403  59.74511       6.431403  498.9145 27.59679 498.9145 27.59679 0.000000       0.000000 
1 1 1 -2  0  29 o 198.1379 58.45735 11.77376       4.736389  11.77376       4.736389  11.77376       4.736389  198.1379 58.45735 198.1379 58.45735 0.000000       0.000000 
1 1 1 -2  0  30 o 92.89065 57.02715 2.099504       4.806244  2.099504       4.806244  2.099504       4.806244  92.89065 57.02715 92.89065 57.02715 0.000000       0.000000 
1 1 1 -2  0  31 o 69.21979 47.26686 -2.453071      4.805653  -2.453071      4.805653  -2.453071      4.805653  69.21979 47.26686 69.21979 47.26686 0.000000       0.000000 
1 1 1 -2  0  32 f 80.42589 53.72667 -1.125743      5.581591  -1.125743      5.581591  -1.125743      5.581591  80.42589 53.72667 80.42589 53.72667 0.000000       0.000000 
1 1 1 -2  0  33 o 100.4947 59.37710 3.371052       4.822128  3.371052       4.822128  3.371052       4.822128  100.4947 59.37710 100.4947 59.37710 0.000000       0.000000 
1 1 1 -2  0  34 o 51.08994 36.48066 -5.386423      3.944812  -5.386423      3.944812  -5.386423      3.944812  51.08994 36.48066 51.08994 36.48066 0.000000       0.000000 
1 1 1 -2  0  35 o 191.9355 76.29447 13.93876       6.651569  13.93876       6.651569  13.93876       6.651569  191.9355 76.29447 191.9355 76.29447 0.000000       0.000000 
1 1 1 -2  0  36 o 92.67046 59.23364 2.101070       5.772172  2.101070       5.772172  2.101070       5.772172  92.67046 59.23364 92.67046 59.23364 0.000000       0.000000 
1 1 1 -2  2  1  o 710.8836 11.47538 118.9193       3.837382  0.000000       0.000000  118.9193       3.837382  ?        ?        710.8836 11.47538 0.000000       11.47538 
1 1 1 -2  2  2  o 974.9846 10.02592 223.6664       4.598237  218.7198       6.350163  229.1191       6.667192  963.9679 14.00403 986.5991 14.36590 -22.63123      20.06220 
1 1 1 -2  2  3  o 114.1167 9.606242 3.085764       0.5108737 3.124219       0.7437382 3.051410       0.7029547 114.3424 14.12799 113.0617 13.48324 1.280701       19.52942 
1 1 1 -2  2  4  o 1036.831 12.64450 253.0012       6.167073  256.7480       10.76847  251.1726       7.522959  1043.836 21.93070 1032.919 15.48293 10.91687       26.84543 
1 1 1 -2  2  5  o 634.5486 8.912143 94.73323       2.660212  93.79958       3.724049  95.70605       3.801359  631.3190 12.53999 637.6984 12.67227 -6.379395      17.82800 
1 1 1 -2  2  6  o 1017.256 11.42569 243.5117       5.467416  233.6934       7.437395  255.0565       8.064853  996.3033 15.86938 1040.807 16.47240 -44.50366      22.87307 
1 1 1 -2  2  7  o 576.9874 11.01379 78.33842       2.989319  75.98098       3.649487  83.14507       5.211130  568.1682 13.65481 594.1665 18.64466 -25.99829      23.11011 
1 1 1 -2  2  8  o 682.3178 10.44452 109.5470       3.352314  105.2731       4.615454  114.3193       4.877136  668.7347 14.67206 696.8665 14.87805 -28.13177      20.89560 
1 1 1 -2  2  9  f 759.6519 11.11084 135.8001       3.970367  131.5266       5.505441  140.4315       5.731260  747.4069 15.65906 772.2878 15.77617 -24.88092      22.22822 
1 1 1 -2  2  10 o 1152.673 13.41204 312.7856       7.272271  303.0572       10.01500  323.6368       10.57710  1134.110 18.77268 1171.938 19.18635 -37.82788      26.84268 
1 1 1 -2  2  11 o 960.5643 14.57197 217.3298       6.584369  211.0880       11.17564  220.6485       8.148890  945.3242 25.13173 967.5148 17.90488 -22.19067      30.85756 
1 1 1 -2  2  12 o 627.5704 14.45176 92.81221       4.266312  94.35464       5.221569  89.71463       7.399613  632.4734 17.55050 615.7451 25.54693 16.72833       30.99461 
1 1 1 -2  2  13 o 214.8526 22.39745 11.02635       2.230370  12.91343       3.170310  9.177096       3.138371  231.4677 29.80945 193.3566 35.82375 38.11108       46.60413 
1 1 1 -2  2  14 o 404.7304 16.79406 38.60933       3.197354  39.50911       4.085869  37.18787       5.135481  408.6023 21.33160 395.5276 27.77779 13.07465       35.02346 
1 1 1 -2  2  15 o 206.6271 28.39145 10.27206       2.686663  14.67896       4.850813  8.322003       3.226793  244.9920 43.69382 183.9870 38.51883 61.00494       58.24818 
1 1 1 -2  2  16 o 650.0034 13.95090 99.46207       4.265667  101.1538       6.102837  97.84605       5.964666  655.2122 19.80070 644.4175 19.67657 10.79474       27.91478 
1 1 1 -2  2  17 o 437.9442 23.89681 45.35979       4.904373  47.53270       7.242588  43.51962       6.665018  447.0145 34.71545 427.8034 33.38410 19.21109       48.16286 
1 1 1 -2  2  18 o 1036.355 15.22361 252.8995       7.421565  255.4867       10.67163  250.4762       10.32815  1041.025 21.79217 1030.820 21.29955 10.20532       30.47244 
1 1 1 -2  2  19 o 382.2969 18.86686 34.44262       3.392888  41.45042       5.068331  28.75202       4.567234  418.2333 25.88914 347.7459 28.16226 70.48743       38.25389 
1 1 1 -2  2  20 o 820.0206 17.42485 158.4642       6.721454  157.4650       8.340576  160.3151       11.35214  816.9952 21.70237 823.3379 29.31098 -6.342651      36.47090 
1 1 1 -2  2  21 o 435.7862 21.46835 44.82206       4.400899  50.29727       7.852857  42.31510       5.313757  458.6909 36.70212 422.1666 26.89776 36.52429       45.50313 
1 1 1 -2  2  22 o 770.4812 16.06319 139.9543       5.821879  135.7862       8.123004  144.3568       8.348381  758.0204 22.78067 781.5889 22.70673 -23.56848      32.16449 
1 1 1 -2  2  23 o 433.3395 22.87242 44.55410       4.645888  45.06540       7.999665  44.29388       5.706955  432.0750 39.80658 431.0784 28.30073 0.9966736      48.84153 
1 1 1 -2  2  24 o 669.0304 17.15064 105.7383       5.397536  99.02776       7.533441  112.8167       7.737173  645.9169 24.79405 689.6559 23.84957 -43.73895      34.40271 
1 1 1 -2  2  25 o 338.7353 23.35385 27.39468       3.698509  25.16909       5.227079  29.62607       5.233891  321.5717 35.12639 350.0732 32.14211 -28.50143      47.61280 
1 1 1 -2  2  26 o 104.4461 44.04025 0.5396480      3.699722  4.456685       4.593427  -6.694412      6.242363  143.7160 52.36401 102.1893 48.44451 41.52672       71.33624 
1 1 1 -2  2  27 o 418.2750 24.46361 42.02458       4.792429  39.83353       7.856165  43.32316       6.048107  398.9496 42.51741 422.2358 30.65968 -23.28613      52.41894 
1 1 1 -2  2  28 o 429.9502 20.97256 44.18628       4.241691  43.90902       6.059048  44.45276       5.940035  423.8058 30.59834 426.8610 29.76875 -3.055206      42.69001 
1 1 1 -2  2  29 o 83.54794 38.52837 -2.258921      3.519861  0.7975625      6.590189  -3.478851      4.163459  131.3817 57.13813 86.78663 40.65073 44.59510       70.12309 
1 1 1 -2  2  30 o 149.9315 54.51591 5.635911       4.975019  5.635911       4.975019  0.000000       0.000000  149.9315 54.51591 ?        ?        0.000000       54.51591 
1 1 1 -2  2  31 f 142.4220 44.83699 5.388981       3.352048  1.666697       4.660510  9.378291       4.824781  117.8331 49.54325 182.2085 53.06341 -64.37537      72.59656 
1 1 1 -2  2  32 o 385.8812 23.43166 36.41244       4.233166  33.45367       6.000801  39.34336       5.972500  360.7985 35.83089 394.3948 32.48141 -33.59631      48.36213 
1 1 1 -2  2  33 o 146.0507 45.04753 5.952297       3.403169  1.227227       4.695374  11.18152       4.939517  112.6392 48.60691 194.2884 52.70828 -81.64927      71.69933 
1 1 1 -2  2  34 o 183.3129 46.48223 9.798126       4.013918  11.75684       7.294764  8.947556       4.807075  183.0990 66.09920 169.9077 53.71683 13.19125       85.17395 
1 1 1 -2  2  35 o 124.7632 45.99802 4.368497       3.559419  9.450060       6.061709  1.694311       4.397363  164.2612 60.10735 108.6182 46.95506 55.64297       76.27366 
1 1 1 -2  2  36 o 121.9996 46.95155 4.385190       3.798576  0.1707194      5.064766  9.803805       5.742910  102.3706 46.84137 161.2823 58.58307 -58.91168      75.00727 
1 1 1 -2  4  1  o 857.7446 9.267748 173.0994       3.739397  170.2868       5.194725  176.1242       5.387133  850.6154 12.98255 865.0612 13.23859 -14.44580      18.54202 
1 1 1 -2  4  2  o 1433.089 13.90541 483.3953       9.374032  469.3253       12.74337  499.9860       13.83794  1411.614 19.19107 1456.886 20.19187 -45.27222      27.85693 
1 1 1 -2  4  3  o 286.1925 6.628191 19.26762       0.8923240 17.85177       1.250965  20.73425       1.273202  275.4510 9.654540 296.8630 9.117416 -21.41202      13.27921 
1 1 1 -2  4  4  o 575.6187 8.063103 77.94999       2.183265  81.42144       3.217785  74.98852       2.972042  588.2183 11.62918 564.5140 11.19208 23.70428       16.14003 
1 1 1 -2  4  5  o 1127.086 11.95842 298.9431       6.340158  301.6423       9.054564  296.3465       8.880642  1131.851 17.00627 1121.884 16.82780 9.966797       23.92463 
1 1 1 -2  4  6  o 730.9552 11.48933 125.7295       3.950523  122.8959       4.652180  133.0559       7.480505  722.5959 13.68648 751.5031 21.16074 -28.90717      25.20112 
1 1 1 -2  4  7  o 338.4514 10.50377 26.95364       1.672287  27.85907       2.381602  26.07306       2.348685  344.0184 14.71696 332.8031 15.00266 11.21536       21.01591 
1 1 1 -2  4  8  o 894.6694 11.32519 188.3630       4.766256  187.0201       6.701209  189.7378       6.780498  891.2396 15.98415 897.6875 16.05710 -6.447937      22.65664 
1 1 1 -2  4  9  o 432.8932 13.35630 44.11320       2.719795  40.84424       4.792197  45.66649       3.303362  415.3990 24.63445 440.3693 15.94666 -24.97031      29.34540 
1 1 1 -2  4  10 o 478.1023 17.17632 53.85697       3.862961  57.37218       5.311808  49.91082       5.627996  493.1230 22.89907 458.9850 26.17515 34.13797       34.77795 
1 1 1 -2  4  11 o 570.9249 13.97282 76.78769       3.752602  76.07016       6.668100  77.12027       4.539727  567.2561 24.98927 571.9507 16.87337 -4.694580      30.15252 
1 1 1 -2  4  12 o 131.7073 31.55150 4.283029       1.929090  2.640835       2.821383  5.724762       2.643579  114.3139 41.12828 152.0163 37.25820 -37.70230      55.49512 
1 1 1 -2  4  13 o 144.8284 33.99928 5.180076       2.276627  6.457017       2.977526  3.382878       3.532387  161.4521 39.52367 128.5659 46.04460 32.88628       60.68134 
1 1 1 -2  4  14 o 1140.433 14.36052 306.2900       7.703876  305.0962       10.90571  307.4790       10.88417  1137.474 20.38184 1141.924 20.26230 -4.450195      28.73987 
1 1 1 -2  4  15 o 659.2265 13.25237 102.2999       4.109581  104.2899       5.948288  100.4825       5.684343  665.3110 19.00632 653.0834 18.50301 12.22760       26.52548 
1 1 1 -2  4  16 o 1544.078 17.27792 561.4946       12.54960  575.5147       18.26832  548.9658       17.26940  1562.144 24.86041 1525.818 24.06054 36.32629       34.59696 
1 1 1 -2  4  17 o 1278.721 15.84989 385.0192       9.533916  392.4521       13.76641  378.1683       13.21640  1290.241 22.68194 1266.607 22.18205 23.63391       31.72560 
1 1 1 -2  4  18 o 882.4055 14.74155 183.3366       6.119002  177.0692       8.574759  189.8397       8.734606  866.7032 21.03208 897.4451 20.69027 -30.74188      29.50315 
1 1 1 -2  4  19 o 236.3046 33.76464 13.48122       3.646502  13.30249       4.217874  14.01011       7.255690  233.5920 39.81301 237.2595 63.67940 -3.667465      75.10088 
1 1 1 -2  4  20 o 597.7465 16.04515 84.18063       4.511596  81.14751       6.420114  87.13978       6.341336  586.3288 23.27728 607.6913 22.18342 -21.36249      32.15487 
1 1 1 -2  4  21 o 95.94122 39.55075 0.6646624      2.885936  1.427556       4.145124  -0.5300986E-01 4.020394  118.1014 47.88670 106.2724 45.40103 11.82899       65.98780 
1 1 1 -2  4  22 f 585.3843 19.45647 80.89035       5.357650  78.32938       9.284708  82.16877       6.559993  572.7917 34.62167 589.4816 23.65722 -16.68994      41.93238 
1 1 1 -2  4  23 f 289.7238 25.80559 20.05644       3.480139  21.98047       5.057171  18.32565       4.796490  301.1936 36.43461 274.2094 38.22485 26.98419       52.80739 
1 1 1 -2  4  24 o 653.0938 17.05353 100.7801       5.239129  111.7972       7.815583  91.78941       7.060339  686.2789 24.20981 621.8615 24.13585 64.41742       34.18559 
1 1 1 -2  4  25 o 139.0338 52.09126 3.797738       4.601059  3.797738       4.601059  0.000000       0.000000  139.0338 52.09126 ?        ?        0.000000       52.09126 
1 1 1 -2  4  26 o 556.1397 18.84581 73.39493       4.930241  70.31275       6.977869  76.46749       6.966970  540.9803 27.51096 565.3346 26.19806 -24.35431      37.98935 
1 1 1 -2  4  27 o 173.9588 39.88373 7.741886       3.194051  4.857040       4.425446  10.87866       4.614632  144.9027 51.57541 203.9013 48.76812 -58.99860      70.98135 
1 1 1 -2  4  28 o 199.0596 41.91408 10.25907       3.800683  13.73365       7.392812  9.010801       4.431110  220.3899 66.07732 183.9210 49.93312 36.46892       82.82227 
1 1 1 -2  4  29 o 521.1162 19.32219 64.95206       4.736528  73.66120       6.990079  57.55847       6.440541  550.6177 26.98750 485.2029 28.34147 65.41473       39.13520 
1 1 1 -2  4  30 o 228.6727 33.82621 13.25168       3.528825  16.81669       4.999183  9.711302       4.981887  252.6172 43.64801 186.4556 53.81137 66.16159       69.28790 
1 1 1 -2  4  31 o 492.0994 28.56306 59.83405       6.583464  59.83405       6.583464  0.000000       0.000000  492.0994 28.56306 ?        ?        0.000000       28.56306 
1 1 1 -2  4  32 f 98.60925 41.40160 1.017687       3.247106  1.448069       4.676828  0.6171390      4.511817  115.2672 49.09851 108.8555 47.30927 6.411690       68.18233 
1 1 1 -2  4  33 o 71.07996 33.95631 -3.535827      3.187851  -1.450861      4.442189  -5.749705      4.577459  96.05610 43.92108 81.25666 39.28846 14.79944       58.92915 
1 1 1 -2  4  34 o 171.2910 44.38976 8.465530       3.605977  7.642688       6.089613  8.909856       4.474882  156.3781 59.62313 170.7250 51.45910 -14.34691      78.75885 
1 1 1 -2  4  35 o 163.6302 42.69353 7.876749       3.320865  10.91558       5.591195  6.220439       4.127834  177.5441 58.09873 141.9162 49.88381 35.62782       76.57583 
1 1 1 -2  4  36 o 84.91268 41.17649 -4.824614      5.117605  -4.824614      5.117605  0.000000       0.000000  84.91268 41.17649 ?        ?        0.000000       41.17649 
1 1 1 -2  6  1  o 476.8272 7.385395 53.48694       1.656548  55.68408       2.380903  51.42533       2.306304  486.4746 10.40428 467.5002 10.48734 18.97440       14.77273 
1 1 1 -2  6  2  f 1399.896 12.26203 461.1781       8.074717  451.8571       10.16150  477.1481       13.30083  1385.443 15.59194 1423.295 19.86618 -37.85217      25.25418 
1 1 1 -2  6  3  f 534.3251 8.602354 67.16879       2.162182  67.92509       3.357128  66.63269       2.826464  537.2244 13.28442 532.1365 11.29149 5.087891       17.43484 
1 1 1 -2  6  4  o 291.5985 9.849119 20.00618       1.350990  21.29255       1.517454  15.08918       2.966769  300.8172 10.72367 251.7189 25.40268 49.09837       27.57342 
1 1 1 -2  6  5  o 484.9228 8.362336 55.32200       1.907522  52.67698       2.721387  57.87669       2.674510  473.1182 12.22789 495.9361 11.46435 -22.81796      16.76163 
1 1 1 -2  6  6  o 926.3719 12.22565 201.9591       5.327539  201.4341       6.671100  202.8835       8.851759  925.0126 15.33135 928.0157 20.27706 -3.003052      25.42065 
1 1 1 -2  6  7  f 630.0490 9.778963 93.40373       2.898254  92.69427       4.086987  94.12141       4.110616  627.5236 13.84534 632.3369 13.81940 -4.813293      19.56194 
1 1 1 -2  6  8  o 380.9316 10.80123 34.14906       1.935484  33.59236       2.766189  34.68301       2.709080  377.6990 15.56922 383.7974 15.00550 -6.098450      21.62327 
1 1 1 -2  6  9  o 516.8530 10.85128 62.87620       2.638260  58.11077       3.656394  68.05179       3.810500  496.6878 15.64949 537.5249 15.07003 -40.83713      21.72585 
1 1 1 -2  6  10 f 870.6664 13.90152 178.5786       5.693553  170.3924       9.843062  182.6948       6.979705  849.0402 24.64522 880.3168 16.85500 -31.27661      29.85763 
1 1 1 -2  6  11 o 433.5729 12.54499 44.27949       2.558597  41.96900       3.630621  46.55913       3.606306  421.7601 18.29980 444.3026 17.25498 -22.54248      25.15187 
1 1 1 -2  6  12 o 436.6339 13.17090 44.90602       2.705218  45.32753       3.883821  44.50881       3.770220  438.3463 18.83530 434.3954 18.45067 3.950836       26.36657 
1 1 1 -2  6  13 o 846.1859 13.01182 168.5902       5.179323  160.4139       7.046731  178.1970       7.638321  824.9967 18.15792 869.4717 18.67554 -44.47498      26.04776 
1 1 1 -2  6  14 o 787.6500 12.97787 146.0354       4.808458  151.5171       7.046635  141.2587       6.577910  801.9482 18.67954 774.3674 18.05808 27.58081       25.98114 
1 1 1 -2  6  15 o 867.7896 13.54140 177.2594       5.527737  180.9373       8.019318  173.9299       7.630005  876.3803 19.45250 859.2830 18.87641 17.09729       27.10569 
1 1 1 -2  6  16 o 509.3325 16.35894 61.08567       3.919455  60.04757       6.843393  61.59242       4.781339  503.5402 29.01419 511.3013 19.87940 -7.761078      35.17121 
1 1 1 -2  6  17 o 666.5139 14.39703 104.5871       4.513896  99.66772       6.294360  109.7957       6.476773  650.3221 20.57566 682.5912 20.17106 -32.26910      28.81370 
1 1 1 -2  6  18 o 857.5199 14.60475 173.1470       5.891253  175.2917       8.447126  171.1158       8.220476  862.3154 20.82445 852.0112 20.51079 10.30426       29.22927 
1 1 1 -2  6  19 o 329.6338 21.02128 25.72794       3.242578  29.41114       4.791811  22.61667       4.404080  351.5183 29.24437 307.6996 30.84220 43.81876       42.50264 
1 1 1 -2  6  20 o 861.6204 15.38716 174.9018       6.236540  181.1090       9.083695  169.3669       8.577644  876.0100 22.04368 847.2037 21.52340 28.80634       30.80878 
1 1 1 -2  6  21 o 507.9742 17.44009 60.84652       4.167347  60.72855       6.055240  60.95267       5.744099  506.1109 25.51621 507.8319 24.04543 -1.721008      35.06081 
1 1 1 -2  6  22 o 268.6256 29.95061 17.33750       3.720188  18.20155       6.771748  16.96400       4.452223  269.3242 55.30272 264.2625 36.81558 5.061707       66.43627 
1 1 1 -2  6  23 o 190.6794 36.93003 8.990978       3.192807  10.57074       4.691020  7.627569       4.357975  204.7312 49.29902 174.9629 50.28120 29.76825       70.41727 
1 1 1 -2  6  24 o 656.5297 24.23287 102.3990       7.483910  102.3990       7.483910  0.000000       0.000000  656.5297 24.23287 ?        ?        0.000000       24.23287 
1 1 1 -2  6  25 o 181.5217 39.80733 8.305525       3.305483  11.15439       4.758481  5.648915       4.595115  208.4612 49.29985 154.7491 52.71210 53.71202       72.17368 
1 1 1 -2  6  26 o 329.7412 25.07373 26.14578       3.860072  27.52376       5.452142  24.76088       5.465816  334.9459 35.12659 316.6326 37.42042 18.31329       51.32412 
1 1 1 -2  6  27 o 153.5807 42.85633 6.065337       3.213765  9.294753       4.721529  3.277573       4.386808  187.4813 51.81215 130.9552 50.43987 56.52602       72.30960 
1 1 1 -2  6  28 o 90.35322 39.38107 -0.2393206     3.145024  0.5124555      4.452779  -0.9877005     4.442709  111.1087 47.63161 102.4466 45.63112 8.662071       65.96188 
1 1 1 -2  6  29 o 355.0405 23.54058 30.53399       3.909255  25.91210       5.310882  35.99959       5.775316  320.8722 35.79570 380.7697 32.55664 -59.89752      48.38665 
1 1 1 -2  6  30 o 194.4265 43.29309 10.07211       3.857846  3.311116       4.550974  27.33651       7.272352  129.2193 50.91045 318.1616 50.26041 -188.9423      71.54008 
1 1 1 -2  6  31 o 279.1140 29.76093 19.46448       3.847225  21.42602       5.328824  17.32895       5.560141  286.0706 40.75138 251.4338 48.77005 34.63675       63.55465 
1 1 1 -2  6  32 o 99.07341 41.80167 0.9676327      3.336613  -3.173190      4.595695  5.583410       4.852106  91.29052 42.74391 145.4638 53.69106 -54.17326      68.62777 
1 1 1 -2  6  33 o 184.1593 44.98013 9.586453       3.863046  16.52200       6.774247  6.244215       4.702614  227.3855 61.74202 148.1697 53.12038 79.21581       81.44846 
1 1 1 -2  6  34 o 169.5453 51.69307 8.870770       4.496781  0.000000       0.000000  8.870770       4.496781  ?        ?        169.5453 51.69307 0.000000       51.69307 
1 1 1 -2  6  35 o 116.2465 46.74288 3.340612       3.913988  -4.500595      5.360025  12.29786       5.728787  89.84659 43.21194 187.2174 58.56299 -97.37085      72.77978 
1 1 1 -2  6  36 o 92.48129 41.26291 0.4988607      3.649571  7.675387       5.382207  -5.609394      4.965487  145.0385 55.86851 81.02811 39.57454 64.01037       68.46484 
1 1 1 -2  8  1  o 866.5245 9.806477 176.6665       3.997267  184.0787       5.859688  170.2152       5.466727  884.3497 14.08579 850.4147 13.66556 33.93500       19.62541 
1 1 1 -2  8  2  o 540.5334 9.178709 68.74179       2.333853  71.49228       4.003486  67.32590       2.872419  551.0829 15.44372 534.8918 11.41596 16.19104       19.20502 
1 1 1 -2  8  3  o 1167.006 13.82670 320.5565       7.590335  328.4704       9.264600  304.3995       13.23769  1181.127 16.67480 1136.296 24.76575 44.83167       29.85618 
1 1 1 -2  8  4  o 733.9595 10.25414 126.7557       3.540303  118.9503       4.150778  147.5922       6.781757  710.9321 12.41172 791.6291 18.21173 -80.69696      22.03901 
1 1 1 -2  8  5  o 1514.103 17.06859 539.8860       12.15689  532.2996       14.85157  555.2914       21.16367  1502.936 21.00693 1533.650 29.33562 -30.71484      36.08143 
1 1 1 -2  8  6  o 1339.003 13.75225 422.0894       8.662126  415.9672       12.09443  428.5374       12.41193  1328.654 19.35104 1348.552 19.56601 -19.89832      27.51893 
1 1 1 -2  8  7  o 968.2239 13.56743 220.7299       6.179347  211.0795       7.071452  251.9025       12.70932  946.6323 15.88028 1032.818 26.15948 -86.18561      30.60232 
1 1 1 -2  8  8  o 928.0822 11.43853 202.7830       4.993740  197.6200       6.976994  208.2061       7.150637  915.7471 16.19658 939.9573 16.17213 -24.21021      22.88815 
1 1 1 -2  8  9  o 659.3584 12.09325 102.3854       3.750886  102.9429       6.290803  102.0779       4.672259  660.3898 20.25053 658.1329 15.09190 2.256958       25.25568 
1 1 1 -2  8  10 o 293.1024 14.35661 20.24220       1.979432  21.09182       2.919374  19.51924       2.692989  298.1629 20.94749 286.8797 20.08229 11.28317       29.01889 
1 1 1 -2  8  11 o 427.8503 12.68406 43.10521       2.552816  40.04364       3.621303  46.12962       3.599253  412.0956 18.68089 442.3841 17.29592 -30.28851      25.45829 
1 1 1 -2  8  12 o 458.0385 13.03125 49.39095       2.807743  48.90308       3.948755  49.88985       3.993113  455.5591 18.42664 460.1312 18.44848 -4.572174      26.07465 
1 1 1 -2  8  13 o 845.8985 12.80551 168.4201       5.095474  164.9843       7.135622  171.9951       7.278686  836.9185 18.12506 854.5166 18.10769 -17.59808      25.62043 
1 1 1 -2  8  14 o 699.6625 15.38184 115.2485       5.062513  119.4586       6.162545  106.5101       8.878290  712.1797 18.39506 671.8586 28.09196 40.32111       33.57881 
1 1 1 -2  8  15 o 374.6348 18.09280 33.05508       3.188476  30.82640       5.221505  34.38027       4.026331  359.9821 31.14185 381.2659 22.55007 -21.28384      38.44893 
1 1 1 -2  8  16 o 355.4397 17.50973 29.75529       2.927620  27.87976       4.129862  31.64988       4.150776  342.8197 25.79859 365.5521 24.27658 -22.73233      35.42485 
1 1 1 -2  8  17 o 366.8814 21.03898 31.83205       3.615778  41.73603       7.078141  28.33498       4.205971  418.3261 36.33032 345.5324 26.06860 72.79367       44.71537 
1 1 1 -2  8  18 o 626.5667 16.77298 92.48366       4.943641  94.27936       6.347321  89.71463       7.882024  632.3093 21.33986 616.3185 27.18712 15.99072       34.56197 
1 1 1 -2  8  19 o 626.0508 15.46369 92.32877       4.553989  92.56715       6.574382  92.10890       6.314126  626.3293 22.31428 624.8514 21.48162 1.477905       30.97398 
1 1 1 -2  8  20 f 856.5972 18.44601 173.0360       7.432731  180.0913       9.080343  158.7099       12.93925  873.3856 22.10176 817.8746 33.63203 55.51099       40.24427 
1 1 1 -2  8  21 f 481.8414 19.65848 54.80677       4.455776  53.50773       7.868814  55.41991       5.405997  472.8377 35.63956 484.1248 23.73827 -11.28711      42.82154 
1 1 1 -2  8  22 o 278.2646 25.63648 18.50679       3.317982  24.69123       4.934077  13.40151       4.482965  320.2429 33.23757 232.7782 42.50688 87.46461       53.95897 
1 1 1 -2  8  23 o 755.8910 18.90098 135.1185       6.720673  116.0821       11.33168  145.4481       8.347227  696.2065 34.60087 783.3275 22.65320 -87.12091      41.35683 
1 1 1 -2  8  24 f 94.40475 40.88534 -0.2938187     3.346231  0.5909603      4.311145  -1.634661      5.307184  112.6997 47.53141 111.8236 49.83574 0.8760834      68.86825 
1 1 1 -2  8  25 o 519.0411 18.44010 63.87514       4.502299  57.92676       6.215940  70.43999       6.530096  491.3383 26.99762 543.0628 25.56231 -51.72452      37.17934 
1 1 1 -2  8  26 o 791.7302 17.17724 148.7000       6.397346  155.8141       9.086524  141.7077       9.008409  807.2183 23.92971 769.2926 24.89357 37.92572       34.53000 
1 1 1 -2  8  27 o 230.6225 35.83748 13.33925       3.761628  17.39893       6.524099  11.31758       4.603943  254.2014 56.06591 207.3475 48.12881 46.85396       73.89024 
1 1 1 -2  8  28 o 211.5782 35.34093 11.32623       3.393300  11.80340       4.842557  10.86591       4.756308  209.6981 49.82790 200.8469 50.41856 8.851227       70.88618 
1 1 1 -2  8  29 o 162.1995 48.21569 7.049136       3.948740  3.742569       6.687841  8.818773       4.892597  146.6055 60.29534 179.1248 53.76601 -32.51929      80.78560 
1 1 1 -2  8  30 o 192.9339 39.36536 9.752585       3.451676  6.336433       4.733507  13.63175       5.044096  154.7822 53.47358 223.2652 49.34146 -68.48294      72.75990 
1 1 1 -2  8  31 o 279.0959 29.55150 19.47442       3.820721  15.87765       5.243976  23.54417       5.578121  240.5192 48.03059 299.7788 40.60114 -59.25960      62.89189 
1 1 1 -2  8  32 o 131.4811 52.89900 3.691755       5.015956  3.222354       6.611851  4.328181       7.698848  137.3704 58.44283 147.9562 63.00806 -10.58577      85.93940 
1 1 1 -2  8  33 o 194.5532 42.29656 10.52604       3.760496  14.20036       6.340726  8.532450       4.670548  209.9526 60.74154 168.2795 52.91712 41.67310       80.55902 
1 1 1 -2  8  34 f 84.36053 38.07276 -0.6398678     3.206779  -0.8706897     5.290470  -0.5058066     4.031878  103.9089 47.66575 94.26044 42.60188 9.648476       63.92921 
1 1 1 -2  8  35 o 105.0888 44.60414 1.964792       3.835350  -5.469679      5.197073  10.85612       5.683517  85.08778 41.31496 173.6325 58.62590 -88.54475      71.72114 
1 1 1 -2  8  36 o 190.5233 45.36181 11.48960       4.007005  6.739002       5.225488  18.26992       6.242774  137.2641 54.40239 221.4854 58.89854 -84.22136      80.17891 
1 1 1 -2  10 1  o 418.8029 8.602429 41.26869       1.694728  40.96357       2.370538  41.58766       2.423763  417.1761 12.07976 420.3374 12.25809 -3.161285      17.20992 
1 1 1 -2  10 2  f 661.3693 8.905266 102.9220       2.770513  102.9378       3.914202  102.9061       3.922004  661.2829 12.58307 661.1799 12.61011 0.1029663      17.81428 
1 1 1 -2  10 3  o 1005.751 12.94873 238.1410       6.126139  237.7607       7.319215  239.0309       11.19518  1004.741 15.48606 1006.509 23.64527 -1.767700      28.26512 
1 1 1 -2  10 4  o 879.2548 10.09078 181.9493       4.173580  180.3363       4.619173  189.1201       9.739609  875.2820 11.21881 895.1808 23.12924 -19.89880      25.70649 
1 1 1 -2  10 5  o 1513.240 15.10967 539.4792       10.75554  522.2515       14.53125  560.3530       15.99517  1487.789 20.76311 1540.793 22.06862 -53.00452      30.30067 
1 1 1 -2  10 6  o 422.9283 8.457390 42.09439       1.682567  44.56125       2.620939  40.36499       2.194475  434.9816 12.80904 414.0567 11.26682 20.92490       17.05910 
1 1 1 -2  10 7  o 156.4162 13.53841 5.806347       0.9863140 5.990650       1.777593  5.724366       1.185553  157.2960 24.84931 154.9560 16.51926 2.339966       29.83913 
1 1 1 -2  10 8  o 291.0683 18.05119 20.05379       2.459363  17.98454       2.868023  25.80262       4.780429  275.0835 22.35748 328.4951 31.31552 -53.41156      38.47750 
1 1 1 -2  10 9  o 111.2985 27.38269 3.044550       1.423803  5.899924       2.258944  1.162498       1.833959  155.0308 32.03495 85.29488 32.67244 69.73589       45.75726 
1 1 1 -2  10 10 o 437.7174 12.91798 45.10387       2.659853  58.50179       5.056176  39.97746       3.127593  498.1104 21.57880 411.9895 16.13819 86.12094       26.94598 
1 1 1 -2  10 11 o 395.4164 17.45444 36.82365       3.246608  32.19382       5.590591  39.17955       3.987981  367.6829 32.66338 407.2198 20.88906 -39.53690      38.77176 
1 1 1 -2  10 12 f 840.7758 12.40669 166.3655       4.906881  161.7190       6.865278  171.2182       7.015932  828.6962 17.61138 852.6944 17.49132 -23.99817      24.82150 
1 1 1 -2  10 13 o 167.5111 26.87192 6.783283       2.045859  1.686333       2.853613  12.17383       2.934650  105.2233 40.63872 225.4073 28.30092 -120.1839      49.52220 
1 1 1 -2  10 14 o 883.0936 13.26902 183.5510       5.512071  182.4683       7.850183  184.6039       7.741445  880.1647 18.96036 885.3249 18.58874 -5.160217      26.55253 
1 1 1 -2  10 15 o 535.5489 13.98008 67.51606       3.521908  69.17194       5.140947  66.05163       4.834616  541.8273 20.17033 529.5001 19.41005 12.32715       27.99271 
1 1 1 -2  10 16 o 499.6239 14.90077 58.77501       3.502041  60.28713       5.168050  57.49112       4.762089  505.7043 21.72505 493.9001 20.49694 11.80411       29.86808 
1 1 1 -2  10 17 o 146.9780 39.73186 5.295417       2.812654  8.328612       3.805786  1.644768       4.175219  183.5624 44.53018 120.4023 48.32561 63.16019       65.71379 
1 1 1 -2  10 18 o 1070.953 15.22260 270.1550       7.668819  261.7657       10.70363  279.0038       10.99285  1053.416 21.60041 1087.565 21.48749 -34.14905      30.46786 
1 1 1 -2  10 19 o 276.7180 23.72215 18.21634       3.058030  18.22260       4.515567  18.21104       4.156168  274.8024 35.78043 275.2737 32.73865 -0.4712830     48.49803 
1 1 1 -2  10 20 o 1031.114 15.63692 250.6135       7.584505  234.3752       10.37928  269.2193       11.11020  996.0529 22.15214 1067.535 22.12435 -71.48187      31.30821 
1 1 1 -2  10 21 o 469.4902 22.04418 52.12538       4.868440  49.00031       5.684060  60.73128       9.432500  453.8515 26.74231 502.0772 40.27711 -48.22565      48.34664 
1 1 1 -2  10 22 o 170.2398 39.04861 7.231691       3.060535  5.325394       4.480099  8.899793       4.190864  152.6976 52.04806 187.9826 47.40262 -35.28496      70.39893 
1 1 1 -2  10 23 o 475.0165 20.46315 53.46346       4.572465  53.01612       5.856788  54.16172       7.317225  471.1298 26.53514 474.2500 33.00539 -3.120178      42.34937 
1 1 1 -2  10 24 o 464.6464 21.88029 51.30703       4.782389  47.77052       8.687093  52.84492       5.728617  440.3347 42.46592 469.8730 26.01937 -29.53833      49.80323 
1 1 1 -2  10 25 o 144.6309 42.52888 5.262805       3.085958  2.535552       4.414450  7.869330       4.315636  126.4534 50.03906 174.7254 49.98372 -48.27200      70.72679 
1 1 1 -2  10 26 o 328.2617 23.51398 25.91839       3.606861  25.77985       5.252143  26.04205       4.961960  323.0631 35.12655 325.6858 32.83615 -2.622681      48.08417 
1 1 1 -2  10 27 o 272.3315 33.86295 18.44222       4.244358  16.65543       5.014265  22.95779       7.971259  254.2867 43.48178 289.0026 60.57232 -34.71593      74.56319 
1 1 1 -2  10 28 o 254.3786 30.65207 16.03994       3.593968  16.52265       5.172106  15.58924       4.997659  251.0173 45.47651 243.7908 45.24510 7.226501       64.15007 
1 1 1 -2  10 29 o 332.0631 27.88716 27.08203       4.315727  25.23081       5.392475  30.38050       7.198062  315.4419 37.04651 340.0533 46.19428 -24.61139      59.21449 
1 1 1 -2  10 30 o 364.5671 24.61407 32.43491       4.196424  32.11856       5.772725  32.78943       6.110990  356.4233 34.87762 358.8279 36.72129 -2.404572      50.64486 
1 1 1 -2  10 31 o 103.3326 42.02773 1.629494       3.204299  -0.5291737     4.605263  3.655303       4.461293  103.9015 46.35553 129.3793 50.57677 -25.47777      68.60645 
1 1 1 -2  10 32 o 157.2819 63.13701 6.691440       7.127885  0.000000       0.000000  6.691440       7.127885  ?        ?        157.2819 63.13701 0.000000       63.13701 
1 1 1 -2  10 33 f 281.9716 30.19066 20.40194       3.942254  17.83888       6.681149  21.77095       4.882882  235.6821 60.08260 285.4412 37.25395 -49.75909      70.69495 
1 1 1 -2  10 34 o 380.6183 28.95861 37.33908       5.145961  28.84364       6.677551  49.76219       8.074941  313.8662 46.64611 421.6076 41.24390 -107.7414      62.26491 
1 1 1 -2  10 35 o 90.85674 43.31076 -3.136148      5.128238  0.000000       0.000000  -3.136148      5.128238  ?        ?        90.85674 43.31076 0.000000       43.31076 
1 1 1 -2  12 1  o 218.2689 14.55067 11.27344       1.485416  8.091558       2.598523  12.81785       1.810367  182.2439 31.44763 232.6033 16.65579 -50.35947      35.58608 
1 1 1 -2  12 2  o 503.0930 8.794485 59.56561       2.081268  61.93824       3.010511  57.39347       2.880507  512.8595 12.47879 493.6890 12.40356 19.17053       17.59455 
1 1 1 -2  12 3  o 167.5730 12.96073 6.652447       1.013708  6.122091       1.481839  7.118957       1.389784  159.8382 20.15660 172.9212 17.31838 -13.08305      26.57470 
1 1 1 -2  12 4  o 845.8952 11.09755 168.4435       4.415835  168.4435       4.415835  0.000000       0.000000  845.8952 11.09755 ?        ?        0.000000       11.09755 
1 1 1 -2  12 5  o 395.0323 8.389797 36.72036       1.559026  36.57917       1.647431  37.93104       4.824018  394.2610 8.882888 399.8856 25.78246 -5.624603      27.26978 
1 1 1 -2  12 6  o 680.2426 13.44513 108.9503       4.302274  108.9503       4.302274  0.000000       0.000000  680.2426 13.44513 ?        ?        0.000000       13.44513 
1 1 1 -2  12 7  o 543.1069 9.144001 69.40495       2.336097  67.35200       3.443003  71.15637       3.180115  534.8765 13.68405 549.8245 12.29559 -14.94800      18.39660 
1 1 1 -2  12 8  o 1368.140 14.33525 440.6374       9.225825  437.5443       13.07474  443.7046       13.02001  1362.718 20.39660 1372.304 20.16933 -9.586426      28.68490 
1 1 1 -2  12 9  o 857.3019 11.21495 172.9482       4.522727  176.4517       6.675910  169.9763       6.148763  865.7048 16.39349 849.7237 15.38299 15.98114       22.48072 
1 1 1 -2  12 10 o 548.3411 10.88185 70.74995       2.806873  71.87708       4.230091  69.86329       3.751838  552.5460 16.27466 544.8002 14.63988 7.745789       21.89042 
1 1 1 -2  12 11 o 364.7008 12.98209 31.30214       2.227155  28.04981       3.339990  33.90608       2.988574  344.4553 20.70931 379.4914 16.74143 -35.03610      26.62989 
1 1 1 -2  12 12 o 958.1794 15.09866 216.1216       6.805415  207.9667       12.36486  219.6654       8.151058  938.9662 27.99432 965.8359 17.94078 -26.86969      33.24986 
1 1 1 -2  12 13 o 374.5939 14.39109 33.03082       2.535850  31.50079       3.706910  34.37665       3.476624  364.9826 21.68841 381.5258 19.43594 -16.54327      29.12289 
1 1 1 -2  12 14 o 802.7701 13.23854 151.6891       4.999200  147.3989       7.239944  155.5987       6.911368  790.9850 19.45798 812.7805 18.07680 -21.79541      26.55905 
1 1 1 -2  12 15 o 162.4204 40.58596 6.498802       3.092126  3.548055       3.476616  17.66944       6.764409  130.2353 45.77999 267.2862 55.61092 -137.0509      72.03043 
1 1 1 -2  12 16 o 609.8090 14.16614 87.55958       4.063634  86.24062       5.856995  88.78378       5.642687  604.8300 20.58601 613.7531 19.54443 -8.923157      28.38606 
1 1 1 -2  12 17 o 481.9975 17.28562 54.74487       3.919215  45.65993       6.322824  60.41340       4.994421  438.2260 30.86938 506.1128 20.97821 -67.88678      37.32297 
1 1 1 -2  12 18 o 226.6679 29.10609 12.35556       3.031740  8.350360       4.047306  17.47622       4.576322  183.4706 46.75858 268.7515 37.19616 -85.28082      59.74880 
1 1 1 -2  12 19 o 206.5278 29.68401 10.31278       2.800954  5.572046       4.047485  14.66953       3.880109  153.8802 49.35880 246.1312 34.45710 -92.25099      60.19620 
1 1 1 -2  12 20 o 475.3794 18.91396 53.36234       4.229531  54.54816       7.299920  52.76310       5.189307  477.6906 32.68278 472.2139 23.36153 5.476715       40.17369 
1 1 1 -2  12 21 o 304.9691 22.56275 22.14566       3.213836  20.56218       4.736292  23.49692       4.375249  291.1821 35.29982 312.7440 30.11242 -21.56186      46.39866 
1 1 1 -2  12 22 o 87.32825 37.72706 -0.2395690     2.835091  -4.195345      4.104431  3.370024       3.920724  85.08213 40.01457 130.5096 48.24526 -45.42742      62.67991 
1 1 1 -2  12 23 o 780.1890 16.09592 143.9284       5.907243  132.6647       8.199186  156.0855       8.518148  746.8605 23.33791 810.4832 22.34251 -63.62268      32.30860 
1 1 1 -2  12 24 o 382.1130 20.76354 34.80914       3.718168  35.63045       5.519157  34.12664       5.031218  383.5500 30.85111 376.0657 28.65638 7.484222       42.10675 
1 1 1 -2  12 25 o 448.1850 19.05019 47.75760       4.016298  46.71218       5.812732  48.71264       5.555783  439.5885 28.26002 449.7126 26.37823 -10.12408      38.65798 
1 1 1 -2  12 26 o 332.1298 23.31914 26.56430       3.620163  27.02697       5.281583  26.15432       4.971815  330.5655 34.47258 325.8470 32.88622 4.718475       47.64307 
1 1 1 -2  12 27 o 302.7092 40.44447 23.28835       5.615074  23.09156       7.709254  23.51070       8.194796  290.3344 58.46972 290.6476 61.83835 -0.3132324     85.10399 
1 1 1 -2  12 28 o 96.05904 41.66064 -0.5209988E-02 3.484181  3.920292       4.585785  -5.365637      5.358779  135.4420 51.71628 94.24751 44.73952 41.19453       68.38274 
1 1 1 -2  12 29 o 226.6372 33.26424 12.97468       3.440786  17.07545       5.008727  9.310138       4.734829  255.0658 43.29301 183.4973 52.30729 71.56847       67.89947 
1 1 1 -2  12 30 o 116.4462 43.53389 3.001757       3.210129  0.3888503E-01  4.566852  5.895471       4.513238  107.2415 47.07866 149.4159 52.18072 -42.17439      70.27964 
1 1 1 -2  12 31 o 73.35952 34.95242 -3.612328      3.331099  -7.755649      5.959339  -1.729449      4.017306  91.26632 44.29800 90.93621 41.64901 0.3301086      60.80257 
1 1 1 -2  12 32 o 126.2874 44.73576 4.176881       3.325719  9.244947       5.768195  1.653212       4.070381  172.6350 59.05722 109.7247 46.22598 62.91028       74.99731 
1 1 1 -2  12 33 o 122.6215 51.68201 2.949465       5.091550  2.949465       5.091550  0.000000       0.000000  122.6215 51.68201 ?        ?        0.000000       51.68201 
1 1 1 -2  12 34 o 102.5253 43.39946 1.715208       3.615445  3.174792       5.031538  0.1571047      5.198574  120.3297 51.08162 105.7481 48.02594 14.58158       70.11293 
1 1 1 -2  14 1  o 594.1487 9.310963 83.05751       2.602310  90.73483       3.855407  76.63264       3.526935  620.8939 13.20029 570.6089 13.13982 50.28497       18.62532 
1 1 1 -2  14 2  o 432.3340 13.46406 43.99306       2.738198  43.99306       2.738198  0.000000       0.000000  432.3340 13.46406 ?        ?        0.000000       13.46406 
1 1 1 -2  14 3  o 1419.369 14.38812 474.2048       9.606576  482.6018       13.82507  466.3651       13.35844  1431.306 20.53362 1407.060 20.18244 24.24585       28.79168 
1 1 1 -2  14 4  o 1125.557 12.25918 298.1324       6.490799  308.9766       7.561804  267.7765       12.65172  1145.748 14.03030 1065.784 25.23545 79.96460       28.87346 
1 1 1 -2  14 5  o 666.2978 9.196549 104.4485       2.882455  103.6827       3.118118  108.9477       7.558105  663.8335 9.985369 679.9446 23.63034 -16.11115      25.65347 
1 1 1 -2  14 6  o 688.9773 9.684173 111.6824       3.138605  112.0769       3.427185  109.6314       7.814443  690.1728 10.55627 682.0548 24.35620 8.117981       26.54542 
1 1 1 -2  14 7  o 651.4385 15.97994 99.89608       4.896863  0.000000       0.000000  99.89608       4.896863  ?        ?        651.4385 15.97994 0.000000       15.97994 
1 1 1 -2  14 8  o 955.0953 11.53666 214.6458       5.183179  207.0574       7.218079  222.7244       7.447550  937.8533 16.36128 972.6923 16.27679 -34.83899      23.07868 
1 1 1 -2  14 9  o 918.8947 14.36918 198.7342       6.211080  193.5454       7.213145  213.6148       12.21516  906.6981 16.91191 951.8143 27.28210 -45.11621      32.09869 
1 1 1 -2  14 10 o 712.2134 10.82400 119.3550       3.626330  117.3251       5.355842  121.0733       4.927681  705.9514 16.12811 717.1990 14.60608 -11.24762      21.75899 
1 1 1 -2  14 11 o 558.6370 10.93936 73.43400       2.874691  77.05575       4.555676  71.03778       3.705587  572.0650 16.92927 549.3569 14.33947 22.70807       22.18604 
1 1 1 -2  14 12 o 484.2021 11.89978 55.17556       2.710409  55.93521       4.137750  54.60464       3.587140  487.3385 18.04946 481.5819 15.83467 5.756592       24.01082 
1 1 1 -2  14 13 o 1640.104 19.75803 633.7960       15.24348  590.3687       24.06754  662.8865       19.69811  1580.568 32.37048 1676.435 24.97863 -95.86707      40.88741 
1 1 1 -2  14 14 o 314.4987 17.02885 23.36559       2.509877  16.95705       3.607970  29.37492       3.493788  266.3478 29.28014 352.3723 21.17610 -86.02454      36.13522 
1 1 1 -2  14 15 o 926.2807 13.68449 202.0160       5.962668  202.5685       8.621304  201.5093       8.255555  927.0117 19.77053 924.6652 18.97984 2.346558       27.40635 
1 1 1 -2  14 16 o 240.0008 34.48900 13.92540       3.781832  13.92540       3.781832  0.000000       0.000000  240.0008 34.48900 ?        ?        0.000000       34.48900 
1 1 1 -2  14 17 o 707.7820 14.09342 118.0051       4.692294  113.8842       6.583721  122.2593       6.689352  694.7619 20.14495 719.8984 19.75348 -25.13654      28.21380 
1 1 1 -2  14 18 o 800.8007 14.56574 151.1271       5.486892  147.3477       7.689352  155.0480       7.831886  789.9340 20.69329 810.3346 20.54626 -20.40063      29.16095 
1 1 1 -2  14 19 o 792.1276 20.57941 148.2908       7.668268  0.000000       0.000000  148.2908       7.668268  ?        ?        792.1276 20.57941 0.000000       20.57941 
1 1 1 -2  14 20 o 632.6967 15.38035 94.46127       4.577529  88.65957       6.382828  100.6052       6.568367  611.8800 22.17571 651.9473 21.41784 -40.06732      30.82995 
1 1 1 -2  14 21 f 398.2412 23.59422 37.77847       4.400288  38.85506       5.172459  34.95839       8.371495  403.0081 27.44784 375.4476 48.53699 27.56049       55.76041 
1 1 1 -2  14 22 o 82.69517 39.22387 -4.736223      4.102821  -4.736223      4.102821  0.000000       0.000000  82.69517 39.22387 ?        ?        0.000000       39.22387 
1 1 1 -2  14 23 o 454.0011 17.99243 48.85736       3.842519  50.72023       5.682465  47.28793       5.215767  459.8155 26.38181 444.3640 25.05447 15.45142       36.38306 
1 1 1 -2  14 24 o 394.7039 19.45186 37.03908       3.611618  32.71766       5.074832  41.47394       5.141008  367.2808 29.62543 414.9870 26.47373 -47.70624      39.73064 
1 1 1 -2  14 25 o 437.6218 26.24954 46.23065       5.378719  0.000000       0.000000  46.23065       5.378719  ?        ?        437.6218 26.24954 0.000000       26.24954 
1 1 1 -2  14 26 o 328.0490 25.38158 26.06895       3.886279  25.07483       5.042185  27.52378       6.099625  317.9629 34.25167 330.2586 40.08414 -12.29572      52.72490 
1 1 1 -2  14 27 f 370.3197 21.48431 32.97947       3.726466  33.93585       5.286974  32.03526       5.253224  371.5913 30.51580 360.5802 31.28090 11.01111       43.70022 
1 1 1 -2  14 28 o 161.6763 47.04302 6.976439       3.793554  6.432630       4.427521  8.478004       7.357148  156.4345 51.72523 178.6443 66.07873 -22.20982      83.91602 
1 1 1 -2  14 29 f 93.84193 39.66325 0.6185682      3.012376  2.751099       4.316506  -1.406105      4.205930  123.1169 49.23488 96.07245 43.45797 27.04449       65.67091 
1 1 1 -2  14 30 o 92.14874 40.34604 -0.9541627E-01 3.334502  0.7152200      5.431676  -0.5856950     4.224180  118.1993 51.62930 99.70374 44.44575 18.49554       68.12495 
1 1 1 -2  14 31 o 79.97790 38.04707 -3.870317      3.915679  0.000000       0.000000  -3.870317      3.915679  ?        ?        79.97790 38.04707 0.000000       38.04707 
1 1 1 -2  14 32 o 189.6580 37.60154 9.740938       3.236123  14.60167       5.324130  6.892988       4.075344  220.9357 52.07937 153.2154 49.56864 67.72021       71.89792 
1 1 1 -2  14 33 o 65.42482 31.99299 -5.124569      3.274981  -4.976219      4.311139  -5.326992      5.035910  78.85194 38.12642 85.43964 41.28544 -6.587708      56.19707 
1 1 1 -2  16 1  o 572.2294 11.02145 77.04364       2.966731  85.49347       5.271993  73.12782       3.588912  602.5919 18.59868 557.4431 13.68652 45.14874       23.09181 
1 1 1 -2  16 2  o 558.0457 9.471428 73.26481       2.486306  76.04945       3.558395  70.60853       3.475408  568.4776 13.30674 547.7605 13.48794 20.71710       18.94713 
1 1 1 -2  16 3  o 1092.173 16.97339 280.8022       8.720257  280.8022       8.720257  0.000000       0.000000  1092.173 16.97339 ?        ?        0.000000       16.97339 
1 1 1 -2  16 4  o 1194.325 15.12705 335.7301       8.498577  341.9111       10.33595  322.8300       14.93208  1205.077 18.23335 1170.242 27.12534 34.83459       32.68393 
1 1 1 -2  16 5  o 894.1721 10.58702 188.1203       4.453117  185.1861       4.856195  203.6266       11.16367  887.1385 11.63685 929.5013 25.53216 -42.36285      28.05900 
1 1 1 -2  16 6  o 1676.133 23.70396 661.9973       18.68954  671.2247       25.67991  651.6053       27.25212  1686.433 32.37093 1661.146 34.87572 25.28699       47.58353 
1 1 1 -2  16 7  o 604.6543 9.712867 86.01894       2.762637  87.78233       2.996150  76.01071       7.137840  610.8055 10.42777 567.7885 26.72458 43.01703       28.68696 
1 1 1 -2  16 8  o 1231.790 13.47906 357.1061       7.810261  357.5123       8.758367  355.5292       17.25905  1232.387 15.10800 1227.492 29.89022 4.895020       33.49144 
1 1 1 -2  16 9  o 855.5546 12.85555 172.2701       5.173776  176.7866       6.751427  165.8443       8.053132  866.5159 16.56341 839.0427 20.40382 27.47327       26.28045 
1 1 1 -2  16 10 f 1834.431 21.67540 793.0147       18.70414  772.3032       21.92448  848.3948       35.85093  1809.598 25.75597 1892.932 40.26206 -83.33447      47.79543 
1 1 1 -2  16 11 o 626.2259 10.67734 92.28313       3.145310  101.6632       5.204895  86.88732       3.947636  657.0334 16.84051 607.5383 13.81320 49.49512       21.78089 
1 1 1 -2  16 12 o 1223.455 14.24915 352.4093       8.200612  335.8590       11.32998  370.6200       11.88474  1193.785 20.17593 1254.045 20.14684 -60.26050      28.51252 
1 1 1 -2  16 13 o 851.1369 12.46452 170.5322       4.990500  160.0993       7.080366  180.8323       7.035119  824.2897 18.26024 876.1389 17.06983 -51.84918      24.99631 
1 1 1 -2  16 14 f 608.9284 12.46559 87.29498       3.570660  82.41109       5.241114  91.52521       4.877792  591.2847 18.84333 623.2741 16.63700 -31.98944      25.13684 
1 1 1 -2  16 15 o 505.3871 20.90971 60.26253       4.970973  60.26253       4.970973  0.000000       0.000000  505.3871 20.90971 ?        ?        0.000000       20.90971 
1 1 1 -2  16 16 o 825.1480 16.09332 160.4933       6.246644  156.1237       11.91587  162.1492       7.335381  811.3819 31.21987 829.0611 18.80905 -17.67920      36.44806 
1 1 1 -2  16 17 o 242.4212 29.95070 14.15406       3.342811  13.62203       3.706722  16.47146       7.736136  236.8885 34.25922 254.4881 64.53073 -17.59955      73.06100 
1 1 1 -2  16 18 o 343.6778 17.92149 27.96429       2.887274  28.78510       4.366179  27.32643       3.848991  347.2874 26.93733 338.7856 24.31367 8.501831       36.28738 
1 1 1 -2  16 19 o 407.5042 17.18435 39.22507       3.294082  32.22268       4.686234  46.06432       4.631323  367.1659 27.32836 440.3832 22.43084 -73.21729      35.35508 
1 1 1 -2  16 20 o 152.0524 42.80620 5.767677       3.191518  -0.7146255     6.937085  7.508109       3.594519  133.5356 58.33706 172.5546 44.11379 -39.01894      73.13850 
1 1 1 -2  16 21 o 554.5875 17.66658 72.80011       4.608843  63.36655       5.799363  88.97147       7.593044  516.0601 23.88970 610.7130 26.43075 -94.65295      35.62727 
1 1 1 -2  16 22 o 344.7876 28.12994 28.66840       4.522602  0.000000       0.000000  28.66840       4.522602  ?        ?        344.7876 28.12994 0.000000       28.12994 
1 1 1 -2  16 23 o 107.2449 43.17004 1.510180       3.342449  -0.4386552     3.844245  7.547564       6.766248  99.44194 43.43536 177.3763 63.70501 -77.93434      77.10355 
1 1 1 -2  16 24 o 479.7666 19.67390 54.80704       4.440069  51.60524       7.373916  56.62817       5.561231  458.6621 34.42835 485.4928 24.42920 -26.83066      42.21490 
1 1 1 -2  16 25 o 488.1180 17.77139 56.66813       4.080519  46.90086       5.619656  67.56113       5.934673  439.9849 27.28664 530.6494 23.77496 -90.66449      36.19129 
1 1 1 -2  16 26 o 273.4200 29.44656 18.36681       3.727600  22.33651       6.987597  16.78775       4.407054  289.2127 53.32663 257.9581 37.41013 31.25464       65.14021 
1 1 1 -2  16 27 o 306.9859 23.79702 22.84265       3.409600  22.37665       4.865372  23.29237       4.779576  298.6341 35.31833 305.5199 33.82433 -6.885803      48.90266 
1 1 1 -2  16 28 o 259.2731 28.15936 16.60797       3.379173  16.07049       4.759683  17.15421       4.798295  247.8827 42.33932 256.9956 41.07409 -9.112915      58.98898 
1 1 1 -2  16 29 o 112.1364 44.52482 2.274132       3.506145  3.527696       4.267241  -0.3305589     6.151092  128.0873 49.63216 119.8722 53.52042 8.215073       72.99168 
1 1 1 -2  16 30 o 208.5856 34.83595 11.30336       3.297522  14.51546       5.648521  9.642703       4.061445  223.2081 54.31285 185.8129 46.56042 37.39520       71.53851 
1 1 1 -2  16 31 o 119.4759 41.75446 3.687085       2.890086  1.869203       4.707107  4.787038       3.661494  115.9938 49.32898 133.1902 46.96564 -17.19635      68.11108 
1 1 1 -2  16 32 o 82.75943 37.89030 -1.232338      3.320780  -6.108799      4.639984  3.888229       4.754700  79.62822 38.75015 126.9638 51.35453 -47.33556      64.33398 
1 1 1 -2  18 1  f 925.8624 11.19415 201.7052       4.875363  213.2097       7.157535  191.7475       6.659033  951.6892 15.98818 902.5342 15.68477 49.15503       22.39719 
1 1 1 -2  18 2  o 557.2851 10.93567 73.07567       2.866765  76.89857       3.723198  67.50893       4.492832  571.6055 13.84683 535.4556 17.83723 36.14984       22.58100 
1 1 1 -2  18 3  o 1126.117 12.39297 298.4283       6.564899  320.8009       9.925853  281.0316       8.752747  1167.211 18.07795 1092.539 17.03091 74.67175       24.83675 
1 1 1 -2  18 4  o 1127.077 14.79819 299.0122       7.845698  307.7699       9.575505  281.1237       13.68533  1143.261 17.80520 1091.879 26.64475 51.38269       32.04634 
1 1 1 -2  18 5  o 693.1425 12.09391 113.0632       3.943287  117.8049       4.606470  100.0595       7.628392  707.4682 13.84178 651.4905 24.89176 55.97772       28.48148 
1 1 1 -2  18 6  o 443.1573 19.73417 46.26077       4.113826  54.96433       5.866799  37.84186       5.770064  482.0886 25.96626 399.1798 30.97107 82.90875       40.41600 
1 1 1 -2  18 7  o 1310.179 21.70647 404.5192       13.37794  410.2260       19.01845  398.9299       18.82161  1318.122 30.67256 1299.830 30.78230 18.29272       43.45522 
1 1 1 -2  18 8  o 1027.175 14.51796 248.3858       7.014864  246.6739       8.046944  253.8050       14.31710  1023.476 16.71414 1036.851 29.35414 -13.37494      33.77910 
1 1 1 -2  18 9  o 1313.210 31.93075 407.5506       19.72480  0.000000       0.000000  407.5506       19.72480  ?        ?        1313.210 31.93075 0.000000       31.93075 
1 1 1 -2  18 10 o 1316.884 20.47675 408.7549       12.68463  408.7549       12.68463  0.000000       0.000000  1316.884 20.47675 ?        ?        0.000000       20.47675 
1 1 1 -2  18 11 o 740.3151 14.37036 129.0560       5.004419  125.0350       5.651188  143.6683       10.77283  728.5566 16.48949 779.6617 29.37339 -51.10504      33.68530 
1 1 1 -2  18 12 o 407.8520 11.02763 39.15429       2.115700  36.72165       3.620415  40.41587       2.607212  394.6556 19.50162 414.2953 13.37818 -19.63965      23.64929 
1 1 1 -2  18 13 o 684.3952 11.57468 110.2745       3.726364  105.7763       5.708722  113.6141       4.918811  669.8196 18.11806 694.4475 15.05745 -24.62793      23.55825 
1 1 1 -2  18 14 o 1001.574 15.70591 236.4340       7.399722  219.3222       13.91350  243.1831       8.737976  961.8176 30.75206 1015.392 18.29397 -53.57397      35.78210 
1 1 1 -2  18 15 o 660.1099 12.56449 102.6470       3.901490  92.22451       5.717334  111.7301       5.337328  625.0235 19.44590 688.3117 16.48426 -63.28821      25.49262 
1 1 1 -2  18 16 o 395.7947 14.23675 36.93111       2.650636  40.35478       4.320975  34.86547       3.356317  412.4351 22.35537 384.2529 18.56849 28.18219       29.06117 
1 1 1 -2  18 17 o 184.4277 25.65553 8.221377       2.165468  9.889490       3.436159  7.122437       2.788995  199.9944 37.91216 169.4360 36.09743 30.55841       52.34841 
1 1 1 -2  18 18 o 375.3697 16.27612 33.27742       2.873952  34.15948       4.468125  32.65498       3.753425  378.4022 25.24658 370.6426 21.62183 7.759521       33.23994 
1 1 1 -2  18 19 o 600.4837 14.44941 85.13065       4.081508  77.66745       5.800476  92.44969       5.744183  572.2368 21.54857 624.7861 19.54464 -52.54932      29.09182 
1 1 1 -2  18 20 o 91.11440 36.86921 0.9234827      2.451800  2.295792       3.685156  -0.1664017     3.284129  118.3405 46.04848 94.24160 40.65955 24.09895       61.43014 
1 1 1 -2  18 21 o 422.1920 17.01081 42.21922       3.378348  40.95287       4.901494  43.36526       4.662846  413.3160 25.33245 425.9516 23.36050 -12.63562      34.45934 
1 1 1 -2  18 22 o 231.9810 25.64077 13.03518       2.751256  9.319051       4.061379  16.18673       3.740167  190.0060 45.94453 257.0440 31.59782 -67.03795      55.76129 
1 1 1 -2  18 23 o 519.0447 16.61598 63.90449       4.056954  56.64856       5.787557  70.91423       5.688523  485.3202 25.43971 544.9720 22.18994 -59.65182      33.75755 
1 1 1 -2  18 24 f 113.4502 39.77903 2.903396       2.624118  1.570332       3.808647  4.108082       3.620615  112.2164 45.75065 132.9865 46.72006 -20.77005      65.39026 
1 1 1 -2  18 25 o 309.7614 22.24566 23.09567       3.219882  26.90790       4.838572  20.06566       4.313695  330.8551 31.46824 284.7791 32.80062 46.07602       45.45472 
1 1 1 -2  18 26 o 188.8756 36.58949 9.116692       3.133464  8.563153       4.094699  9.898931       4.867634  179.1847 47.72526 190.9906 52.53624 -11.80591      70.97716 
1 1 1 -2  18 27 o 259.0315 26.43561 16.46003       3.176008  19.32965       4.655530  13.96189       4.343765  275.9282 36.78394 231.6109 41.38814 44.31729       55.37180 
1 1 1 -2  18 28 o 214.8130 29.28233 11.54460       2.881842  10.97469       4.049792  12.12924       4.101786  202.3671 43.81245 213.8604 42.27150 -11.49333      60.88030 
1 1 1 -2  18 29 o 207.5442 33.35676 11.07248       3.146287  5.166469       4.724761  15.77814       4.217384  142.4044 52.89815 245.8615 37.66569 -103.4571      64.93780 
1 1 1 -2  18 30 o 179.3571 37.52678 8.620722       3.064427  3.234245       4.704921  12.58939       4.038519  125.5683 50.98167 215.1098 41.41380 -89.54156      65.68283 
1 1 1 -2  18 31 o 70.89603 33.79888 -3.225028      3.124643  -6.227705      4.298807  0.1383472      4.549683  75.77421 36.96729 103.6105 46.16134 -27.83632      59.13924 
1 1 1 -2  20 1  o 345.9034 11.70872 28.15810       1.905169  31.28539       2.678015  24.95348       2.710920  364.5231 15.61775 325.0160 17.79904 39.50708       23.67953 
1 1 1 -2  20 2  o 336.2168 18.86815 26.71219       2.972072  30.32105       3.919209  21.82818       4.559334  357.8628 23.41061 302.2169 32.58652 55.64584       40.12403 
1 1 1 -2  20 3  o 882.9347 12.95922 183.4931       5.382411  197.6814       10.26204  178.1087       6.321746  915.6240 23.82578 869.7474 15.45164 45.87653       28.39755 
1 1 1 -2  20 4  o 2032.944 17.57573 973.4288       16.80769  997.2186       22.20267  941.4960       25.72341  2056.611 22.95005 1997.309 27.37878 59.30249       35.72537 
1 1 1 -2  20 5  o 921.7761 15.74723 200.0804       6.828086  193.8169       8.261133  213.5850       12.13039  906.9586 19.36345 951.2717 27.10822 -44.31311      33.31365 
1 1 1 -2  20 6  o 1878.892 27.33697 833.4523       24.16136  871.5815       35.58285  800.8324       32.91190  1917.487 39.44927 1838.514 38.05544 78.97327       54.81296 
1 1 1 -2  20 7  o 429.4820 22.06550 43.61168       4.442822  38.61475       5.840237  50.47563       6.844873  402.9645 31.04942 460.9271 31.76310 -57.96259      44.41803 
1 1 1 -2  20 8  o 651.3723 20.11818 100.0284       6.164351  99.79192       8.451094  100.2973       9.011260  649.9218 27.64283 651.3745 29.40935 -1.452698      40.36132 
1 1 1 -2  20 9  o 380.6960 25.07962 34.37165       4.466110  40.36861       6.428061  28.77527       6.209666  411.4769 33.50055 346.0042 38.82169 65.47275       51.27778 
1 1 1 -2  20 10 o 923.8575 11.78722 200.9459       5.122542  201.3746       5.588509  198.6920       12.81409  924.7566 12.84693 916.2356 29.73112 8.520996       32.38801 
1 1 1 -2  20 11 o 849.6837 30.22449 171.0464       12.08052  0.000000       0.000000  171.0464       12.08052  ?        ?        849.6837 30.22449 0.000000       30.22449 
1 1 1 -2  20 12 o 275.7942 19.95362 18.04698       2.571185  16.45036       2.787178  27.16706       6.661358  262.8798 22.76388 334.3908 43.37008 -71.51108      48.98120 
1 1 1 -2  20 13 o 440.1140 11.44972 45.61962       2.370441  42.84541       3.739256  47.48357       3.065012  426.0500 18.65758 448.8325 14.51706 -22.78256      23.64001 
1 1 1 -2  20 14 o 420.6789 11.88304 41.69190       2.351513  40.62195       3.846215  42.33056       2.971581  414.6515 19.71882 423.6898 14.90975 -9.038300      24.72110 
1 1 1 -2  20 15 o 409.5397 13.81089 39.54776       2.660645  27.37218       7.170260  41.49191       2.865202  333.3339 47.03558 419.4297 14.52201 -86.09586      49.22636 
1 1 1 -2  20 16 o 405.3110 12.65132 38.73091       2.412090  37.68851       4.152476  39.26176       2.963295  398.2139 22.25682 407.8397 15.44600 -9.625763      27.09142 
1 1 1 -2  20 17 o 685.2962 13.49149 110.8017       4.349182  109.0963       7.683242  111.6058       5.275805  677.7009 24.10112 687.2846 16.31860 -9.583740      29.10602 
1 1 1 -2  20 18 o 247.6701 17.95597 14.59273       2.077743  17.29074       3.679246  13.32943       2.517614  267.2719 29.77002 235.7628 22.99365 31.50906       37.61598 
1 1 1 -2  20 19 o 290.2200 17.66654 20.01946       2.400358  20.98461       4.058503  19.50023       2.976821  294.4294 29.70946 285.5220 22.34193 8.907410       37.17276 
1 1 1 -2  20 20 o 336.0662 17.13180 26.82482       2.699313  23.24059       4.193294  29.36097       3.527314  309.8279 29.11314 350.6816 21.48627 -40.85370      36.18335 
1 1 1 -2  20 21 o 433.1571 15.75523 44.42885       3.210254  35.13670       4.604163  53.22038       4.478419  382.2427 25.75614 473.0752 20.12450 -90.83249      32.68600 
1 1 1 -2  20 22 o 572.1355 15.13870 77.51368       4.074337  74.15536       5.980214  80.42291       5.566021  557.2188 22.81506 581.1896 20.35906 -23.97076      30.57807 
1 1 1 -2  20 23 o 202.3737 30.81233 10.13220       2.840643  7.916172       4.826875  11.30636       3.513502  174.1734 53.63707 212.0689 36.53936 -37.89543      64.90039 
1 1 1 -2  20 24 o 339.2838 20.14006 27.56345       3.199951  20.99089       4.501771  34.27593       4.549433  291.2354 33.46842 376.4072 25.85059 -85.17172      42.28934 
1 1 1 -2  20 25 o 87.25919 37.00946 0.3247442      2.637391  -2.974195      3.777195  3.463262       3.684212  84.03143 39.14839 126.2194 46.74596 -42.18800      60.97361 
1 1 1 -2  20 26 o 128.2773 39.65813 4.193986       2.635833  0.7043536      3.627439  8.097671       3.836610  102.4818 43.43121 173.9516 46.13277 -71.46983      63.36010 
1 1 1 -2  20 27 o 320.7138 20.68902 24.84490       3.104589  16.86600       4.141206  35.08365       4.691143  257.4936 35.10417 378.2886 26.53033 -120.7950      44.00183 
1 1 1 -2  20 28 o 229.9027 29.23603 13.27214       3.090265  7.015459       4.630326  18.29726       4.149664  158.7835 52.91558 267.8727 33.67611 -109.0892      62.72272 
1 1 1 -2  20 29 o 107.7407 40.37865 2.609289       2.764994  -0.7452438     4.241150  5.089048       3.646467  97.85533 44.00875 137.2637 46.95581 -39.40839      64.35540 
1 1 1 -2  20 30 o 74.61115 34.43965 -1.574606      2.822305  -7.312724      4.346297  2.609091       3.711203  73.54630 36.14680 113.1393 45.50799 -39.59298      58.11685 
1 1 1 -2  22 1  o 763.3051 12.31062 137.1633       4.420256  149.5625       5.746971  119.2033       6.916659  796.8555 15.33169 710.9795 20.68093 85.87604       25.74415 
1 1 1 -2  22 2  o 984.5125 13.74644 228.2409       6.366210  229.7563       10.94967  227.4671       7.824614  986.6459 23.59231 982.5434 16.92941 4.102539       29.03794 
1 1 1 -2  22 3  o 1428.106 14.83720 480.3688       9.967398  480.5845       13.98601  480.1462       14.20868  1427.448 20.82881 1426.731 21.17104 0.7165527      29.69937 
1 1 1 -2  22 4  o 652.0027 9.931771 100.0516       3.046109  103.7143       4.422504  96.74551       4.201671  663.6039 14.16740 640.9358 13.93600 22.66809       19.87278 
1 1 1 -2  22 5  o 825.5317 18.74572 160.6847       7.279560  170.3627       10.52628  151.8133       10.07805  849.0116 26.35676 801.4033 26.73351 47.60834       37.54144 
1 1 1 -2  22 7  o 300.8142 38.17412 21.86088       5.280187  21.86088       5.280187  0.000000       0.000000  300.8142 38.17412 ?        ?        0.000000       38.17412 
1 1 1 -2  22 8  o 463.8466 22.13461 50.81682       4.829650  46.43282       6.389823  56.65874       7.376186  441.4489 30.96682 487.5864 32.34322 -46.13748      44.77753 
1 1 1 -2  22 9  o 419.5054 24.48547 41.76270       4.810878  37.45541       6.573694  46.73009       7.059469  395.1530 35.75230 442.0485 34.21597 -46.89551      49.48696 
1 1 1 -2  22 10 o 291.5445 32.30426 20.44278       4.355839  16.17717       6.319145  24.30440       6.012464  253.8774 54.53979 316.1611 41.42387 -62.28369      68.48742 
1 1 1 -2  22 11 o 227.3105 39.23212 12.69551       4.043383  20.06540       5.663836  5.035672       5.774175  286.0494 43.45947 159.0016 58.59137 127.0478       72.94981 
1 1 1 -2  22 12 o 546.9290 10.21127 70.44640       2.627121  69.50830       2.747310  80.46969       8.980279  543.2374 10.75100 580.1257 33.04454 -36.88831      34.74947 
1 1 1 -2  22 13 o 892.8084 17.75513 188.2867       7.456783  188.2867       7.456783  0.000000       0.000000  892.8084 17.75513 ?        ?        0.000000       17.75513 
1 1 1 -2  22 14 o 397.4493 13.58791 37.25789       2.540410  42.52877       3.602371  32.04334       3.583072  424.1797 18.05382 367.3188 20.82252 56.86096       27.55935 
1 1 1 -2  22 15 o 307.8569 13.22248 22.35732       1.914834  19.05971       3.342824  23.96775       2.336071  282.0125 25.47356 318.5688 15.58883 -36.55630      29.86493 
1 1 1 -2  22 16 o 295.5588 12.87120 20.61014       1.789503  19.27243       3.459783  21.09872       2.090915  283.2508 26.26499 298.8857 14.87175 -15.63489      30.18309 
1 1 1 -2  22 17 o 387.7418 12.37603 35.47394       2.257320  38.16511       4.089694  34.29486       2.707024  400.2662 21.80283 380.9465 15.10632 19.31970       26.52479 
1 1 1 -2  22 18 o 526.7191 12.54357 65.48704       3.107918  57.04820       4.813384  71.52071       4.070054  490.0605 20.88005 549.8849 15.73472 -59.82440      26.14494 
1 1 1 -2  22 19 o 653.7781 14.13054 101.0272       4.345687  94.22979       6.147203  107.8181       6.144258  629.6140 20.75553 673.9369 19.38121 -44.32294      28.39760 
1 1 1 -2  22 20 f 261.9610 17.50899 16.34277       2.145154  12.16233       3.760607  18.35913       2.611749  220.5494 37.59615 277.1809 20.16913 -56.63147      42.66455 
1 1 1 -2  22 21 o 215.6045 21.42130 11.18310       2.143803  8.193651       3.536950  12.91914       2.695333  178.6303 42.67667 230.9551 25.21927 -52.32472      49.57125 
1 1 1 -2  22 22 o 304.1952 19.29342 22.10839       2.746484  30.26160       5.289209  19.09844       3.213708  351.5265 32.34923 281.2552 24.53621 70.27127       40.60170 
1 1 1 -2  22 23 o 117.1401 36.63824 3.381742       2.242327  -1.571993      3.443590  7.028372       2.954547  86.66926 39.25289 165.4228 38.66319 -78.75358      55.09657 
1 1 1 -2  22 24 o 209.8751 25.45172 10.77301       2.461343  7.750738       3.707988  13.15367       3.290940  171.4352 45.29922 230.1590 31.20070 -58.72382      55.00457 
1 1 1 -2  22 25 o 122.3261 37.43657 3.791475       2.355591  1.519197       3.290376  6.180445       3.373807  104.9503 42.62614 153.0882 44.31243 -48.13785      61.48642 
1 1 1 -2  22 26 o 75.50818 33.22918 -0.3770531     2.287423  2.173912       3.127760  -3.310178      3.353872  108.3542 42.35099 75.70087 35.77463 32.65337       55.43853 
1 1 1 -2  22 27 f 117.4407 40.37723 3.418142       2.697264  1.291617       4.057041  5.102634       3.610843  109.3558 46.11460 139.0722 46.72998 -29.71639      65.65247 
1 1 1 -2  22 28 o 217.2866 39.00626 12.58544       3.840396  0.000000       0.000000  12.58544       3.840396  ?        ?        217.2866 39.00626 0.000000       39.00626 
1 1 1 -2  24 1  o 614.5858 10.55312 88.92823       3.050933  93.51140       4.272142  84.15791       4.358494  629.9506 14.41683 597.5278 15.50633 32.42285       21.17289 
1 1 1 -2  24 2  o 189.5123 18.10520 8.549191       1.594386  8.727414       2.201225  8.352495       2.312491  190.4512 25.18840 185.8873 27.25563 4.563858       37.11233 
1 1 1 -2  24 3  o 594.7965 14.59683 83.37569       4.084099  0.000000       0.000000  83.37569       4.084099  ?        ?        594.7965 14.59683 0.000000       14.59683 
1 1 1 -2  24 4  o 433.6015 9.267765 44.25684       1.890319  44.20021       2.571276  44.32345       2.788552  433.1710 12.61886 433.7169 13.66794 -0.5458984     18.60237 
1 1 1 -2  24 5  f 568.2407 19.28764 76.22935       5.155616  75.92153       6.953207  76.60524       7.683683  566.2170 26.10555 567.6165 28.87220 -1.399475      38.92434 
1 1 1 -2  24 6  o 495.6447 21.14375 58.05203       4.929714  66.70631       6.870831  48.87040       7.077079  529.7195 27.66966 451.9674 33.52620 77.75217       43.46972 
1 1 1 -2  24 7  f 226.0664 36.92587 12.50373       3.791181  14.05172       5.149617  10.67182       5.601984  237.4393 47.76033 206.0268 56.23136 31.41245       73.77679 
1 1 1 -2  24 8  o 576.8917 21.72361 78.71204       5.895160  82.87753       8.386426  74.64329       8.288468  589.6556 30.33774 559.1888 31.63961 30.46680       43.83427 
1 1 1 -2  24 9  f 418.0872 25.30647 41.59269       4.953553  31.36148       6.423940  56.59929       7.779991  359.8575 38.54900 485.8108 34.26379 -125.9532      51.57550 
1 1 1 -2  24 10 o 417.3593 25.25826 41.47201       4.935514  42.36029       6.759718  40.45779       7.223038  419.6385 34.55100 409.1022 37.96623 10.53638       51.33426 
1 1 1 -2  24 11 o 784.1683 21.28750 145.5931       7.852414  139.0607       10.48038  153.9536       11.85648  764.1635 29.15558 803.2586 31.37842 -39.09515      42.83285 
1 1 1 -2  24 12 o 212.1540 42.88214 11.25998       4.132357  6.560643       5.221373  19.13793       6.760409  166.9445 56.19270 274.6208 54.25657 -107.6764      78.11143 
1 1 1 -2  24 13 o 219.4960 43.49763 12.07716       4.332438  13.27884       6.038798  10.80262       6.219169  227.1004 56.70153 205.5508 60.35545 21.54956       82.81210 
1 1 1 -2  24 14 o 303.4706 12.12466 21.72010       1.730834  21.48177       1.781587  25.72533       7.303506  301.7716 12.55045 320.0001 50.16824 -18.22849      51.71427 
1 1 1 -2  24 15 o 103.4492 35.17646 2.402199       2.046316  4.050401       2.250590  -5.460762      4.915687  127.7813 35.93703 90.97539 43.08789 36.80590       56.10737 
1 1 1 -2  24 16 o 392.4419 13.87032 36.37251       2.560537  33.98135       3.474775  39.21376       3.787724  378.0561 19.60625 406.6177 19.80262 -28.56155      27.86663 
1 1 1 -2  24 17 o 476.3847 12.07749 53.55428       2.706474  47.87865       4.093478  57.96224       3.607484  449.2678 19.36947 495.0744 15.49047 -45.80658      24.80184 
1 1 1 -2  24 18 o 234.1012 15.84591 13.02721       1.734701  10.21696       3.268693  14.12901       2.046704  202.5927 35.59807 243.4840 17.99714 -40.89130      39.88884 
1 1 1 -2  24 19 o 331.1322 13.32199 25.91098       2.075104  21.66062       3.654888  27.93285       2.520797  299.6731 26.19037 343.5099 15.60017 -43.83679      30.48444 
1 1 1 -2  24 20 o 396.3673 13.29596 37.14220       2.479059  30.03337       4.094687  41.25576       3.114803  353.3670 24.79039 417.2864 15.86817 -63.91946      29.43403 
1 1 1 -2  24 21 o 267.4861 17.00943 17.05248       2.129110  13.84085       3.905516  18.41058       2.539687  235.1667 36.48705 277.3949 19.58905 -42.22824      41.41299 
1 1 1 -2  24 22 o 208.8858 21.52621 10.53949       2.084870  2.099580       3.426419  15.50126       2.627178  112.3072 44.19792 253.5332 22.25361 -141.2260      49.48413 
1 1 1 -2  24 23 o 198.0940 23.17750 9.552196       2.118939  5.802912       3.338981  12.08023       2.741772  149.4185 44.31887 221.9138 26.80833 -72.49535      51.79622 
1 1 1 -2  24 24 o 315.0403 18.85022 23.81389       2.780693  19.85370       3.738854  28.71582       4.159716  283.9646 28.36983 343.1332 25.96320 -59.16858      38.45692 
1 1 1 -2  24 25 o 84.11906 34.18429 0.8855644      2.117633  -0.6502341E-01 2.988309  1.844437       3.001303  88.40343 38.46144 104.0471 41.23209 -15.64370      56.38588 
1 1 1 -2  24 26 o 153.0107 49.07390 6.421015       4.000989  4.744352       5.668496  8.085613       5.648065  143.6729 56.75043 168.4365 58.39883 -24.76357      81.43116 
1 1 1 -2  26 1  o 371.5775 11.73217 32.52883       2.050677  36.55535       2.875466  28.36135       2.925367  393.6556 15.52825 346.0988 18.03084 47.55673       23.79575 
1 1 1 -2  26 2  o 285.5430 12.78703 19.21587       1.717555  20.21686       2.454953  18.25613       2.403832  292.0547 17.95641 277.4022 18.52808 14.65250       25.80159 
1 1 1 -2  26 3  o 256.0648 13.04566 15.49497       1.566188  17.92334       2.241163  13.17708       2.189586  274.9803 17.41611 235.2699 19.97332 39.71040       26.50008 
1 1 1 -2  26 4  o 197.7688 12.44189 9.254001       1.151580  12.64381       1.549155  5.067391       1.721624  231.1094 14.32031 143.9264 26.40192 87.18295       30.03552 
1 1 1 -2  26 5  o 806.0101 19.22898 153.5543       7.290647  169.5006       10.48280  138.6148       10.14649  844.9987 26.37253 763.6263 28.24656 81.37238       38.64425 
1 1 1 -2  26 6  o 291.3178 37.74477 20.67182       5.050816  20.67182       5.050816  0.000000       0.000000  291.3178 37.74477 ?        ?        0.000000       37.74477 
1 1 1 -2  26 7  o 241.8620 34.76854 14.26877       3.841980  14.80678       5.065986  13.54043       5.894378  243.5464 45.90310 230.5408 55.10223 13.00557       71.71715 
1 1 1 -2  26 8  o 530.5425 21.88542 66.68352       5.461907  64.38764       7.307477  69.58978       8.221698  518.8408 30.06978 538.6857 32.59920 -19.84485      44.34974 
1 1 1 -2  26 9  o 236.0356 54.86068 14.23603       5.975499  0.000000       0.000000  14.23603       5.975499  ?        ?        236.0356 54.86068 0.000000       54.86068 
1 1 1 -2  26 10 o 740.4599 21.73242 129.9718       7.569706  125.5945       10.30262  135.1070       11.15894  725.2512 30.19883 751.6970 31.55810 -26.44586      43.67932 
1 1 1 -2  26 11 o 510.9277 24.56954 62.04737       5.905078  65.84424       8.148393  57.84781       8.569605  523.0547 33.29050 488.5969 37.57359 34.45782       50.19992 
1 1 1 -2  26 12 o 503.2082 24.87155 60.23214       5.887351  59.83948       7.682844  60.79073       9.163407  498.4409 32.95312 499.9651 39.27881 -1.524170      51.27117 
1 1 1 -2  26 13 o 136.6440 48.97715 4.013458       3.997430  4.982164       5.328662  2.766647       6.045362  153.6940 56.33837 143.5455 57.96090 10.14854       80.82993 
1 1 1 -2  26 14 o 155.3144 49.77547 5.887551       4.116791  0.5909632      5.289163  14.02795       6.557097  123.2231 52.34403 231.6749 59.77111 -108.4518      79.45113 
1 1 1 -2  26 15 o 193.1645 62.18935 9.458979       6.420706  0.000000       0.000000  9.458979       6.420706  ?        ?        193.1645 62.18935 0.000000       62.18935 
1 1 1 -2  26 16 o 140.3570 20.94696 4.780152       1.340671  4.271963       1.368111  17.06897       6.727651  132.1545 22.83322 255.3883 57.39816 -123.2338      61.77301 
1 1 1 -2  26 17 o 128.5423 33.86976 4.141432       2.076703  4.024506       2.524961  4.385898       3.650965  127.7381 38.68859 137.1816 46.98448 -9.443520      60.86336 
1 1 1 -2  26 18 o 73.00153 31.21459 0.3995284E-02  1.903440  2.847728       2.627787  -3.135100      2.760883  113.3603 39.80350 68.17263 32.28901 45.18770       51.25328 
1 1 1 -2  26 19 o 335.6494 17.05301 26.79850       2.683656  15.40725       6.876264  28.84536       2.914810  238.4367 61.04521 348.0773 17.86201 -109.6406      63.60479 
1 1 1 -2  26 20 o 174.4973 20.38064 7.356176       1.641405  2.254266       2.759109  10.15087       2.042066  107.3999 40.31904 205.0867 21.48618 -97.68686      45.68677 
1 1 1 -2  26 21 f 151.3435 49.27384 5.832764       4.023547  0.9256838      5.718103  10.64507       5.662612  126.0605 54.00724 197.6019 57.46913 -71.54138      78.86370 
1 1 1 -2  26 22 o 187.6363 45.39624 9.330522       3.963376  6.721166       5.653707  11.85196       5.557649  162.8938 58.26125 207.2599 55.77615 -44.36610      80.65576 
1 1 1 -2  28 1  o 580.3105 12.90658 79.40090       3.523230  81.67361       4.245845  74.37575       6.313452  588.2595 15.34355 559.9700 23.96805 28.28943       28.45860 
1 1 1 -2  28 2  o 667.3517 10.61486 104.9240       3.332255  109.2228       4.766187  100.8136       4.660627  680.3350 14.89289 653.5822 15.15915 26.75287       21.25083 
1 1 1 -2  28 3  o 401.2588 11.26733 37.94158       2.126742  34.75030       3.267048  40.28840       2.801641  383.4357 18.11314 413.2322 14.41283 -29.79651      23.14769 
1 1 1 -2  28 4  o 486.1664 10.26312 55.68080       2.347110  56.31953       2.536327  51.87278       6.192938  488.8862 11.02880 465.9381 28.39069 22.94812       30.45761 
1 1 1 -2  28 5  o 679.6345 19.02117 109.2497       6.081096  126.5755       8.772408  93.22236       8.437312  729.9072 25.54947 625.5891 28.67118 104.3181       38.40329 
1 1 1 -2  28 6  o 268.7931 29.08696 17.41323       3.619120  17.15220       4.641475  17.81808       5.780328  264.4142 38.44257 266.8167 47.81039 -2.402527      61.34871 
1 1 1 -2  28 7  o 398.9378 23.88738 37.91103       4.462114  43.13318       5.982111  31.36148       6.699398  424.0855 30.18394 358.3320 40.45300 65.75348       50.47292 
1 1 1 -2  28 8  o 589.4788 21.36115 82.35440       5.923278  84.03687       8.179681  80.49941       8.588850  593.4868 29.29922 579.3652 31.63437 14.12164       43.11818 
1 1 1 -2  28 9  o 102.6171 44.32716 -0.2436407     3.912948  -11.04043      5.078384  15.53211       6.138655  77.34095 38.21209 246.3333 54.42673 -168.9923      66.50137 
1 1 1 -2  28 10 o 536.3204 24.14876 68.36778       6.092401  59.33413       7.978158  81.00476       9.436100  495.8565 34.41716 579.5759 34.77163 -83.71936      48.92450 
1 1 1 -2  28 11 f 368.9962 36.77357 33.14507       6.298006  33.14507       6.298006  0.000000       0.000000  368.9962 36.77357 ?        ?        0.000000       36.77357 
1 1 1 -2  28 12 o 564.1209 23.19990 75.65795       6.156412  70.74911       7.979462  82.87753       9.676997  542.2488 31.41743 585.3348 35.31059 -43.08600      47.26407 
1 1 1 -2  28 13 o 147.0741 49.74691 5.086295       4.092401  3.647444       5.290698  7.229489       6.457073  142.8895 55.29327 176.0689 62.33852 -33.17938      83.32729 
1 1 1 -2  28 14 o 130.0958 56.32218 0.9997029E-02  6.345465  0.000000       0.000000  0.9997029E-02  6.345465  ?        ?        130.0958 56.32218 0.000000       56.32218 
1 1 1 -2  28 15 o 314.1421 32.14771 24.03123       4.683642  22.85672       6.242430  25.54399       7.084544  301.2936 45.45884 317.2001 49.06355 -15.90646      66.88600 
1 1 1 -2  28 16 o 254.4153 37.64772 16.10126       4.369545  13.35315       5.893492  19.45601       6.511577  224.8257 55.94960 273.9167 52.44576 -49.09102      76.68713 
1 1 1 -2  28 17 o 282.8268 43.63781 20.24673       5.618880  20.24673       5.618880  0.000000       0.000000  282.8268 43.63781 ?        ?        0.000000       43.63781 
1 1 1 -2  28 18 o 385.6350 27.53374 36.00985       4.961883  34.72057       6.858551  37.42569       7.187312  372.9706 39.70244 387.1683 40.04227 -14.19772      56.38854 
1 1 1 -2  28 19 o 155.8739 46.42622 6.292376       3.658413  4.262783       4.938660  8.760405       5.446025  141.9460 53.79593 181.3759 57.15765 -39.42995      78.49203 
1 1 1 -2  28 20 o 153.0310 56.76064 5.478597       5.435917  0.000000       0.000000  5.478597       5.435917  ?        ?        153.0310 56.76064 0.000000       56.76064 
1 1 1 -2  28 21 o 209.8336 43.88998 11.59896       4.192945  8.448277       5.987246  14.63139       5.873818  176.4919 60.16915 230.1205 55.00887 -53.62866      81.52486 
1 1 1 -2  30 1  o 509.6991 12.93554 61.26908       3.101471  64.36118       3.692691  53.86445       5.714369  522.1551 15.03398 475.3597 25.64998 46.79535       29.73117 
1 1 1 -2  30 2  o 603.2026 10.72521 85.73938       3.043255  90.52653       4.424706  81.44187       4.192316  619.2300 15.19019 587.3401 15.17382 31.88989       21.47060 
1 1 1 -2  30 3  o 270.9973 12.23599 17.31583       1.559817  14.98376       2.109761  20.12743       2.316538  251.0970 17.98070 291.3508 16.97618 -40.25380      24.72845 
1 1 1 -2  30 4  o 163.9476 15.35246 6.402014       1.170215  6.420051       1.214524  6.168252       4.372255  164.1015 15.93434 159.6835 51.30934 4.418076       53.72664 
1 1 1 -2  30 5  o 168.5587 52.87468 6.994650       4.666270  6.994650       4.666270  0.000000       0.000000  168.5587 52.87468 ?        ?        0.000000       52.87468 
1 1 1 -2  30 6  o 563.9456 20.98955 75.38641       5.568132  76.51606       7.729291  74.16766       8.028273  565.4044 29.16034 556.0768 30.81189 9.327637       42.42285 
1 1 1 -2  30 7  o 289.8016 30.90813 20.31384       4.148489  21.99465       5.659569  18.36207       6.098713  298.5790 41.41022 269.5356 49.93991 29.04333       64.87527 
1 1 1 -2  30 8  o 303.7335 45.35809 22.97860       6.282048  0.000000       0.000000  22.97860       6.282048  ?        ?        303.7335 45.35809 0.000000       45.35809 
1 1 1 -2  30 9  o 573.9362 21.76608 78.20868       5.876425  79.45898       7.940097  76.69442       8.738146  575.5676 29.42485 563.9993 33.08079 11.56830       44.27370 
1 1 1 -2  30 10 o 455.2227 24.09583 49.46745       5.141455  47.88942       6.819502  51.54578       7.826250  445.1006 32.80170 460.4449 36.43072 -15.34436      49.02192 
1 1 1 -2  30 11 o 246.4690 36.26431 14.98856       4.078781  14.51546       5.622084  15.51427       5.926481  237.3324 51.81186 245.1393 52.94296 -7.806915      74.07716 
1 1 1 -2  30 12 f 232.4204 36.81517 13.40111       3.890911  13.84364       5.455365  12.94293       5.551040  231.3927 51.45089 222.9712 53.58889 8.421555       74.28973 
1 1 1 -2  30 13 o 91.51244 40.69366 -1.050291      3.518254  -2.398633      4.805882  0.5068371      5.164585  101.4516 46.11386 120.5961 51.48734 -19.14458      69.11898 
1 1 1 -2  30 14 o 160.7248 46.01321 6.605015       3.655846  7.740785       5.013311  5.315102       5.342686  173.9586 54.84203 154.4102 56.44100 19.54837       78.69711 
1 1 1 -2  30 15 o 179.4045 44.01286 8.305805       3.686329  7.318668       5.194445  9.307373       5.232275  169.9477 56.01825 188.0261 55.40271 -18.07845      78.78771 
1 1 1 -2  30 16 o 219.5486 49.50937 12.65755       4.991166  12.65755       4.991166  0.000000       0.000000  219.5486 49.50937 ?        ?        0.000000       49.50937 
1 1 1 -2  30 17 o 123.4967 46.07028 3.175808       3.591287  6.718194       5.025591  -0.5208086     5.133831  162.7486 55.12741 113.0379 49.76237 49.71075       74.26524 
1 1 1 -2  30 18 o 136.5090 47.66440 4.472821       3.765709  -4.274673      4.989287  16.05232       5.740392  94.33666 44.28683 245.0525 51.43726 -150.7159      67.87574 
1 1 1 -2  32 1  o 448.3873 16.81119 47.54552       3.545855  62.57432       5.265763  35.07729       4.796249  513.4454 21.80207 382.6357 26.81639 130.8097       34.56080 
1 1 1 -2  32 2  o 490.8374 17.37908 56.99864       4.012674  61.92034       5.693251  52.14031       5.656483  510.3036 23.71714 467.1151 25.84312 43.18854       35.07663 
1 1 1 -2  32 3  o 372.1485 20.65988 32.94778       3.602488  37.78241       5.531888  29.38764       4.747067  396.2407 29.89891 349.4001 29.14848 46.84064       41.75618 
1 1 1 -2  32 5  o 480.8264 20.37559 54.84555       4.608587  57.75863       6.622789  52.11059       6.417128  490.5349 28.82801 465.6473 29.44807 24.88760       41.20975 
1 1 1 -2  32 6  o 328.7505 25.87407 25.93656       3.968956  33.91796       6.101830  20.08324       5.225430  373.3138 35.16121 284.8499 40.10812 88.46384       53.33828 
1 1 1 -2  32 7  o 158.5631 44.84653 6.352730       3.494595  8.079668       5.064327  4.782997       4.828323  178.5068 54.93540 148.3071 53.73961 30.19969       76.84949 
1 1 1 -2  32 8  o 318.8477 27.00045 24.48100       4.011669  24.13793       5.748140  24.80678       5.601417  312.3272 40.04685 317.3405 38.29772 -5.013336      55.41178 
1 1 1 -2  32 9  o 427.9964 23.24725 43.77664       4.662821  43.66825       6.736202  43.87635       6.460862  423.6602 34.08942 425.2954 32.54158 -1.635223      47.12794 
1 1 1 -2  32 10 o 351.2895 36.68732 30.32105       5.973037  30.32105       5.973037  0.000000       0.000000  351.2895 36.68732 ?        ?        0.000000       36.68732 
1 1 1 -2  32 11 o 193.9450 40.64362 9.557205       3.589360  8.843639       5.148778  10.23187       5.006457  184.3686 55.11407 197.6027 52.83738 -13.23412      76.35017 
1 1 1 -2  32 12 o 190.3325 39.55553 9.205441       3.425903  8.415577       4.699744  10.10107       5.004523  179.6711 52.38476 195.8643 53.01981 -16.19321      74.53364 
1 1 1 -2  32 13 o 223.5104 50.96620 13.14209       5.239700  0.000000       0.000000  13.14209       5.239700  ?        ?        223.5104 50.96620 0.000000       50.96620 
1 1 1 -1  1  1  o 539.0825 7.581418 68.36652       1.922538  68.99388       2.388306  67.21165       3.240402  541.5193 9.375767 534.4009 12.89028 7.118408       15.93940 
1 1 1 -1  1  2  f 407.2147 6.432093 39.00803       1.232098  40.87401       1.788962  37.32425       1.699385  416.8076 9.124230 398.2982 9.070143 18.50940       12.86542 
1 1 1 -1  1  3  o 136.4049 9.323522 4.398117       0.5946601 3.277500       0.8068962 5.730304       0.8797749 117.0405 15.00112 155.5737 12.11728 -38.53317      19.28373 
1 1 1 -1  1  4  o 1198.313 12.28275 337.9338       6.923655  338.4716       9.808850  337.3998       9.774296  1198.918 17.39240 1197.021 17.35859 1.896973       24.57268 
1 1 1 -1  1  5  o 802.9956 11.41349 151.7345       4.311229  148.5751       5.160257  159.0369       7.845167  794.4990 13.80730 821.6438 20.29782 -27.14478      24.54878 
1 1 1 -1  1  6  o 1186.453 12.68392 331.2913       7.079021  319.7870       9.661730  344.6252       10.40166  1165.333 17.62526 1209.689 18.27931 -44.35535      25.39257 
1 1 1 -1  1  7  o 644.2896 9.935933 97.67126       3.011335  97.79060       4.252263  97.55119       4.265108  644.5615 14.02447 643.7698 14.08413 0.7916260      19.87583 
1 1 1 -1  1  8  o 1373.794 14.58165 444.2651       9.423184  452.7955       13.53474  436.2404       13.12738  1386.332 20.75455 1360.780 20.50789 25.55225       29.17747 
1 1 1 -1  1  9  o 648.9236 10.92394 99.09291       3.334589  102.6865       4.846935  95.86351       4.594802  660.4144 15.60204 638.1089 15.30744 22.30542       21.85730 
1 1 1 -1  1  10 o 1036.156 12.78526 252.7161       6.231665  257.1854       8.965973  248.5395       8.667418  1044.851 18.24205 1027.166 17.93824 17.68542       25.58423 
1 1 1 -1  1  11 o 229.6100 21.66281 12.54583       2.312127  16.00476       4.021690  10.83812       2.825822  257.7524 33.99910 212.1613 29.07971 45.59105       44.73890 
1 1 1 -1  1  12 o 554.6478 14.66818 72.49304       3.827039  70.92980       4.587682  76.07016       6.939782  548.3912 17.78416 567.0175 26.01837 -18.62622      31.51559 
1 1 1 -1  1  13 o 808.5923 12.99159 154.0324       4.941528  154.3337       7.007737  153.7343       6.969174  808.7123 18.42105 807.1500 18.35514 1.562317       26.00474 
1 1 1 -1  1  14 o 268.1283 22.50562 17.09507       2.812334  19.04009       3.541042  13.77229       4.628271  282.4457 26.97998 236.7092 43.15573 45.73653       50.89535 
1 1 1 -1  1  15 o 588.3564 15.80334 81.53085       4.373799  76.90250       7.280798  84.14423       5.471001  570.6446 27.12339 597.4979 19.46530 -26.85327      33.38527 
1 1 1 -1  1  16 o 246.8054 22.78587 14.48257       2.615522  19.34812       3.865324  10.37320       3.552286  284.7684 29.27193 206.1134 38.03942 78.65495       47.99837 
1 1 1 -1  1  17 o 680.6990 14.45265 109.0816       4.627770  107.2270       6.536758  110.9452       6.552580  674.5659 20.60007 686.1803 20.30041 -11.61444      28.92178 
1 1 1 -1  1  18 o 873.7247 17.08853 179.8012       7.023420  182.8316       8.625978  173.8407       12.09766  880.7604 20.82003 857.8824 29.97811 22.87793       36.49878 
1 1 1 -1  1  19 o 605.7469 15.65837 86.41628       4.461769  90.01572       6.358948  82.92581       6.261960  617.8452 21.87944 592.9743 22.44942 24.87091       31.34783 
1 1 1 -1  1  20 o 804.0165 18.83004 152.3790       7.121732  144.0433       8.524549  171.6409       12.95838  781.2719 23.19530 851.4970 32.35180 -70.22516      39.80780 
1 1 1 -1  1  21 o 1147.900 18.81642 310.7199       10.16038  316.8847       17.54745  307.6106       12.46198  1156.342 32.25955 1141.374 23.21077 14.96790       39.74190 
1 1 1 -1  1  22 o 364.5790 21.64549 31.50095       3.695535  34.45198       5.310290  28.72955       5.146127  380.0724 29.94432 346.5123 31.93052 33.56009       43.77466 
1 1 1 -1  1  23 o 615.2597 17.30622 89.33020       5.008758  87.13070       7.032318  91.59486       7.135721  606.6054 24.64467 621.9942 24.38834 -15.38879      34.67204 
1 1 1 -1  1  24 o 828.4655 19.90038 162.3506       7.755414  167.3328       9.555626  152.7348       13.27519  839.9482 24.18451 798.7047 35.33339 41.24353       42.81750 
1 1 1 -1  1  25 o 425.6565 20.81471 42.95592       4.167723  44.81060       5.967247  41.18953       5.823483  432.0550 29.53775 413.9834 30.11035 18.07156       42.17952 
1 1 1 -1  1  26 o 251.1579 43.38091 15.86810       4.939930  15.50832       7.406756  16.15636       6.629860  241.0751 64.17722 248.1249 57.86543 -7.049805      86.41251 
1 1 1 -1  1  27 o 135.3267 48.75289 4.061913       3.965676  13.31153       7.000079  -0.3097493     4.812429  221.5884 63.73887 111.6635 48.69061 109.9249       80.20860 
1 1 1 -1  1  28 o 493.9478 19.93206 58.20207       4.631296  66.24751       6.974445  51.85633       6.194065  522.4704 28.48532 461.9994 28.64252 60.47104       40.39564 
1 1 1 -1  1  29 o 312.0327 26.50248 23.74663       3.853249  27.74341       5.786561  20.56247       5.164907  331.6600 37.76344 283.9847 39.75273 47.67532       54.83025 
1 1 1 -1  1  30 o 136.6602 49.55794 4.481299       4.107298  4.249841       4.943793  4.997028       7.379627  139.1495 53.56026 156.5810 63.74343 -17.43149      83.25819 
1 1 1 -1  1  31 o 169.8279 43.76416 7.778318       3.518069  12.24041       5.288255  4.235620       4.712051  208.1217 53.66907 136.6165 52.36163 71.50528       74.98072 
1 1 1 -1  1  32 o 295.7772 31.12889 22.04705       4.266082  28.53275       5.614381  13.18668       6.562199  332.9188 36.44576 207.8228 62.24234 125.0959       72.12768 
1 1 1 -1  1  33 o 107.9199 43.27656 2.148990       3.345047  3.871652       4.686280  0.3595671      4.776224  130.3389 51.56299 108.8078 47.94468 21.53114       70.40905 
1 1 1 -1  1  34 o 151.3777 42.35516 6.475782       3.134637  8.175272       4.559541  4.952622       4.316528  164.1848 52.35905 134.9779 50.47779 29.20689       72.72880 
1 1 1 -1  1  35 o 91.74649 42.05167 -1.047793      4.105945  -2.116825      5.699601  0.1055291      5.920037  101.5737 47.57232 111.6765 50.92324 -10.10281      69.68717 
1 1 1 -1  1  36 o 115.7348 47.36455 3.414069       4.101593  -0.1053210     5.635516  7.378122       5.980943  105.5327 48.69622 144.7529 57.93102 -39.22026      75.67909 
1 1 1 -1  3  2  f 621.3438 8.910001 90.83091       2.604228  96.64091       4.918709  88.56786       3.069797  640.6813 16.32074 613.5154 10.63689 27.16589       19.48101 
1 1 1 -1  3  3  f 995.1977 10.49763 233.0449       4.914392  231.7685       6.913108  234.3489       6.987488  992.2632 14.81076 997.7673 14.88752 -5.504089      20.99993 
1 1 1 -1  3  4  o 1590.598 17.79538 595.7778       13.31487  566.8847       21.58951  613.5132       16.91473  1549.896 29.61223 1613.546 22.28510 -63.65002      37.06090 
1 1 1 -1  3  5  o 1393.565 14.05416 457.1101       9.213010  447.1188       12.72741  468.1085       13.35346  1377.757 19.63803 1409.672 20.13754 -31.91455      28.12779 
1 1 1 -1  3  6  o 568.3594 10.95751 76.01227       2.929574  75.70963       3.497286  76.72414       5.363792  567.1711 13.10834 570.7122 19.97954 -3.541077      23.89583 
1 1 1 -1  3  7  o 1471.767 17.31909 510.0504       11.99039  496.0342       14.32787  542.8062       21.90343  1451.016 20.99135 1516.437 30.70565 -65.42188      37.19508 
1 1 1 -1  3  8  o 356.7310 11.29441 29.94613       1.895281  29.39080       2.677658  30.50367       2.683014  353.3155 16.11102 359.9485 15.84577 -6.632996      22.59764 
1 1 1 -1  3  9  f 485.4052 12.99447 55.45865       2.967101  60.16647       5.526309  53.55189       3.517010  505.1772 23.25531 476.9074 15.67726 28.26984       28.04614 
1 1 1 -1  3  10 o 842.0130 11.82585 166.8763       4.684038  163.4784       6.585449  170.3554       6.663704  833.0861 16.80452 850.4389 16.65725 -17.35278      23.66127 
1 1 1 -1  3  11 o 512.3593 12.27603 61.80992       2.958707  58.42828       4.108750  65.45204       4.264059  497.8661 17.54397 526.9642 17.20176 -29.09811      24.57013 
1 1 1 -1  3  12 o 390.6541 14.29348 35.96300       2.626636  42.07918       3.915538  30.95877       3.541769  422.2051 19.71508 361.4648 20.91922 60.74030       28.74541 
1 1 1 -1  3  13 o 402.1274 17.26357 38.13710       3.265605  40.19645       4.038146  34.24495       5.551520  412.0575 20.90158 378.5959 31.45703 33.46167       37.76798 
1 1 1 -1  3  14 o 482.8728 16.54179 54.94571       3.757375  51.33770       6.402999  56.84067       4.640332  464.8764 29.43227 490.9063 20.09468 -26.02982      35.63783 
1 1 1 -1  3  15 o 756.1797 13.57036 134.6152       4.827093  130.7687       6.784082  138.5595       6.869806  744.9389 19.35981 766.8317 19.04474 -21.89282      27.15703 
1 1 1 -1  3  16 o 897.0961 13.98513 189.4492       5.901670  200.5419       8.727671  180.1039       8.010778  922.5604 20.11102 874.3351 19.47724 48.22534       27.99672 
1 1 1 -1  3  17 o 712.1816 16.35918 119.4354       5.480518  123.3056       9.565450  117.5441       6.686895  722.7948 28.13333 706.3064 20.12621 16.48840       34.59116 
1 1 1 -1  3  18 o 103.0760 38.87494 1.825554       2.571017  2.781695       3.750887  0.9782300      3.531000  125.3683 47.02090 107.5803 43.97772 17.78795       64.38171 
1 1 1 -1  3  19 o 1646.080 21.69423 638.9443       16.79826  649.6968       20.76986  618.6088       28.56311  1658.791 26.61783 1615.507 37.58612 43.28442       46.05676 
1 1 1 -1  3  20 o 820.3469 15.41481 158.5219       5.948468  158.8857       8.482317  158.1699       8.344192  820.6501 21.97289 818.8342 21.66302 1.815857       30.85602 
1 1 1 -1  3  21 o 182.2137 36.87339 8.167272       3.052057  13.75066       4.564870  3.653725       4.104295  236.7197 42.55905 136.0419 49.50826 100.6778       65.28661 
1 1 1 -1  3  22 o 638.3332 16.56261 96.07706       4.973311  105.1805       7.292724  88.16275       6.799771  667.0840 23.24020 610.6830 23.67060 56.40106       33.17234 
1 1 1 -1  3  23 o 327.3049 27.42159 25.58783       4.183057  24.74733       7.576437  25.95638       5.017047  315.4579 52.93184 328.5845 32.90086 -13.12665      62.32372 
1 1 1 -1  3  24 o 382.7686 22.31146 34.83054       3.999877  31.39753       5.674051  38.22183       5.639467  360.8015 33.82637 399.3121 30.24769 -38.51065      45.37782 
1 1 1 -1  3  25 o 555.6122 21.75142 73.26419       5.684977  77.42043       6.903409  64.50655       10.02090  570.1327 25.74058 513.6482 41.83707 56.48450       49.12147 
1 1 1 -1  3  26 o 169.4367 41.55044 7.298210       3.286404  10.24852       4.668500  4.399961       4.627129  199.1264 49.93134 143.4831 52.51360 55.64333       72.46252 
1 1 1 -1  3  27 o 124.0466 44.49111 3.378863       3.299193  2.369437       4.664642  4.389261       4.666887  126.9552 51.03583 142.5293 52.64668 -15.57412      73.32345 
1 1 1 -1  3  28 o 352.7350 23.36037 29.97002       3.854181  29.24819       5.452599  30.69082       5.448673  343.9081 34.15666 352.8132 33.22165 -8.905060      47.64825 
1 1 1 -1  3  29 o 151.3673 43.85664 6.001115       3.303329  6.776910       4.725804  5.259912       4.619243  160.8226 53.45185 146.9525 52.65127 13.87009       75.02837 
1 1 1 -1  3  30 o 171.5871 41.52414 7.791288       3.315435  10.64720       4.905316  5.389416       4.498519  196.1078 52.23773 146.3560 52.00941 49.75182       73.71404 
1 1 1 -1  3  31 o 297.8928 31.40845 22.23195       4.334908  24.26564       5.501035  18.90012       7.041146  306.4709 39.04490 255.0959 59.72974 51.37497       71.35927 
1 1 1 -1  3  32 o 90.20841 40.84993 -1.226637      3.727960  1.586207       6.474611  -2.621640      4.559617  129.8913 56.56226 93.50106 43.37476 36.39021       71.27873 
1 1 1 -1  3  33 o 243.0926 40.25300 15.86553       4.441912  15.58859       7.648464  16.00648       5.456387  216.1594 67.67566 235.9421 50.67460 -19.78268      84.54531 
1 1 1 -1  3  34 o 78.78165 37.00961 -2.588639      3.494385  -7.494055      5.705813  0.3554264      4.420316  87.34255 42.60629 103.7120 45.88951 -16.36941      62.61903 
1 1 1 -1  3  35 o 78.13958 36.17366 -1.548130      3.147344  -5.338883      5.388057  0.4152475      3.877675  88.42186 42.72100 97.11325 42.97465 -8.691391      60.59624 
1 1 1 -1  3  36 o 173.5848 58.17191 11.12069       5.595420  11.12069       5.595420  0.000000       0.000000  173.5848 58.17191 ?        ?        0.000000       58.17191 
1 1 1 -1  5  1  o 368.5256 7.886282 31.95029       1.367128  32.72952       1.643826  30.20214       2.462128  372.9748 9.369295 358.2014 14.61214 14.77338       17.35795 
1 1 1 -1  5  2  o 1288.094 14.76595 390.5584       8.947017  385.6217       10.71844  401.9025       16.24788  1279.693 17.80560 1305.501 26.45759 -25.80811      31.89112 
1 1 1 -1  5  3  o 347.4990 8.428611 28.40933       1.377777  27.81213       3.053110  28.56205       1.543922  343.1194 18.98985 348.4203 9.420039 -5.300934      21.19791 
1 1 1 -1  5  4  o 857.2302 9.860332 172.8983       3.976109  173.1064       5.628410  172.6910       5.617740  857.5911 13.95199 856.5618 13.94227 1.029358       19.72422 
1 1 1 -1  5  5  o 1152.607 12.20648 312.6375       6.618219  307.7054       9.224010  317.8705       9.501299  1143.173 17.15294 1161.885 17.38403 -18.71191      24.42187 
1 1 1 -1  5  6  o 298.0842 10.35146 20.90699       1.451476  20.98811       2.044520  20.82456       2.060974  298.6034 14.55551 297.4348 14.73029 1.168579       20.70856 
1 1 1 -1  5  7  o 865.2775 12.85596 176.2105       5.232741  176.1799       6.303166  176.2782       9.386073  865.0758 15.48942 864.8216 23.07215 0.2542114      27.78932 
1 1 1 -1  5  8  o 345.9960 13.72203 28.17960       2.233360  27.67539       4.241059  28.37308       2.627140  341.4778 26.61248 347.1288 16.08879 -5.651031      31.09780 
1 1 1 -1  5  9  o 1004.046 12.34527 237.2911       5.830738  235.5359       8.245787  239.0464       8.246030  999.9347 17.53037 1007.370 17.40149 -7.435547      24.70073 
1 1 1 -1  5  10 o 870.1223 13.66936 178.2972       5.594973  180.1427       9.729161  177.3854       6.838964  873.5196 23.67737 867.6212 16.75679 5.898438       29.00703 
1 1 1 -1  5  11 o 466.1128 12.43560 51.17013       2.726636  54.04468       3.932905  48.50980       3.783524  478.7075 17.46521 453.5135 17.73524 25.19397       24.89121 
1 1 1 -1  5  12 o 739.4848 12.31174 128.7982       4.282702  135.3318       6.341496  123.3195       5.807045  757.4277 17.79841 723.1162 17.07174 34.31152       24.66227 
1 1 1 -1  5  13 o 217.9258 31.17180 11.47510       3.104468  11.47510       3.104468  0.000000       0.000000  217.9258 31.17180 ?        ?        0.000000       31.17180 
1 1 1 -1  5  14 o 531.4755 13.61994 66.50304       3.405083  72.03398       4.951590  61.54090       4.690073  552.8708 19.03933 510.9936 19.51169 41.87717       27.26174 
1 1 1 -1  5  15 o 329.6888 17.77332 25.67538       2.746214  24.40656       3.964915  26.84535       3.807343  320.5399 26.53415 336.5387 24.21194 -15.99884      35.92046 
1 1 1 -1  5  16 o 575.0366 19.97627 77.90564       5.403550  0.000000       0.000000  77.90564       5.403550  ?        ?        575.0366 19.97627 0.000000       19.97627 
1 1 1 -1  5  17 o 711.9788 14.27264 119.3356       4.780142  126.0552       7.000435  113.4655       6.543007  731.4046 20.34689 693.9390 20.04411 37.46564       28.56155 
1 1 1 -1  5  18 f 977.3878 15.03158 224.9398       6.911002  225.7863       9.899327  224.1350       9.652606  978.6440 21.50362 975.1067 21.04375 3.537354       30.08729 
1 1 1 -1  5  19 o 1125.792 18.05832 298.6528       9.563232  295.5474       11.76629  304.6968       16.41499  1119.369 22.34586 1135.118 30.74185 -15.74939      38.00525 
1 1 1 -1  5  20 o 758.0429 15.47379 135.3689       5.517721  142.8165       8.056188  128.7883       7.572706  777.9827 22.01357 738.8105 21.78957 39.17212       30.97390 
1 1 1 -1  5  21 o 446.4866 18.13739 47.00975       3.809364  54.74065       5.756550  40.98692       5.080982  480.5175 25.55926 415.5168 26.12804 65.00061       36.55065 
1 1 1 -1  5  22 o 431.9764 26.47837 44.35181       5.354513  0.000000       0.000000  44.35181       5.354513  ?        ?        431.9764 26.47837 0.000000       26.47837 
1 1 1 -1  5  23 o 595.6624 17.20283 83.75966       4.820248  79.76399       6.836231  87.71036       6.797653  580.0903 25.05254 608.5391 23.74659 -28.44873      34.51855 
1 1 1 -1  5  24 o 412.5368 20.85955 40.40750       4.034822  41.94656       5.710020  38.87266       5.702187  418.4886 29.18858 402.4944 30.34012 15.99411       42.10102 
1 1 1 -1  5  25 o 215.1649 39.86739 11.56497       3.886544  7.716702       4.840608  18.54638       6.519861  175.1707 53.67504 269.0543 53.39877 -93.88359      75.71287 
1 1 1 -1  5  26 o 455.3352 20.51701 49.28344       4.394553  42.19483       5.958321  57.73929       6.507617  417.6202 30.54189 489.7380 28.36959 -72.11783      41.68501 
1 1 1 -1  5  27 o 190.9228 38.02196 9.238739       3.294784  9.602425       4.671256  8.878682       4.647888  191.0115 51.02179 183.8316 51.62444 7.179932       72.58309 
1 1 1 -1  5  28 o 164.5549 52.97731 7.054402       4.659426  0.000000       0.000000  7.054402       4.659426  ?        ?        164.5549 52.97731 0.000000       52.97731 
1 1 1 -1  5  29 o 211.9404 35.30628 11.39870       3.396104  12.96034       4.761546  9.781721       4.845180  220.5443 47.31464 189.2155 52.55815 31.32884       70.71799 
1 1 1 -1  5  30 o 84.68964 38.21168 -1.200442      3.227865  -0.6572950     4.524224  -1.763565      4.606672  103.8833 46.17272 99.28262 45.13570 4.600708       64.56897 
1 1 1 -1  5  31 o 228.8192 41.39418 13.81655       4.291531  10.31644       4.912045  25.10405       8.821055  191.1472 52.85609 288.5599 66.36885 -97.41277      84.84451 
1 1 1 -1  5  32 o 219.3115 34.68882 12.43102       3.459618  9.500456       4.740096  15.77172       5.060926  181.7167 52.50248 239.6521 46.57098 -57.93539      70.18095 
1 1 1 -1  5  33 o 234.2014 38.68490 14.64352       4.113064  15.69263       7.382173  14.17123       4.953088  217.7663 66.19678 222.8832 48.61114 -5.116867      82.12829 
1 1 1 -1  5  34 o 136.2817 46.42591 5.264487       3.564486  8.394769       6.267764  3.768135       4.333489  161.8689 60.76865 124.9537 49.53608 36.91519       78.40059 
1 1 1 -1  5  35 o 119.6897 42.20779 3.980403       2.957262  5.219976       5.205679  3.389756       3.593398  134.6375 53.98832 115.9147 45.36980 18.72281       70.52061 
1 1 1 -1  5  36 o 253.8565 54.00446 21.50119       6.250674  21.50119       6.250674  0.000000       0.000000  253.8565 54.00446 ?        ?        0.000000       54.00446 
1 1 1 -1  7  1  o 2435.203 26.08357 1398.165       29.87938  1456.302       54.38145  1373.026       35.76086  2478.757 46.63881 2411.872 31.51987 66.88477       56.29104 
1 1 1 -1  7  2  o 786.5747 10.73581 145.5787       3.972318  146.3628       4.775121  143.8169       7.157865  788.6192 12.87205 781.4326 19.47254 7.186646       23.34244 
1 1 1 -1  7  3  o 1465.498 20.44501 505.8993       14.09425  0.000000       0.000000  505.8993       14.09425  ?        ?        1465.498 20.44501 0.000000       20.44501 
1 1 1 -1  7  4  o 906.9587 10.16996 193.5442       4.338864  200.0863       6.347344  187.8059       5.944598  921.9713 14.63542 893.2533 14.14746 28.71802       20.35550 
1 1 1 -1  7  5  o 842.7434 10.00499 167.1080       3.966261  163.1358       5.534791  171.3011       5.686567  832.5074 14.13331 853.0859 14.17060 -20.57843      20.01390 
1 1 1 -1  7  6  o 751.3925 9.941333 132.8468       3.513830  133.5330       4.975135  132.1637       4.963499  753.1773 14.04230 749.3039 14.08188 3.873413       19.88682 
1 1 1 -1  7  7  o 747.5150 12.43124 131.5198       4.371230  129.7094       5.146692  136.2069       8.280954  742.2439 14.74050 760.0438 23.16181 -17.79987      27.45454 
1 1 1 -1  7  8  o 629.8229 10.42833 93.35594       3.089603  94.55707       4.466713  92.25411       4.278104  633.6553 14.98531 625.9150 14.53004 7.740356       20.87298 
1 1 1 -1  7  9  o 632.9666 12.30953 94.33708       3.665149  96.73009       6.260295  93.08908       4.520959  640.2880 20.78501 628.5767 15.28984 11.71124       25.80302 
1 1 1 -1  7  10 o 225.5358 17.96996 12.07379       1.890658  11.32846       2.778288  12.71667       2.580269  216.9734 27.86476 230.6876 24.13508 -13.71420      36.86390 
1 1 1 -1  7  11 o 242.3079 17.42194 13.91684       1.972535  17.60040       3.045399  11.25460       2.589013  271.8205 24.06608 216.5982 25.92551 55.22229       35.37384 
1 1 1 -1  7  12 o 1087.027 15.44085 278.3882       7.895526  276.1767       9.833019  282.4019       13.24681  1082.188 19.31590 1093.199 25.75983 -11.01111      32.19740 
1 1 1 -1  7  13 o 728.3590 12.64908 124.8792       4.333848  128.6443       6.292947  121.4824       5.977208  738.9368 18.10412 718.1002 17.69473 20.83661       25.31527 
1 1 1 -1  7  14 o 786.0076 15.59719 145.4617       5.766899  147.8381       6.971109  140.3092       10.26461  792.2202 18.70625 771.0349 28.30081 21.18524       33.92432 
1 1 1 -1  7  15 o 750.7649 13.54527 132.6703       4.783668  129.7921       6.799176  135.4916       6.731585  742.2789 19.47242 758.4376 18.86810 -16.15869      27.11421 
1 1 1 -1  7  16 o 1517.278 17.20925 542.1467       12.28277  529.4206       17.06843  555.8151       17.68912  1498.440 24.21501 1535.295 24.49318 -36.85425      34.44245 
1 1 1 -1  7  17 o 464.0146 18.85129 50.72606       4.114736  59.54222       8.137025  47.69712       4.769488  500.5297 34.77528 449.2146 22.64371 51.31512       41.49768 
1 1 1 -1  7  18 o 1174.002 15.89369 324.6097       8.777341  320.0478       12.28269  329.3705       12.54762  1164.949 22.41390 1181.772 22.57139 -16.82288      31.80960 
1 1 1 -1  7  19 o 906.8049 14.95719 193.6700       6.380185  202.7726       9.392920  185.8725       8.693504  927.1893 21.53589 887.7930 20.81679 39.39630       29.95219 
1 1 1 -1  7  20 o 577.7344 19.37031 78.71701       5.264221  80.79954       6.396502  74.34602       9.266950  584.9798 23.24515 558.6050 35.45018 26.37476       42.39165 
1 1 1 -1  7  21 o 736.8562 15.61872 127.9752       5.413740  128.2262       7.851642  127.7478       7.474632  736.7170 22.65638 735.4897 21.60448 1.227295       31.30600 
1 1 1 -1  7  22 o 582.3174 16.97762 80.00499       4.650567  73.96643       6.639685  85.82041       6.515853  558.8530 25.25694 602.3255 22.99697 -43.47253      34.15807 
1 1 1 -1  7  23 o 708.1050 19.34886 118.5479       6.444992  110.8205       11.47946  122.1049       7.788327  679.3932 36.04853 717.8665 23.06382 -38.47321      42.79528 
1 1 1 -1  7  24 o 228.0421 35.40752 12.77586       3.675036  16.76977       4.799717  7.116529       5.713459  260.4659 40.48872 173.2256 58.77868 87.24030       71.37415 
1 1 1 -1  7  25 o 284.3101 26.78699 19.47479       3.540261  17.41796       5.046913  21.46733       4.967403  264.1588 42.02311 295.7743 36.47536 -31.61551      55.64525 
1 1 1 -1  7  26 f 271.9955 33.63305 18.17976       4.211556  20.76520       5.000141  11.86683       7.813236  289.4783 37.60794 211.1892 68.65912 78.28909       78.28430 
1 1 1 -1  7  27 o 197.4284 36.95024 9.853791       3.305464  6.466031       4.848088  12.79666       4.518553  160.6194 54.14639 222.6068 44.70369 -61.98746      70.21575 
1 1 1 -1  7  28 o 251.8742 29.38256 15.61862       3.415880  16.02400       4.901312  15.23575       4.763214  248.9826 43.42724 242.7113 43.30821 6.271255       61.33128 
1 1 1 -1  7  29 o 339.3963 28.64849 28.28990       4.531064  10.28240       7.328879  39.43161       5.764836  191.2825 66.51166 399.7323 30.89824 -208.4498      73.33827 
1 1 1 -1  7  30 o 139.5065 46.99402 4.984411       3.651854  2.892357       4.584203  8.617718       6.041273  126.5063 50.68605 176.0891 60.43457 -49.58282      78.87594 
1 1 1 -1  7  31 o 370.7026 24.36818 33.57175       4.225630  32.25612       5.769488  35.09412       6.206275  356.5456 34.84496 371.1142 36.00418 -14.56860      50.10461 
1 1 1 -1  7  32 o 84.66218 38.64208 -1.473209      3.419237  -4.492439      4.480632  2.736551       5.290782  85.04945 40.52626 127.5525 53.14754 -42.50302      66.83591 
1 1 1 -1  7  33 o 85.64165 39.12579 -1.363785      3.515730  -3.745541      5.841924  -0.1135236E-01 4.402152  100.6019 47.44252 102.6967 45.60013 -2.094833      65.80399 
1 1 1 -1  7  34 f 236.0991 34.55681 14.82126       3.724315  13.27289       6.625816  15.53641       4.502995  195.8749 63.18670 235.5065 42.19694 -39.63156      75.98119 
1 1 1 -1  7  35 o 133.8449 48.31449 5.388386       3.897274  4.735435       5.391634  6.102854       5.639900  130.9598 54.03168 140.0844 56.18697 -9.124557      77.95125 
1 1 1 -1  7  36 o 101.9398 43.32341 1.999092       3.626352  2.335910       5.124048  1.661118       5.132836  112.0519 49.50216 108.7537 48.69899 3.298256       69.44102 
1 1 1 -1  9  1  o 667.2144 8.729857 104.7377       2.739945  111.7756       4.053522  98.81685       3.717927  689.1563 12.50390 647.9871 12.19734 41.16919       17.46776 
1 1 1 -1  9  2  o 766.2171 13.18287 138.1822       4.751505  145.8978       6.627826  130.0238       6.815384  787.0815 17.90120 742.9398 19.50147 44.14172       26.47188 
1 1 1 -1  9  3  o 361.0479 14.55843 30.68773       2.472571  32.78835       3.477693  28.54043       3.516112  372.5233 19.91795 347.3284 21.62784 25.19492       29.40218 
1 1 1 -1  9  4  f 322.7363 8.340674 24.50608       1.266247  24.85497       1.645598  23.99965       1.982609  324.9910 10.76423 319.3073 13.19954 5.683685       17.03222 
1 1 1 -1  9  5  o 1308.180 15.14888 402.9881       9.322178  397.4066       11.48017  413.7932       15.97293  1298.672 18.79228 1324.130 25.64393 -25.45825      31.79247 
1 1 1 -1  9  6  o 647.7260 10.24963 98.74265       3.122977  96.40310       5.090938  100.1542       3.954425  639.6473 16.91951 652.2159 12.88910 -12.56854      21.26967 
1 1 1 -1  9  7  o 396.3504 10.91502 36.98155       2.035041  36.79466       2.809407  37.18787       2.951837  395.1861 15.11276 397.2607 15.79601 -2.074646      21.86114 
1 1 1 -1  9  8  o 538.9707 12.82873 68.41891       3.252507  68.60403       3.784122  67.89537       6.363598  539.5673 14.90905 535.8315 25.24673 3.735779       29.32026 
1 1 1 -1  9  9  o 659.5361 10.98733 102.4141       3.408788  102.0772       4.918350  102.7254       4.728748  658.0848 15.88797 660.2282 15.22589 -2.143433      22.00580 
1 1 1 -1  9  10 o 743.1859 11.57559 130.0333       4.046783  128.3015       5.780647  131.6977       5.667073  737.8388 16.65504 747.5882 16.11488 -9.749390      23.17498 
1 1 1 -1  9  11 o 641.5010 14.01676 96.89754       4.229747  105.7372       8.179192  93.67058       4.941849  669.2261 25.98174 630.5853 16.66005 38.64087       30.86435 
1 1 1 -1  9  12 o 1207.370 14.31610 343.1766       8.130822  337.0311       11.38293  349.5786       11.61811  1195.965 20.23330 1218.019 20.27740 -22.05408      28.64540 
1 1 1 -1  9  13 o 859.5978 12.91452 173.9078       5.222072  172.6786       7.397011  175.1292       7.373297  856.2633 18.36452 862.3297 18.17687 -6.066345      25.83901 
1 1 1 -1  9  14 o 744.1306 13.02722 130.3242       4.560054  129.3363       6.534778  131.2619       6.366303  741.0419 18.74644 746.5710 18.12788 -5.529114      26.07775 
1 1 1 -1  9  15 o 226.4925 25.41085 12.24848       2.660644  16.90844       4.612957  9.925432       3.256992  264.6588 38.15544 201.9651 35.58234 62.69379       52.17222 
1 1 1 -1  9  16 o 614.5278 14.06445 88.90231       4.065683  93.14338       6.033975  85.37579       5.502233  628.7028 20.40275 601.9702 19.43098 26.73267       28.17508 
1 1 1 -1  9  17 o 222.2706 26.54875 11.82613       2.720917  11.22587       3.999981  12.34309       3.712046  214.0073 41.22919 225.5572 36.21056 -11.54985      54.87304 
1 1 1 -1  9  18 o 207.3479 29.04772 10.35699       2.755465  9.105385       4.006713  11.48011       3.795491  191.8342 45.15160 216.8168 38.63022 -24.98260      59.42189 
1 1 1 -1  9  19 o 415.0659 17.64091 40.60598       3.444350  45.29202       5.153364  36.82249       4.630564  437.1696 25.16573 394.0411 25.11258 43.12851       35.55215 
1 1 1 -1  9  20 o 529.1602 16.37122 66.00175       4.075094  66.24958       5.940347  65.78143       5.600741  529.5095 23.84892 527.7627 22.55992 1.746826       32.82866 
1 1 1 -1  9  21 o 604.5945 18.49780 86.26826       5.260823  94.50060       9.261764  82.34700       6.392111  630.8010 31.21275 590.1413 23.02602 40.65973       38.78703 
1 1 1 -1  9  22 o 365.1751 20.78662 31.63720       3.555940  28.34650       5.157248  34.61946       4.909604  343.4374 32.30237 380.8499 27.59163 -37.41245      42.48225 
1 1 1 -1  9  23 o 368.6600 21.08458 32.29621       3.641276  30.97735       5.334669  33.44666       4.982441  358.6459 31.95553 373.6212 28.56570 -14.97534      42.86205 
1 1 1 -1  9  24 o 428.9045 20.00366 43.61179       4.035891  39.47277       5.729934  47.68692       5.685547  404.9122 30.30259 446.2072 27.21748 -41.29504      40.73130 
1 1 1 -1  9  25 o 290.7313 25.46866 20.34212       3.447990  18.01377       5.000216  22.45300       4.760965  268.6504 40.85423 302.9866 33.99041 -34.33624      53.14524 
1 1 1 -1  9  26 o 131.1056 43.14264 4.151678       3.081490  3.318331       4.443779  4.923570       4.276786  132.2348 50.80948 144.9623 50.78585 -12.72752      71.83875 
1 1 1 -1  9  27 o 250.2642 28.64346 15.34215       3.311319  16.68421       4.900476  14.21451       4.491970  255.5472 42.24186 235.5422 42.08583 20.00502       59.62878 
1 1 1 -1  9  28 o 102.4823 41.50621 1.413841       3.110290  0.1160261      4.488066  2.613109       4.314306  108.8705 47.25000 123.8242 49.31940 -14.95370      68.30055 
1 1 1 -1  9  29 o 353.9118 26.49337 30.58206       4.378641  29.72526       5.534680  32.01546       7.158729  344.5049 34.62155 351.1137 44.33097 -6.608856      56.24844 
1 1 1 -1  9  30 o 238.8907 32.87608 14.40154       3.596554  12.09672       4.900064  17.09337       5.295513  209.5950 50.33299 252.9228 46.21222 -43.32777      68.32993 
1 1 1 -1  9  31 o 360.8052 23.70472 31.78371       4.000863  35.42842       5.792988  28.45981       5.532166  374.5902 33.22052 333.6504 35.80791 40.93988       48.84475 
1 1 1 -1  9  32 o 81.81601 38.10335 -2.414021      3.573392  -1.089477      5.845089  -3.204511      4.515503  111.8953 50.85897 90.03817 42.22496 21.85714       66.10281 
1 1 1 -1  9  33 o 294.5346 28.78284 21.99729       3.936886  20.52022       6.368160  22.91104       5.008699  263.0055 53.29856 293.9658 37.04339 -30.96033      64.90723 
1 1 1 -1  9  34 o 111.0640 45.65177 2.460013       3.831107  3.525565       5.076976  1.050832       5.838496  125.1570 52.09868 116.2149 51.99659 8.942169       73.60651 
1 1 1 -1  9  35 o 99.29747 45.85749 -0.8165874     5.013154  0.000000       0.000000  -0.8165874     5.013154  ?        ?        99.29747 45.85749 0.000000       45.85749 
1 1 1 -1  11 1  f 735.8704 9.378443 127.4391       3.246395  131.5248       4.675865  123.6368       4.510776  747.3467 13.30058 724.5940 13.23388 22.75269       18.76275 
1 1 1 -1  11 2  o 784.3375 9.558983 144.7867       3.526826  149.3854       5.098151  140.5660       4.884101  796.4296 13.60805 772.5748 13.43924 23.85480       19.12570 
1 1 1 -1  11 3  o 389.2126 10.21124 35.65765       1.869539  36.92289       2.114363  31.12366       4.002516  396.0212 11.34989 362.2507 23.61765 33.77048       26.20331 
1 1 1 -1  11 4  o 336.7875 17.80833 26.81892       2.811269  20.13674       3.528319  38.43639       4.652268  290.6705 26.08216 402.5373 24.68833 -111.8668      35.91369 
1 1 1 -1  11 5  o 812.3899 11.91316 155.4056       4.552613  158.8199       5.366609  146.6409       8.598263  821.0963 13.89430 787.8883 23.19940 33.20795       27.04189 
1 1 1 -1  11 6  o 540.9993 8.707659 68.87981       2.215988  69.02036       3.280562  68.76188       3.005264  541.3591 12.88230 540.4001 11.82219 0.9589233      17.48479 
1 1 1 -1  11 7  o 1278.664 13.54339 385.0535       8.146168  386.7824       11.65192  383.4004       11.39328  1280.661 19.34166 1275.110 18.99467 5.551025       27.10899 
1 1 1 -1  11 8  f 119.9367 22.64227 3.505204       1.230614  6.215815       2.421014  2.560858       1.428991  159.0838 33.41505 102.6167 28.55700 56.46703       43.95529 
1 1 1 -1  11 9  o 858.8456 11.46566 173.5998       4.632159  174.1138       6.666028  173.1199       6.441467  859.8209 16.48124 857.3981 15.97103 2.422791       22.95005 
1 1 1 -1  11 10 o 840.1249 11.77054 166.1025       4.651675  169.9527       6.814332  162.7428       6.365503  849.5385 17.05183 831.3679 16.27684 18.17059       23.57330 
1 1 1 -1  11 11 o 1410.191 15.57110 468.1585       10.32920  470.5236       14.60701  465.7929       14.60838  1413.108 21.97437 1405.973 22.08797 7.134766       31.15688 
1 1 1 -1  11 12 o 830.8663 14.84519 162.4996       5.802113  158.9774       10.90836  163.8892       6.851732  820.9453 28.24724 834.2825 17.45894 -13.33722      33.20724 
1 1 1 -1  11 13 o 758.3562 12.99624 135.3511       4.636180  129.3558       6.627925  141.0949       6.487430  741.1023 19.01210 774.0639 17.81667 -32.96161      26.05559 
1 1 1 -1  11 14 o 620.1177 16.85260 90.55041       4.915983  87.51487       7.045464  93.43045       6.862639  609.2376 24.58406 629.5780 23.17247 -20.34039      33.78371 
1 1 1 -1  11 15 f 724.1515 16.82409 123.4955       5.730999  127.5487       6.862150  114.1498       10.41989  735.7574 19.82697 695.0691 31.86880 40.68829       37.53304 
1 1 1 -1  11 16 o 936.3892 14.31814 206.4428       6.306848  204.3341       8.973472  208.5014       8.865960  931.0922 20.48795 940.5818 20.03826 -9.489685      28.65812 
1 1 1 -1  11 17 o 765.9771 15.96495 138.1985       5.752447  132.9136       7.241698  147.2354       9.469679  750.8336 20.50347 789.7349 25.49087 -38.90125      32.71355 
1 1 1 -1  11 18 o 344.0377 23.08548 28.06169       3.714410  28.37396       7.238605  27.95007       4.327608  341.9602 46.18098 342.8415 27.05381 -0.8812561     53.52188 
1 1 1 -1  11 19 o 583.9679 15.33747 80.35676       4.213201  77.02759       5.946227  83.71325       5.970580  571.1710 22.13126 595.5260 21.31309 -24.35504      30.72524 
1 1 1 -1  11 20 o 235.3631 30.66441 13.36250       3.314389  13.46909       5.713380  13.30843       4.069042  231.6881 53.50349 233.2832 38.41759 -1.595154      65.86755 
1 1 1 -1  11 21 o 881.1116 15.74171 183.1481       6.524574  182.8726       9.311036  183.4138       9.145473  879.0744 22.51661 880.4772 22.08100 -1.402832      31.53678 
1 1 1 -1  11 22 o 969.3563 16.03772 221.8653       7.312995  225.2000       10.56045  218.7927       10.13683  974.6125 23.03462 960.8464 22.42740 13.76605       32.14937 
1 1 1 -1  11 23 o 484.9367 20.53581 55.74476       4.684532  52.11117       6.065109  61.11772       7.375264  466.5772 27.75946 504.2824 31.24486 -37.70520      41.79508 
1 1 1 -1  11 24 o 407.3528 23.82384 39.66100       4.545232  38.02022       8.299939  40.36383       5.432165  390.4519 46.07730 409.6102 28.36708 -19.15829      54.10923 
1 1 1 -1  11 25 f 120.1489 42.40862 3.204190       2.986130  2.969941       4.357621  3.411578       4.100179  129.1593 50.12509 130.7122 49.13480 -1.552872      70.19083 
1 1 1 -1  11 26 o 289.4157 29.29911 20.44504       3.933875  15.73127       6.458072  23.22597       4.960361  241.4895 57.64888 306.3611 35.05077 -64.87151      67.46813 
1 1 1 -1  11 27 o 301.8044 25.77261 22.11590       3.623844  22.50528       5.168716  21.73946       5.082159  299.4030 37.52343 294.1704 37.58574 5.232574       53.11021 
1 1 1 -1  11 28 o 131.7334 44.14859 4.293942       3.222848  4.789852       4.457912  3.750957       4.664709  142.2463 51.62278 134.9044 51.99842 7.341919       73.27174 
1 1 1 -1  11 29 o 105.1780 45.18047 0.4726900      4.020823  -1.090933      4.663766  5.000000       7.935802  103.4730 46.37130 159.7779 65.69287 -56.30492      80.41051 
1 1 1 -1  11 30 o 368.4291 27.23343 33.38549       4.686374  38.76338       8.783090  31.24506       5.541039  378.2481 50.63340 352.2246 33.86002 26.02347       60.91175 
1 1 1 -1  11 31 o 360.7685 26.44228 32.12829       4.456160  29.31629       7.761961  33.51076       5.442416  323.2287 52.87852 364.5241 32.06545 -41.29535      61.84118 
1 1 1 -1  11 32 o 505.6573 21.58470 62.25860       5.134185  57.72890       8.364863  64.99649       6.503272  469.0959 38.24051 511.0210 27.15095 -41.92508      46.89894 
1 1 1 -1  11 33 o 87.00432 40.08106 -1.624949      3.795305  -1.262782      5.008111  -2.113555      5.817002  101.2112 46.40911 104.8387 48.75525 -3.627495      67.31181 
1 1 1 -1  11 34 o 69.96272 33.91696 -4.490491      3.465383  -4.872176      4.623477  -4.001189      5.234853  82.32271 39.72435 91.10188 43.51904 -8.779175      58.92309 
1 1 1 -1  11 35 o 102.4193 43.45050 1.904768       3.636771  -2.929549      4.783662  8.525565       5.598196  88.45117 42.07066 153.3803 57.46066 -64.92917      71.21564 
1 1 1 -1  13 1  o 862.7626 11.87184 175.2239       4.818133  186.0880       8.636023  170.3140       5.805675  888.3359 20.66652 850.4093 14.51294 37.92664       25.25332 
1 1 1 -1  13 2  o 572.8023 8.912748 77.20650       2.401517  75.86707       3.344836  78.63158       3.450128  567.6813 12.52567 577.9245 12.69097 -10.24316      17.83124 
1 1 1 -1  13 3  o 462.7466 11.79088 50.40383       2.566603  50.40383       2.566603  0.000000       0.000000  462.7466 11.79088 ?        ?        0.000000       11.79088 
1 1 1 -1  13 4  o 1324.009 20.35424 413.1755       12.67696  440.8442       18.91357  390.6064       17.08189  1366.057 29.43306 1286.091 28.23545 79.96570       40.78658 
1 1 1 -1  13 5  o 593.4465 10.74735 82.87641       3.000214  84.05910       3.419749  78.92391       6.251678  597.6217 12.16462 578.5798 22.97016 19.04187       25.99243 
1 1 1 -1  13 6  o 912.1383 13.07945 195.8233       5.612026  207.7980       6.867868  171.7598       9.735731  939.4781 15.54053 853.5320 24.24820 85.94617       28.80075 
1 1 1 -1  13 7  o 714.6405 10.74515 120.1717       3.612182  124.8811       6.091857  117.6181       4.485859  728.2352 17.78315 706.9187 13.48984 21.31653       22.32076 
1 1 1 -1  13 8  o 483.5018 9.280973 55.00054       2.110867  58.89507       3.406731  52.57355       2.689330  500.2187 14.47800 472.6638 12.09546 27.55484       18.86565 
1 1 1 -1  13 9  o 472.9331 10.25421 52.62520       2.281241  48.43857       3.369457  56.16835       3.099721  453.6201 15.79059 488.5310 13.48842 -34.91089      20.76729 
1 1 1 -1  13 10 o 668.4329 11.93361 105.1395       3.752313  113.8625       5.346245  96.67064       5.267770  695.4614 16.34205 640.7690 17.47656 54.69232       23.92682 
1 1 1 -1  13 11 o 1660.274 17.17841 649.0137       13.41628  641.1496       18.84452  657.0968       19.10513  1649.322 24.28904 1669.702 24.32437 -20.38062      34.37489 
1 1 1 -1  13 12 o 700.6349 17.56061 115.5938       5.787628  115.5938       5.787628  0.000000       0.000000  700.6349 17.56061 ?        ?        0.000000       17.56061 
1 1 1 -1  13 13 o 367.6588 15.05160 31.82280       2.603137  27.55268       3.819223  35.52769       3.557480  341.0232 23.96004 387.8545 19.56167 -46.83127      30.93125 
1 1 1 -1  13 14 o 1215.339 14.80925 347.7530       8.466423  336.7315       11.73917  359.6998       12.22209  1195.333 20.87753 1235.409 21.03127 -40.07593      29.63420 
1 1 1 -1  13 15 f 254.6184 30.42865 15.53573       3.572333  0.000000       0.000000  15.53573       3.572333  ?        ?        254.6184 30.42865 0.000000       30.42865 
1 1 1 -1  13 16 o 958.1243 20.14937 216.4244       9.081397  216.4244       9.081397  0.000000       0.000000  958.1243 20.14937 ?        ?        0.000000       20.14937 
1 1 1 -1  13 17 o 725.4714 14.40527 123.9614       4.915989  116.3739       6.798681  132.2755       7.116736  702.4083 20.57623 748.9001 20.20169 -46.49188      28.83556 
1 1 1 -1  13 18 o 308.2561 21.20622 22.53486       3.056288  13.76526       4.210246  32.30389       4.443685  237.4741 39.04714 368.7337 25.78117 -131.2596      46.79047 
1 1 1 -1  13 19 o 177.4387 40.15142 7.813592       3.273108  12.92806       6.752542  6.242867       3.742114  226.4976 61.70233 159.7129 46.79519 66.78470       77.44009 
1 1 1 -1  13 20 o 316.3786 21.54049 23.78265       3.186684  24.60506       4.752958  23.11106       4.295055  319.9227 32.01239 310.4234 29.77884 9.499298       43.72153 
1 1 1 -1  13 21 o 598.5022 18.16730 84.66411       5.114761  81.45066       8.493789  86.49228       6.406561  583.5083 31.05641 604.1328 22.54360 -20.62451      38.37596 
1 1 1 -1  13 22 o 121.3577 48.47870 1.998655       4.179951  1.998655       4.179951  0.000000       0.000000  121.3577 48.47870 ?        ?        0.000000       48.47870 
1 1 1 -1  13 23 o 167.7106 38.96098 7.093136       3.014984  7.958743       4.404612  6.329983       4.135741  176.6582 50.48242 159.5913 49.73209 17.06691       70.86435 
1 1 1 -1  13 24 o 413.4961 31.78169 41.49736       6.134521  54.81570       9.068623  30.26160       8.329475  470.7829 41.36950 343.0271 53.35422 127.7558       67.51376 
1 1 1 -1  13 25 o 177.0047 45.35099 8.124331       3.793115  6.548752       7.516501  8.662658       4.393582  172.8208 66.15769 181.9223 49.85925 -9.101425      82.84193 
1 1 1 -1  13 26 f 124.8626 42.87620 3.678350       3.041011  -0.2720650     4.390284  7.321815       4.216270  106.2550 46.41432 167.2140 49.84867 -60.95901      68.11152 
1 1 1 -1  13 27 o 353.3943 22.77434 30.10073       3.765790  25.43143       5.222942  35.15619       5.434627  319.2574 35.37252 378.3727 30.80111 -59.11530      46.90335 
1 1 1 -1  13 28 o 192.0092 50.51944 9.999573       4.624618  9.999573       4.624618  0.000000       0.000000  192.0092 50.51944 ?        ?        0.000000       50.51944 
1 1 1 -1  13 29 o 273.5262 27.74951 18.44546       3.521027  16.39230       4.957964  20.53466       5.001287  249.4571 43.85173 283.0195 38.57058 -33.56238      58.40089 
1 1 1 -1  13 30 o 118.8502 43.65886 3.254437       3.202463  0.1965210      4.496023  6.403651       4.562646  107.3516 46.92958 154.0239 52.52525 -46.67236      70.43641 
1 1 1 -1  13 31 o 114.9609 43.38557 2.971835       3.203588  -1.408145      5.340436  5.433956       4.004011  106.3740 48.45140 142.1483 49.17668 -35.77429      69.03538 
1 1 1 -1  13 32 o 298.7407 27.42836 22.43343       3.811414  24.31035       6.439196  21.42120       4.728770  292.7748 48.44951 285.4787 36.01458 7.296082       60.36890 
1 1 1 -1  13 33 f 141.1680 47.47536 5.820813       3.726986  4.845423       5.142995  6.899525       5.408533  134.8008 53.79876 149.9939 56.42260 -15.19302      77.96035 
1 1 1 -1  13 34 o 149.5628 46.89413 6.902584       3.670859  5.665874       4.991679  8.359097       5.417139  136.3270 53.44192 156.2426 56.87511 -19.91562      78.04369 
1 1 1 -1  15 1  o 886.8212 10.66602 185.0415       4.449467  199.0244       6.605776  173.4288       6.019940  919.5428 15.27153 858.3945 14.90857 61.14825       21.34210 
1 1 1 -1  15 2  o 1891.486 18.22788 842.3662       16.21842  893.7207       24.47852  802.1827       21.65311  1947.118 26.72536 1844.976 24.94941 102.1420       36.56115 
1 1 1 -1  15 3  o 1578.740 17.81541 586.8010       13.23048  599.0529       16.76738  566.5875       21.53693  1594.682 22.35228 1549.967 29.53875 44.71497       37.04271 
1 1 1 -1  15 4  o 846.2045 12.32518 168.4980       4.906119  176.5290       5.921830  150.9215       8.760638  866.0561 14.53586 800.3710 23.26886 65.68512       27.43594 
1 1 1 -1  15 5  f 979.0692 17.87395 225.6818       8.231958  241.2010       12.15056  212.5149       11.19193  1011.651 25.53266 949.6252 25.05437 62.02588       35.77203 
1 1 1 -1  15 6  o 492.9359 18.17917 57.20947       4.215352  58.85851       5.959990  55.55886       5.962828  499.0952 25.47070 484.7965 26.24483 14.29861       36.57250 
1 1 1 -1  15 7  f 1010.315 14.01678 240.2289       6.661539  239.1348       7.784202  243.2224       12.87639  1007.895 16.41835 1015.734 26.94913 -7.838928      31.55659 
1 1 1 -1  15 8  o 784.4883 10.79601 144.8040       3.983999  152.3046       5.844086  138.2917       5.445462  804.3862 15.44481 766.5029 15.10260 37.88336       21.60163 
1 1 1 -1  15 9  o 1166.424 13.08804 320.1944       7.181259  333.1678       10.76657  309.7972       9.638481  1189.404 19.24326 1147.032 17.86338 42.37158       26.25649 
1 1 1 -1  15 10 o 1033.227 15.32119 251.3120       7.446597  253.5513       8.875276  245.9869       13.68634  1037.634 18.18311 1021.119 28.49322 16.51483       33.80073 
1 1 1 -1  15 11 o 429.4450 11.20839 43.39849       2.264229  42.24529       3.638409  44.12736       2.892591  423.5234 18.26269 432.9698 14.20234 -9.446472      23.13509 
1 1 1 -1  15 12 o 734.3304 11.74743 126.9071       4.057923  125.4221       5.945072  128.2025       5.552555  729.7617 17.31836 737.8776 15.99702 -8.115906      23.57606 
1 1 1 -1  15 13 o 298.5777 19.75368 21.09909       2.758760  31.98573       6.868200  19.00474       3.012457  365.1049 40.68219 282.9871 22.82415 82.11777       46.64742 
1 1 1 -1  15 14 o 986.8330 13.53249 229.2760       6.281896  225.1916       8.952071  233.2383       8.817346  977.4841 19.46904 994.8597 18.84112 -17.37561      27.09301 
1 1 1 -1  15 15 o 854.9198 13.51963 172.0998       5.437001  170.1211       7.785542  173.9834       7.596117  849.4749 19.48359 859.1334 18.79584 -9.658569      27.07202 
1 1 1 -1  15 16 o 770.3978 19.41472 139.9740       7.035833  0.000000       0.000000  139.9740       7.035833  ?        ?        770.3978 19.41472 0.000000       19.41472 
1 1 1 -1  15 17 o 328.9333 19.29778 25.61663       2.972890  24.80755       4.295380  26.36054       4.118783  322.3902 28.62137 332.7327 26.53571 -10.34256      39.02982 
1 1 1 -1  15 18 f 137.1238 45.37156 4.319011       3.406399  3.640336       3.901566  6.495245       6.986512  133.7995 48.33447 177.2381 64.57926 -43.43857      80.66412 
1 1 1 -1  15 19 o 342.7602 21.30157 27.89591       3.417566  23.81094       5.803560  30.06445       4.228484  312.5422 40.42157 355.1831 25.47757 -42.64087      47.78085 
1 1 1 -1  15 20 o 168.8849 35.30111 7.080113       2.714150  8.777160       3.939583  5.546885       3.744611  186.6829 45.31786 151.2953 47.35073 35.38763       65.54235 
1 1 1 -1  15 21 o 314.4223 21.56420 23.55544       3.170178  22.40844       4.574578  24.61525       4.397294  304.1459 32.47635 319.6840 29.57640 -15.53806      43.92580 
1 1 1 -1  15 22 o 138.5996 40.44763 4.776471       2.800723  13.01503       4.092358  -2.481887      3.841203  228.4799 39.50586 88.66691 40.65239 139.8130       56.68623 
1 1 1 -1  15 23 o 232.0782 29.36728 13.13684       3.134282  12.60987       4.352920  13.70421       4.516703  223.0022 43.05479 232.7886 42.82486 -9.786469      60.72630 
1 1 1 -1  15 24 o 160.2097 49.03960 6.552143       4.041833  0.000000       0.000000  6.552143       4.041833  ?        ?        160.2097 49.03960 0.000000       49.03960 
1 1 1 -1  15 25 o 366.9469 20.96001 32.24105       3.602954  30.31317       5.130199  34.11742       5.061195  351.9487 31.31457 374.5559 28.95022 -22.60718      42.64642 
1 1 1 -1  15 26 o 219.7545 30.29293 11.94407       3.048231  11.79268       4.391338  12.08485       4.234630  212.4455 45.32399 216.0294 43.18065 -3.583984      62.60058 
1 1 1 -1  15 27 o 492.3446 20.80673 58.04264       4.818838  55.81216       6.233412  61.35553       7.596786  478.7476 27.79865 498.9267 32.54686 -20.17908      42.80261 
1 1 1 -1  15 28 f 543.4684 18.43450 70.58257       4.712756  71.57806       6.890074  69.70738       6.460348  542.4046 27.00419 536.1649 25.61464 6.239746       37.22011 
1 1 1 -1  15 29 o 161.8485 49.00651 7.137141       4.051719  9.212248       6.144864  5.541023       5.389204  179.9325 60.95788 150.0424 56.34497 29.89014       83.00975 
1 1 1 -1  15 30 o 234.1828 31.70868 13.91785       3.403204  19.73246       5.666549  10.63728       4.256312  269.4379 46.38177 196.1246 46.78907 73.31326       65.88236 
1 1 1 -1  15 31 o 87.77015 38.31680 0.4716165E-01  2.988044  -2.175089      4.862866  1.395153       3.787384  97.61524 45.11018 106.0455 44.62844 -8.430260      63.45570 
1 1 1 -1  15 32 o 64.27249 31.51559 -5.527905      3.243963  -6.795482      4.441432  -4.078478      4.749345  75.92434 37.15479 87.77086 41.79565 -11.84652      55.92275 
1 1 1 -1  15 33 o 267.2245 34.43552 19.13613       4.227931  12.98157       5.642975  27.01249       6.383700  197.1564 57.37797 304.5891 45.98628 -107.4327      73.53210 
1 1 1 -1  17 1  o 1341.007 16.14232 423.3040       10.18278  462.2474       19.21525  408.0971       12.00743  1400.054 29.17642 1316.464 19.38973 83.59045       35.03177 
1 1 1 -1  17 2  o 2077.657 19.89939 1016.543       19.44836  1092.407       29.76165  960.0037       25.69300  2152.213 29.39696 2017.988 27.06617 134.2247       39.95946 
1 1 1 -1  17 3  o 619.3221 9.412741 90.23917       2.742218  94.10590       3.960480  86.67827       3.800621  632.3624 13.31412 606.8939 13.31289 25.46851       18.82814 
1 1 1 -1  17 4  o 250.0582 12.29709 14.71418       1.446482  14.99538       1.536291  12.51784       4.293540  252.0938 12.99939 226.5122 41.83647 25.58162       43.80952 
1 1 1 -1  17 5  o 1071.216 19.02272 270.2230       9.585589  281.5696       13.91932  259.9881       13.21985  1092.792 27.07766 1050.108 26.76230 42.68445       38.07126 
1 1 1 -1  17 6  o 350.1360 33.48122 29.20928       5.447287  0.000000       0.000000  29.20928       5.447287  ?        ?        350.1360 33.48122 0.000000       33.48122 
1 1 1 -1  17 7  o 965.3443 19.17892 219.4772       8.709149  228.2402       12.65529  211.5934       12.00372  983.7426 27.34772 947.2268 26.93969 36.51575       38.38808 
1 1 1 -1  17 8  o 195.9732 39.26543 9.407618       3.493599  7.517836       4.796629  11.54281       5.098572  177.0338 53.25816 216.1677 50.97015 -39.13394      73.71830 
1 1 1 -1  17 9  o 1229.238 19.30849 355.9432       11.16487  355.9432       11.16487  0.000000       0.000000  1229.238 19.30849 ?        ?        0.000000       19.30849 
1 1 1 -1  17 10 f 1412.191 15.11933 469.5367       10.04374  440.4973       13.27416  508.4259       15.36130  1367.223 20.63947 1468.640 22.23532 -101.4169      30.33805 
1 1 1 -1  17 11 o 676.4037 14.30801 107.7172       4.552548  107.3430       5.198862  108.9477       9.427740  675.1238 16.37026 679.1541 29.51005 -4.030273      33.74653 
1 1 1 -1  17 12 o 855.5613 17.92128 172.4626       7.212560  180.6778       9.352148  160.4043       11.33036  875.2416 22.71507 823.9248 29.23391 51.31677       37.02156 
1 1 1 -1  17 13 o 1239.895 14.53793 362.0499       8.479237  334.8549       11.33548  396.5975       12.77629  1191.703 20.22101 1296.807 20.94403 -105.1040      29.11256 
1 1 1 -1  17 14 o 226.5473 21.76773 12.22208       2.291192  10.66885       6.004359  12.48679       2.478753  207.6839 58.80043 228.7984 23.35850 -21.11449      63.27013 
1 1 1 -1  17 15 o 361.5229 16.38465 30.80826       2.786392  34.61448       4.076404  27.47028       3.817439  382.1422 22.78036 340.1122 24.01490 42.03003       33.10075 
1 1 1 -1  17 16 o 182.0967 27.28674 8.025661       2.265359  10.10338       3.410445  6.385091       3.030508  202.8437 37.10965 160.4128 40.23227 42.43088       54.73355 
1 1 1 -1  17 17 o 417.5200 16.12427 41.12358       3.166845  38.62901       4.465398  43.64785       4.491909  403.2889 23.64158 428.9842 22.33697 -25.69528      32.52483 
1 1 1 -1  17 18 o 83.66474 35.75656 -0.3418282E-01 2.495467  -3.460167      4.131166  1.934124       3.131312  88.84607 41.24054 110.0240 42.54858 -21.17798      59.25507 
1 1 1 -1  17 19 o 359.9168 18.28798 30.70824       3.086080  28.48253       4.425274  32.81552       4.305926  344.8593 27.50788 370.8996 24.82305 -26.04028      37.05223 
1 1 1 -1  17 20 o 442.7388 17.47592 46.36712       3.639628  48.06165       5.377740  44.93491       4.943995  448.5978 25.59039 434.0381 24.31261 14.55969       35.29832 
1 1 1 -1  17 21 o 198.8264 31.14890 9.707619       2.817630  8.757202       3.958489  10.68366       4.011501  185.2381 45.70877 205.5271 42.87944 -20.28897      62.67327 
1 1 1 -1  17 22 o 388.2170 18.59925 35.75970       3.396560  29.19405       4.721605  42.80125       4.889727  347.4302 29.16005 422.6305 24.70295 -75.20032      38.21707 
1 1 1 -1  17 23 o 292.7336 23.63886 20.60792       3.227362  15.13250       4.566536  26.07206       4.561827  244.8731 41.10013 327.4494 29.94752 -82.57632      50.85346 
1 1 1 -1  17 24 o 411.8652 21.30757 40.58681       4.114047  38.07967       6.763330  42.05934       5.183267  392.2226 37.09771 417.3606 26.53903 -25.13797      45.61316 
1 1 1 -1  17 25 o 169.3669 38.33031 7.352650       2.982574  3.709650       4.214869  11.00648       4.221132  132.8576 49.84151 205.6249 44.89854 -72.76729      67.08244 
1 1 1 -1  17 26 o 208.9837 33.17546 10.94345       3.152388  10.89589       4.637048  10.98432       4.298479  202.1171 49.22839 204.3105 45.85156 -2.193390      67.27406 
1 1 1 -1  17 27 o 421.8981 19.81333 42.59958       3.932189  42.46074       5.655054  42.72954       5.471403  416.2046 29.06672 418.1427 27.97809 -1.938141      40.34412 
1 1 1 -1  17 28 o 180.9876 36.21409 8.464056       2.975518  7.420985       4.298498  9.423702       4.123022  165.1506 50.57615 186.4427 47.01908 -21.29210      69.05607 
1 1 1 -1  17 29 o 191.2964 36.74267 9.545230       3.186162  7.648633       4.907675  10.92703       4.189008  165.2991 54.44826 200.2449 45.50462 -34.94579      70.95973 
1 1 1 -1  17 30 o 122.6248 42.32034 3.844613       2.964482  3.983353       4.827901  3.760643       3.755923  132.6647 52.38285 125.3357 47.04388 7.329063       70.40659 
1 1 1 -1  17 31 o 167.8450 40.03006 7.762498       3.116194  3.906065       5.083834  10.08349       3.943986  130.9260 53.05143 188.4720 45.09030 -57.54594      69.62463 
1 1 1 -1  17 32 o 89.77134 42.48923 -3.305589      4.764481  0.000000       0.000000  -3.305589      4.764481  ?        ?        89.77134 42.48923 0.000000       42.48923 
1 1 1 -1  19 1  o 693.6218 11.91976 113.2178       3.889193  126.4269       7.220238  107.8187       4.616096  732.5630 20.95257 676.7953 14.49934 55.76770       25.48021 
1 1 1 -1  19 2  o 180.0728 18.11156 7.713062       1.513359  6.558519       1.929219  9.560048       2.440103  164.8324 25.72096 199.5883 26.65597 -34.75600      37.04198 
1 1 1 -1  19 3  o 166.9932 16.33752 6.628461       1.266938  6.368627       1.778875  6.895939       1.804849  162.6398 23.97012 169.4804 23.25156 -6.840591      33.39464 
1 1 1 -1  19 4  o 734.5057 12.07196 126.9640       4.171020  127.0712       4.753606  126.6052       8.695414  734.7526 13.75349 732.7556 25.22678 1.996948       28.73236 
1 1 1 -1  19 5  f 539.4204 26.71919 68.63853       6.779850  0.000000       0.000000  68.63853       6.779850  ?        ?        539.4204 26.71919 0.000000       26.71919 
1 1 1 -1  19 6  o 520.1977 19.46761 63.75071       4.763766  68.54935       6.917962  59.42331       6.569501  538.2979 27.41105 501.0223 27.98629 37.27554       39.17395 
1 1 1 -1  19 7  o 2044.809 29.39120 987.3113       28.27088  1079.073       43.74939  921.5221       37.04413  2132.695 43.60879 1972.234 39.92929 160.4602       59.12761 
1 1 1 -1  19 8  o 746.6215 26.75104 131.5696       9.395297  131.5696       9.395297  0.000000       0.000000  746.6215 26.75104 ?        ?        0.000000       26.75104 
1 1 1 -1  19 9  o 771.0652 19.89755 140.1304       7.217055  140.1011       10.13863  140.1605       10.27566  770.1957 27.98394 770.3163 28.35773 -0.1206055     39.84045 
1 1 1 -1  19 10 o 1424.116 15.16757 477.6535       10.16087  476.4717       11.34108  482.4614       22.87529  1422.116 16.95313 1427.401 34.06838 -5.284546      38.05342 
1 1 1 -1  19 11 o 1028.398 13.03696 249.0246       6.306768  258.2924       9.301072  241.1369       8.580657  1046.724 18.88998 1011.469 18.03427 35.25458       26.11640 
1 1 1 -1  19 12 o 932.5152 15.32779 204.8833       6.723646  200.2183       7.680509  220.1843       13.90997  921.5687 17.71712 964.1962 30.66842 -42.62750      35.41819 
1 1 1 -1  19 13 o 1159.696 18.84584 317.2757       10.28085  0.000000       0.000000  317.2757       10.28085  ?        ?        1159.696 18.84584 0.000000       18.84584 
1 1 1 -1  19 14 o 336.8496 13.36721 26.73430       2.118099  33.56868       3.725139  23.46909       2.574830  376.3817 21.12535 314.9371 17.44838 61.44464       27.39939 
1 1 1 -1  19 15 o 762.5828 14.66618 137.1089       5.261063  132.6100       11.25247  138.3675       5.951644  746.5664 32.04130 765.8257 16.52105 -19.25934      36.04982 
1 1 1 -1  19 16 o 625.8537 12.71591 92.31944       3.743599  88.64032       5.596521  95.29873       5.036198  612.4034 19.42724 635.3707 16.85025 -22.96722      25.71670 
1 1 1 -1  19 17 o 416.5160 14.37567 40.92984       2.816625  35.92551       4.317847  44.63663       3.716146  388.4855 23.74175 434.5679 18.17883 -46.08237      29.90218 
1 1 1 -1  19 18 o 162.0452 39.62523 6.587577       2.995343  5.803625       3.378097  9.470869       6.478456  152.8047 44.37244 194.9563 62.43719 -42.15163      76.59841 
1 1 1 -1  19 19 o 671.0701 14.32755 106.3493       4.522819  100.0373       6.500658  112.2713       6.296682  649.2690 21.28449 688.3303 19.44669 -39.06122      28.83060 
1 1 1 -1  19 20 o 98.81952 42.54848 -0.7574317E-01 3.581675  0.000000       0.000000  -0.7574317E-01 3.581675  ?        ?        98.81952 42.54848 0.000000       42.54848 
1 1 1 -1  19 21 o 94.81972 39.33484 0.6977238      2.879872  3.831748       6.671610  -0.1997070E-01 3.192635  153.1234 61.21867 93.62460 40.23969 59.49883       73.25953 
1 1 1 -1  19 22 o 572.9685 15.73663 77.75742       4.241426  66.38117       5.895993  89.95885       6.106085  527.0425 23.78165 614.5692 21.12140 -87.52661      31.80693 
1 1 1 -1  19 23 o 263.4479 25.75707 16.80656       3.151148  13.27884       5.156325  18.90942       3.981056  225.2442 49.97208 277.8892 30.98234 -52.64500      58.79723 
1 1 1 -1  19 24 o 266.6422 31.66218 17.50581       3.893743  18.20905       4.467998  15.28538       7.939250  270.2932 36.03846 233.1982 68.11318 37.09502       77.05956 
1 1 1 -1  19 25 o 190.1734 33.39394 9.091856       2.878364  13.70782       4.313345  5.386111       3.864746  231.2529 41.15997 146.3624 48.32290 84.89046       63.47634 
1 1 1 -1  19 26 o 451.8494 18.27214 48.71035       3.883760  46.66771       5.470755  50.78574       5.514440  438.0451 26.67677 457.5454 25.72549 -19.50027      37.06010 
1 1 1 -1  19 27 o 276.6020 57.74569 21.45065       7.270870  21.45065       7.270870  0.000000       0.000000  276.6020 57.74569 ?        ?        0.000000       57.74569 
1 1 1 -1  19 28 o 96.30554 38.22036 1.528357       2.582375  1.049448       3.534208  2.076914       3.782478  102.8479 43.18781 113.0548 45.77773 -10.20692      62.93478 
1 1 1 -1  19 29 o 218.4307 31.40708 12.15938       3.134276  8.038051       4.800434  15.22180       4.138034  167.1720 53.76805 240.9972 37.74039 -73.82529      65.69125 
1 1 1 -1  19 30 o 80.14474 37.55912 -2.627211      3.562128  -2.052616      4.480144  -3.614745      5.873363  93.65258 43.28587 101.4014 47.74385 -7.748848      64.44487 
1 1 1 -1  21 1  f 527.7090 10.53553 65.53401       2.615292  67.36481       3.630554  63.55925       3.770583  534.9009 14.42880 519.5342 15.42855 15.36670       21.12416 
1 1 1 -1  21 2  o 929.3228 12.90243 203.2993       5.640368  210.5185       7.255324  192.2711       8.967299  945.4425 16.31370 903.1324 21.10770 42.31006       26.67718 
1 1 1 -1  21 3  o 1393.152 14.47904 456.9893       9.488718  468.5602       13.64378  446.1506       13.20512  1409.902 20.57200 1375.798 20.40414 34.10413       28.97475 
1 1 1 -1  21 4  o 442.8480 8.819445 46.14554       1.837237  46.21021       2.525641  46.07286       2.677495  443.0761 12.11781 442.3950 12.86616 0.6811218      17.67426 
1 1 1 -1  21 5  o 1390.666 22.44101 456.1562       14.68029  494.3520       22.09764  425.9810       19.64096  1445.481 32.49856 1342.137 31.10977 103.3446       44.98860 
1 1 1 -1  21 6  o 481.4293 21.29869 54.66127       4.823416  52.31867       6.602469  57.34245       7.063528  469.4263 30.05776 491.4370 30.70910 -22.01062      42.97113 
1 1 1 -1  21 7  o 348.1271 26.32447 28.79254       4.279034  24.88704       5.631860  34.12604       6.581428  321.6356 37.95480 377.3874 37.57301 -55.75186      53.40691 
1 1 1 -1  21 8  o 1315.646 22.58040 408.5671       13.97462  406.9560       19.62050  410.2260       19.90886  1310.755 31.82139 1315.911 32.16254 -5.155762      45.24412 
1 1 1 -1  21 9  o 180.7288 45.08064 8.104599       3.819764  14.01903       5.583569  2.901605       5.236996  237.3363 51.49290 139.9842 54.77687 97.35213       75.17995 
1 1 1 -1  21 10 o 876.9209 20.73595 181.5239       8.553694  183.4126       12.14861  179.6671       12.04555  879.8755 29.35189 870.8337 29.40506 9.041809       41.54745 
1 1 1 -1  21 11 o 548.8592 22.62202 71.19347       5.840655  68.60880       7.948449  74.22712       8.611165  536.6769 31.62451 557.9951 32.95287 -21.31818      45.67276 
1 1 1 -1  21 12 o 539.9238 20.19129 68.85782       5.128212  0.000000       0.000000  68.85782       5.128212  ?        ?        539.9238 20.19129 0.000000       20.19129 
1 1 1 -1  21 13 o 145.1853 33.62228 5.220785       2.251059  6.547588       2.420846  -3.255054      6.118643  163.0132 32.70745 115.0034 52.18057 48.00982       61.58400 
1 1 1 -1  21 14 o 529.0149 10.97592 65.92657       2.731354  59.85252       4.210680  70.33907       3.588847  503.4117 17.78114 546.1649 13.96889 -42.75323      22.61192 
1 1 1 -1  21 15 o 1030.736 13.41194 250.5441       6.502917  230.6993       8.911277  273.1499       9.511021  987.7093 19.17969 1074.858 18.81078 -87.14874      26.86458 
1 1 1 -1  21 16 f 305.5725 15.53217 22.10612       2.225277  17.87456       6.829436  22.60874       2.353729  264.1964 56.65306 308.9403 16.25334 -44.74393      58.93845 
1 1 1 -1  21 17 f 195.8901 19.18678 9.172742       1.745309  6.815211       3.392559  10.02126       2.035300  164.3951 43.27736 204.4363 21.48561 -40.04124      48.31730 
1 1 1 -1  21 18 o 325.3644 15.32927 25.02178       2.346178  23.10245       3.879024  26.12897       2.946167  309.9547 26.87035 331.5235 18.97059 -21.56885      32.89223 
1 1 1 -1  21 19 o 109.6878 43.36164 1.779984       3.311841  1.779984       3.311841  0.000000       0.000000  109.6878 43.36164 ?        ?        0.000000       43.36164 
1 1 1 -1  21 20 o 214.2918 23.27598 11.07251       2.308567  9.148884       3.747505  12.24896       2.930677  189.3238 43.05233 224.2424 28.42097 -34.91859      51.58735 
1 1 1 -1  21 21 o 489.2919 14.78938 56.64712       3.403983  50.63687       5.063165  61.60431       4.598264  459.9516 23.47954 509.2114 19.19670 -49.25977      30.32824 
1 1 1 -1  21 22 o 251.2684 25.88190 15.29712       3.015392  8.064804       6.351761  17.40130       3.426077  179.1727 61.94089 267.6397 27.60959 -88.46700      67.81566 
1 1 1 -1  21 23 o 212.2790 27.74286 11.03739       2.704035  14.23739       4.100412  8.574873       3.597012  237.9081 37.91191 182.1407 42.72095 55.76733       57.11736 
1 1 1 -1  21 24 o 196.9548 30.79067 9.644526       2.759291  11.68987       4.236706  8.137885       3.636217  212.1466 43.90160 176.4770 43.96429 35.66962       62.13059 
1 1 1 -1  21 25 o 175.8519 47.49097 8.241683       4.020778  8.241683       4.020778  0.000000       0.000000  175.8519 47.49097 ?        ?        0.000000       47.49097 
1 1 1 -1  21 26 o 142.8537 36.74939 5.300304       2.483662  5.092256       3.467827  5.519412       3.558797  140.5756 45.74354 145.4067 46.24561 -4.831146      65.04711 
1 1 1 -1  21 27 o 216.2381 27.49898 11.62370       2.733893  8.268106       3.805120  15.20416       3.930546  174.2474 45.81520 243.8547 35.29134 -69.60733      57.83175 
1 1 1 -1  21 28 o 112.0807 44.52118 2.366738       3.506918  0.000000       0.000000  2.366738       3.506918  ?        ?        112.0807 44.52118 0.000000       44.52118 
1 1 1 -1  21 29 f 306.8366 23.80844 23.23616       3.409522  23.58799       5.642556  23.03382       4.279052  295.6191 41.73747 300.9498 30.65421 -5.330688      51.78510 
1 1 1 -1  23 1  o 286.7806 14.52100 19.42345       1.952529  18.97379       2.366012  20.38347       3.457143  283.1326 17.85616 292.6060 25.36784 -9.473450      31.02209 
1 1 1 -1  23 2  o 988.0562 13.97555 229.9537       6.495607  243.9655       11.85141  223.9372       7.765951  1016.114 24.79468 974.7097 16.93753 41.40430       30.02759 
1 1 1 -1  23 3  o 355.8486 15.11776 29.83564       2.530591  0.000000       0.000000  29.83564       2.530591  ?        ?        355.8486 15.11776 0.000000       15.11776 
1 1 1 -1  23 4  o 767.9455 11.27132 138.8486       4.071689  142.1819       6.377756  136.5553       5.290051  776.5571 17.45924 761.2996 14.77185 15.25745       22.86990 
1 1 1 -1  23 5  o 835.2491 18.98247 164.5811       7.458268  175.0595       10.60077  154.3104       10.49519  860.2581 26.19627 807.4092 27.63295 52.84882       38.07656 
1 1 1 -1  23 6  o 775.2980 19.62790 141.8570       7.158331  145.4519       9.907685  137.9310       10.35387  783.9003 26.86841 762.9960 28.84768 20.90436       39.42208 
1 1 1 -1  23 7  o 443.9823 24.42433 46.76040       5.081410  39.47682       6.487318  58.32343       8.173882  406.0609 34.28342 493.8528 35.42058 -87.79199      49.29473 
1 1 1 -1  23 8  o 218.3156 40.50521 11.74209       4.006570  13.87634       5.441598  9.215220       5.921003  235.6164 50.60686 193.9232 59.35398 41.69316       77.99968 
1 1 1 -1  23 9  o 849.4320 29.93739 171.3436       11.96222  0.000000       0.000000  171.3436       11.96222  ?        ?        849.4320 29.93739 0.000000       29.93739 
1 1 1 -1  23 11 f 409.6425 27.00911 40.00178       5.175362  32.19382       6.805005  50.71344       7.970544  364.1215 40.41106 458.8921 37.24530 -94.77057      54.95695 
1 1 1 -1  23 12 o 393.4436 27.52651 36.96558       5.062419  37.12842       6.866757  36.77170       7.492826  391.7574 37.72841 388.6944 41.62698 3.063019       56.18041 
1 1 1 -1  23 13 o 657.6479 13.49767 102.0074       4.175625  101.5081       4.528075  104.8454       10.79529  655.8707 14.67662 660.6929 34.85822 -4.822205      37.82193 
1 1 1 -1  23 14 o 340.6242 13.99679 27.37896       2.242710  24.12003       2.766567  33.62542       3.830190  318.7875 18.52884 376.0018 21.74801 -57.21429      28.57085 
1 1 1 -1  23 15 o 413.5454 11.68847 40.32529       2.273789  37.58623       3.526104  42.27499       2.974942  398.4589 18.81232 423.0874 14.94786 -24.62854      24.02794 
1 1 1 -1  23 16 o 290.3396 12.73218 19.89132       1.738915  23.22830       3.587978  18.86688       1.987996  311.4172 24.69530 282.1893 15.03051 29.22791       28.90976 
1 1 1 -1  23 17 o 319.6877 12.84313 24.12375       1.931373  15.42046       3.390529  28.30442       2.349899  252.1603 29.11933 346.1202 14.43288 -93.95995      32.49990 
1 1 1 -1  23 18 o 256.0277 14.72466 15.54567       1.765908  17.51995       3.335066  14.77649       2.081674  269.4595 26.66106 249.0968 17.88445 20.36267       32.10398 
1 1 1 -1  23 19 o 525.6266 12.86692 65.25079       3.181422  57.98135       4.869642  70.66409       4.202205  493.8039 20.96396 546.3044 16.35209 -52.50058      26.58718 
1 1 1 -1  23 20 o 197.2084 34.25179 9.682908       3.062162  10.10464       3.433620  8.043996       6.768764  200.4706 37.79716 181.2677 63.86330 19.20287       74.21015 
1 1 1 -1  23 21 o 136.9351 31.32512 4.711362       1.974027  2.326475       3.448609  5.873598       2.407450  115.2443 44.62859 152.5152 34.37858 -37.27088      56.33470 
1 1 1 -1  23 22 o 354.7740 16.34199 29.86598       2.727256  23.81519       4.119636  34.58676       3.638809  312.8988 28.29500 380.3260 20.41381 -67.42712      34.89027 
1 1 1 -1  23 23 o 573.4072 39.42018 82.13437       10.56829  82.13437       10.56829  0.000000       0.000000  573.4072 39.42018 ?        ?        0.000000       39.42018 
1 1 1 -1  23 24 f 261.4989 22.85993 16.55635       2.783733  10.66041       3.619378  25.09513       4.355670  203.4642 39.23823 319.6805 29.29040 -116.2163      48.96495 
1 1 1 -1  23 25 o 173.7536 30.26384 7.602592       2.383698  3.717541       3.309749  11.78946       3.435905  125.3303 44.60342 215.2043 35.15473 -89.87399      56.79190 
1 1 1 -1  23 26 o 103.7423 39.44488 2.171971       2.660619  1.608680       3.029347  4.072533       5.564467  102.0185 41.08706 140.0317 55.93569 -38.01321      69.40423 
1 1 1 -1  23 27 o 153.2251 36.58349 6.216751       2.600408  4.081451       4.077106  7.681068       3.376293  130.5117 49.00869 167.8930 42.66264 -37.38135      64.97655 
1 1 1 -1  25 1  o 589.4532 10.58690 81.81770       2.935537  90.43906       4.246632  73.92799       4.062444  619.4067 14.57469 559.9440 15.42316 59.46271       21.22017 
1 1 1 -1  25 2  o 347.4710 14.08442 28.45697       2.302114  32.99644       4.346612  26.68713       2.714032  372.5067 24.94968 335.8798 17.23561 36.62686       30.32413 
1 1 1 -1  25 3  o 469.6144 9.765821 51.92425       2.157345  50.63350       2.958967  53.38898       3.152073  463.5183 13.57075 475.9274 14.07947 -12.40909      19.55497 
1 1 1 -1  25 4  o 835.2435 14.67035 164.4770       5.763985  164.4770       5.763985  0.000000       0.000000  835.2435 14.67035 ?        ?        0.000000       14.67035 
1 1 1 -1  25 5  o 207.1083 38.24089 10.56920       3.588343  15.78775       4.927887  4.678954       5.235431  253.1268 42.91932 152.4842 55.85115 100.6427       70.43734 
1 1 1 -1  25 6  o 849.2306 27.71712 171.1950       11.07243  171.1950       11.07243  0.000000       0.000000  849.2306 27.71712 ?        ?        0.000000       27.71712 
1 1 1 -1  25 7  o 739.7012 20.16457 129.3545       7.016406  130.6481       9.713112  127.9429       10.14646  741.6718 27.84052 733.5417 29.40495 8.130127       40.49377 
1 1 1 -1  25 8  o 257.7683 34.40179 16.14082       4.067270  15.94828       5.395831  16.39417       6.189476  252.9294 47.08395 254.8260 53.34596 -1.896637      71.15258 
1 1 1 -1  25 9  o 275.8048 34.45653 18.45965       4.372828  23.67123       6.198649  13.29667       6.169677  310.2812 43.67801 228.1548 57.50548 82.12640       72.21252 
1 1 1 -1  25 10 o 152.6182 48.86793 5.588701       3.968712  12.75862       5.527033  -2.043104      5.702280  223.8919 53.25465 115.0250 51.43089 108.8669       74.03509 
1 1 1 -1  25 11 o 493.6584 24.32452 57.86568       5.648592  48.39477       7.492984  70.33294       8.596953  447.6292 35.88675 540.8193 33.96519 -93.19003      49.41146 
1 1 1 -1  25 12 o 137.8459 55.85639 2.347800       5.635749  2.347800       5.635749  0.000000       0.000000  137.8459 55.85639 ?        ?        0.000000       55.85639 
1 1 1 -1  25 13 o 165.2595 49.61811 6.810842       4.166386  -0.2081748     5.375740  17.36921       6.593233  120.0264 51.90159 260.1018 55.57432 -140.0754      76.04131 
1 1 1 -1  25 14 o 550.4501 24.91749 72.12108       6.451960  74.73247       8.903277  69.23306       9.362967  556.4498 34.17918 534.1199 37.50311 22.32996       50.74149 
1 1 1 -1  25 15 o 318.5653 11.00448 23.92813       1.649063  24.15345       1.696406  20.05945       7.029308  320.0425 11.26815 279.2148 55.47379 40.82779       56.60665 
1 1 1 -1  25 16 o 141.0381 33.32100 4.977291       2.175530  5.078836       2.311321  4.188467       6.441995  142.3257 34.81087 154.8359 60.70749 -12.51015      69.97997 
1 1 1 -1  25 17 o 262.0559 14.45838 16.27937       1.775412  15.13103       2.897583  16.96963       2.246508  250.6528 24.90477 267.0102 17.99075 -16.35738      30.72319 
1 1 1 -1  25 18 o 347.7581 13.59867 28.57709       2.224555  22.62188       3.899264  31.45066       2.708601  306.0978 27.36900 364.5280 15.79592 -58.43011      31.60020 
1 1 1 -1  25 19 o 207.0157 17.64759 10.23834       1.702124  4.467885       3.084658  12.76457       2.040979  135.0306 43.06648 231.0645 18.94402 -96.03391      47.04889 
1 1 1 -1  25 20 o 172.4135 19.92338 7.167037       1.586103  8.097952       3.272850  6.881290       1.813264  177.9953 40.05610 168.0707 23.58425 9.924561       46.48342 
1 1 1 -1  25 21 o 84.64668 37.34568 -0.6201609     2.906948  -1.202438      3.515219  0.6394174      5.170116  89.90788 40.27765 120.0019 51.38136 -30.09400      65.28654 
1 1 1 -1  25 22 o 140.1904 29.35229 4.940669       1.873589  4.705438       3.065635  5.080914       2.367112  136.4767 42.86465 140.9109 35.67626 -4.434204      55.76893 
1 1 1 -1  25 23 o 199.7018 29.89724 9.933010       2.722169  9.967813       3.090986  9.812724       5.746465  198.3777 34.36847 188.3933 58.60797 9.984451       67.94178 
1 1 1 -1  25 24 o 235.4102 39.02661 14.30786       4.170326  22.26219       6.312674  8.148039       5.555148  288.7691 48.16908 172.3549 57.96120 116.4142       75.36419 
1 1 1 -1  25 25 o 103.9723 44.30137 0.7871694      3.809759  1.983353       5.348642  -0.4447087     5.427857  125.3637 52.91138 113.1518 50.41550 12.21193       73.08445 
1 1 1 -1  27 1  o 413.0655 11.26511 40.20023       2.188889  42.13202       3.079716  38.22817       3.111644  422.5482 15.49405 402.4139 16.43795 20.13437       22.58920 
1 1 1 -1  27 2  o 385.3216 11.06313 34.97981       2.005259  33.67125       2.714837  36.55085       2.974670  377.7575 15.27782 393.5122 16.06983 -15.75470      22.17321 
1 1 1 -1  27 3  o 635.4828 11.11714 95.14730       3.323274  100.6243       5.370742  91.74921       4.230402  652.6872 17.49282 623.6650 14.41986 29.02216       22.67005 
1 1 1 -1  27 4  o 293.1680 24.82337 20.53423       3.391162  22.84780       4.754831  18.13912       4.837902  307.5170 33.40715 272.2291 38.88409 35.28784       51.26413 
1 1 1 -1  27 5  o 171.0435 40.58147 7.320063       3.215959  5.431035       4.354470  9.586802       4.769984  152.9350 51.31708 194.6723 51.34917 -41.73727      72.59601 
1 1 1 -1  27 6  o 519.9211 20.56311 63.98289       5.029160  60.01784       6.578293  69.56005       7.801820  501.4511 27.99968 539.1288 30.89210 -37.67770      41.69297 
1 1 1 -1  27 7  o 287.5581 30.59100 19.94273       4.074441  23.63556       5.562837  15.66885       5.984502  311.1465 38.85374 248.4852 52.82570 62.66130       65.57566 
1 1 1 -1  27 8  o 620.8733 21.66720 91.34802       6.328124  94.02498       8.833238  88.52557       9.070101  627.7862 29.91155 607.7933 31.83465 19.99292       43.68232 
1 1 1 -1  27 9  o 125.9699 54.33813 -0.1143876     5.863256  0.000000       0.000000  -0.1143876     5.863256  ?        ?        125.9699 54.33813 0.000000       54.33813 
1 1 1 -1  27 10 o 288.2594 34.22771 20.19723       4.550506  27.46136       6.410902  12.82105       6.460155  334.4167 41.65624 222.7782 60.21135 111.6385       73.21645 
1 1 1 -1  27 11 o 378.1942 27.75471 34.27900       4.903173  26.08799       6.200530  47.94888       8.010184  325.7298 41.40255 444.0469 38.73603 -118.3170      56.69790 
1 1 1 -1  27 12 o 335.0641 31.46894 27.11745       4.901859  18.84364       6.154772  41.46849       8.105896  273.0752 49.74662 411.0158 42.54080 -137.9406      65.45567 
1 1 1 -1  27 13 o 250.9102 39.76250 15.60561       4.536633  15.29429       5.833434  16.08205       7.216562  244.3082 52.33579 247.6147 62.07409 -3.306534      81.19254 
1 1 1 -1  27 14 o 451.2654 26.87592 48.78812       5.679276  50.20809       7.692504  47.08680       8.420144  454.4470 36.28707 437.8864 41.36798 16.56052       55.02783 
1 1 1 -1  27 15 o 192.8456 48.29313 9.549531       4.371258  8.139121       5.765372  11.45660       6.704059  180.4859 58.99360 209.3268 62.96100 -28.84085      86.28055 
1 1 1 -1  27 16 o 290.6680 35.97536 20.77698       4.813885  15.04459       6.294199  28.85553       7.472048  239.3271 56.76697 337.9294 48.38617 -98.60226      74.59028 
1 1 1 -1  27 17 o 445.1833 10.60502 46.75354       2.220852  46.75354       2.220852  0.000000       0.000000  445.1833 10.60502 ?        ?        0.000000       10.60502 
1 1 1 -1  27 18 o 313.6903 31.28626 24.01946       4.555031  22.84780       6.438898  25.19322       6.444679  299.0969 47.34076 315.6628 44.64748 -16.56592      65.07338 
1 1 1 -1  27 19 o 177.2353 47.94928 8.209683       4.094479  6.938169       5.881428  9.405471       5.703601  168.2308 59.50227 188.2985 58.35787 -20.06772      83.34364 
1 1 1 -1  27 20 o 78.29588 38.61747 -10.26457      5.108572  0.000000       0.000000  -10.26457      5.108572  ?        ?        78.29588 38.61747 0.000000       38.61747 
1 1 1 -1  27 21 o 154.6281 48.04609 6.225036       3.863230  12.05708       5.720033  1.333532       5.238532  209.2984 56.69475 123.5716 52.27076 85.72675       77.11372 
1 1 1 -1  27 22 o 189.1248 46.90876 9.589979       4.152940  8.662308       6.086006  10.39834       5.681159  178.1850 60.66377 192.9194 57.94396 -14.73436      83.89038 
1 1 1 -1  27 23 o 123.5126 47.56568 3.163952       3.900630  -3.894174      5.274178  11.68549       5.795209  97.69682 45.75845 202.0890 57.95523 -104.3922      73.84203 
1 1 1 -1  29 1  f 405.1118 11.41233 38.67655       2.174796  35.21627       2.865911  43.37449       3.339338  386.2179 15.77470 428.5425 16.56522 -42.32458      22.87460 
1 1 1 -1  29 2  o 684.1825 10.52217 110.2854       3.386463  123.9974       5.028565  98.90560       4.581024  724.8788 14.74720 647.3517 15.04364 77.52704       21.06634 
1 1 1 -1  29 3  o 689.0212 10.17884 111.8408       3.299135  114.4477       4.621163  109.1309       4.711511  696.4926 14.10475 680.0280 14.72869 16.46466       20.39310 
1 1 1 -1  29 4  o 531.9780 19.03110 66.94038       4.762411  67.62783       6.615670  66.20096       6.861169  533.3177 26.37051 526.6421 27.79419 6.675598       38.31345 
1 1 1 -1  29 5  o 255.8573 43.72076 16.26932       5.073046  16.26932       5.073046  0.000000       0.000000  255.8573 43.72076 ?        ?        0.000000       43.72076 
1 1 1 -1  29 6  o 212.2115 37.94255 11.14613       3.648580  10.02973       4.870130  12.57432       5.508355  198.5502 51.65215 221.8717 53.41834 -23.32152      74.30655 
1 1 1 -1  29 7  o 103.8489 43.02892 0.8045480      3.440271  3.733651       4.685787  -2.620690      5.067113  139.7584 52.52827 104.6509 47.48420 35.10744       70.80938 
1 1 1 -1  29 8  o 460.1415 34.87133 51.12961       7.491858  0.000000       0.000000  51.12961       7.491858  ?        ?        460.1415 34.87133 0.000000       34.87133 
1 1 1 -1  29 9  o 430.4966 24.92986 44.22476       5.026851  42.95482       6.719945  45.83829       7.574629  421.5935 34.17880 434.4699 37.42755 -12.87640      50.68542 
1 1 1 -1  29 10 o 218.9055 42.18409 12.01055       4.186326  12.71700       5.753608  11.21582       6.102501  221.9558 55.30730 208.4192 59.37347 13.53662       81.14251 
1 1 1 -1  29 11 o 658.9629 23.28552 103.2469       7.217991  98.06779       9.419880  110.6124       11.23350  639.4360 31.31692 676.4240 35.42746 -36.98804      47.28482 
1 1 1 -1  29 12 o 423.5948 26.69944 43.00681       5.292903  40.04162       7.214766  46.46255       7.788734  404.6517 38.36111 436.1334 38.35450 -31.48169      54.24612 
1 1 1 -1  29 13 o 326.3023 30.89248 25.80027       4.685334  20.66588       6.133118  32.99644       7.260850  286.0174 47.23362 364.6674 43.16495 -78.64996      63.98615 
1 1 1 -1  29 14 o 195.5188 57.41445 9.958384       5.627637  0.000000       0.000000  9.958384       5.627637  ?        ?        195.5188 57.41445 0.000000       57.41445 
1 1 1 -1  29 15 o 193.0154 42.87765 9.516829       3.791867  4.925684       5.113645  15.12485       5.651646  150.2436 55.17237 241.3045 51.36607 -91.06090      75.38213 
1 1 1 -1  29 16 o 183.1463 45.63794 8.675838       3.917588  7.812129       5.248770  9.762189       5.886529  174.6559 56.22785 192.4941 59.22505 -17.83817      81.66503 
1 1 1 -1  29 17 o 288.6809 31.58862 20.44055       4.219615  16.02259       5.668660  25.93044       6.319052  247.4619 50.40890 320.3631 43.01843 -72.90123      66.26947 
1 1 1 -1  29 18 o 233.2952 38.17500 13.75058       4.044484  12.65458       5.535264  15.00595       5.924036  216.9357 54.35397 236.5253 54.38081 -19.58960      76.88710 
1 1 1 -1  29 19 o 186.6419 45.01687 9.160470       3.906582  2.574317       5.367621  16.57848       5.696520  132.5321 54.20488 249.9624 50.19038 -117.4304      73.87315 
1 1 1 -1  29 20 o 245.1425 37.34773 15.26991       4.170682  11.51308       5.640688  19.80083       6.194621  203.6377 56.76040 272.4226 50.18874 -68.78493      75.76710 
1 1 1 -1  31 1  o 554.2754 15.98237 72.57993       4.167121  0.000000       0.000000  72.57993       4.167121  ?        ?        554.2754 15.98237 0.000000       15.98237 
1 1 1 -1  31 2  o 263.4260 12.88820 16.36895       1.597056  18.96601       2.232094  13.64486       2.286029  282.7672 16.85745 239.1171 20.52254 43.65018       26.55839 
1 1 1 -1  31 3  o 348.4492 9.934001 28.60752       1.628295  28.54892       2.162354  28.68428       2.474619  347.8576 13.21465 348.5169 15.09438 -0.6592407     20.06159 
1 1 1 -1  31 4  o 352.6426 23.01279 29.65144       3.796523  27.17598       5.274538  32.31273       5.468925  334.8255 33.95837 365.9270 32.09577 -31.10144      46.72590 
1 1 1 -1  31 5  o 440.6099 21.78735 46.06397       4.515729  46.58146       6.205728  45.48158       6.583404  440.3475 30.14030 434.3718 32.45399 5.975647       44.29107 
1 1 1 -1  31 6  o 629.6052 20.94491 94.01725       6.203206  94.73841       8.566816  93.22236       8.994087  629.6419 28.92388 623.9824 30.64188 5.659485       42.13686 
1 1 1 -1  31 7  o 259.2399 32.94366 16.38686       3.926659  19.15874       5.324772  13.08264       5.813647  277.7857 42.06606 224.8843 55.33418 52.90140       69.50845 
1 1 1 -1  31 8  f 412.3903 24.25702 40.62072       4.684881  47.17598       6.648518  34.15577       6.602565  442.0505 32.19426 373.7555 38.08614 68.29501       49.87007 
1 1 1 -1  31 9  o 198.6787 39.56207 9.907835       3.567487  7.071939       4.851655  13.24614       5.263899  168.8110 54.02886 227.0603 50.57912 -58.24933      74.00922 
1 1 1 -1  31 10 o 170.2869 55.56533 7.181927       5.115568  7.181927       5.115568  0.000000       0.000000  170.2869 55.56533 ?        ?        0.000000       55.56533 
1 1 1 -1  31 11 o 211.9869 38.90894 11.26558       3.736981  8.736624       5.041715  14.34899       5.567025  184.1102 54.42295 235.4200 51.68645 -51.30984      75.05563 
1 1 1 -1  31 12 o 204.4168 38.94351 10.51684       3.607994  14.67301       5.214774  6.700357       4.997131  239.0317 48.04435 164.8640 54.97299 74.16765       73.00883 
1 1 1 -1  31 13 o 212.2243 48.89307 11.69739       4.780566  0.000000       0.000000  11.69739       4.780566  ?        ?        212.2243 48.89307 0.000000       48.89307 
1 1 1 -1  31 14 o 122.9559 44.94541 3.207242       3.388029  -0.5826398     4.715791  7.250298       4.870759  108.9448 47.83297 168.5476 54.15520 -59.60275      72.25496 
1 1 1 -1  31 15 o 118.4893 44.11089 2.864002       3.288959  -0.3638526     4.351044  7.167064       5.023719  105.6342 46.17311 167.5105 55.08395 -61.87631      71.87627 
1 1 1 -1  31 16 o 292.7734 31.79430 21.10376       4.308367  16.81926       5.824313  26.28122       6.402555  252.4515 50.80431 321.2974 43.47882 -68.84593      66.86917 
1 1 1 -1  33 5  o 209.3855 31.64834 10.76734       3.019956  13.75149       4.451292  8.222355       4.110733  233.9546 41.98991 179.1509 47.86713 54.80365       63.67429 
1 1 1 -1  33 6  o 616.2737 19.63367 90.14398       5.691733  111.1772       9.214964  77.17004       7.237305  680.8774 28.77103 567.8836 27.09245 112.9938       39.51927 
1 1 1 -1  33 7  o 522.4684 29.61821 65.78478       7.249332  0.000000       0.000000  65.78478       7.249332  ?        ?        522.4684 29.61821 0.000000       29.61821 
1 1 1 -1  33 8  o 221.8485 37.01338 12.26836       3.726547  10.53508       5.470262  13.76932       5.090477  200.4567 55.90435 231.3391 48.33582 -30.88240      73.90297 
1 1 1 -1  33 9  o 125.4541 44.44489 3.494340       3.282687  4.955410       4.688374  2.089180       4.597794  147.9884 53.04152 124.8022 50.49311 23.18619       73.23222 
1 1 1 -1  33 10 o 219.7987 36.49856 12.06922       3.641354  17.92212       5.022856  5.585613       5.286563  266.9570 41.33408 156.0298 56.27882 110.9272       69.82701 
1 1 1 0   0  2  o 430.1207 9.481111 43.58384       1.916206  43.58384       1.916206  43.58384       1.916206  430.1207 9.481111 430.1207 9.481111 0.000000       0.000000 
1 1 1 0   0  3  o 290.5346 10.44147 19.93431       1.422836  19.93431       1.422836  19.93431       1.422836  290.5346 10.44147 290.5346 10.44147 0.000000       0.000000 
1 1 1 0   0  4  o 582.1816 11.89787 79.83936       3.255274  79.83936       3.255274  79.83936       3.255274  582.1816 11.89787 582.1816 11.89787 0.000000       0.000000 
1 1 1 0   0  5  o 730.5229 19.07625 125.8621       6.545251  125.8621       6.545251  125.8621       6.545251  730.5229 19.07625 730.5229 19.07625 0.000000       0.000000 
1 1 1 0   0  6  o 942.9998 15.69433 209.4244       6.957486  209.4244       6.957486  209.4244       6.957486  942.9998 15.69433 942.9998 15.69433 0.000000       0.000000 
1 1 1 0   0  7  o 370.5208 14.94900 32.46078       2.595881  32.46078       2.595881  32.46078       2.595881  370.5208 14.94900 370.5208 14.94900 0.000000       0.000000 
1 1 1 0   0  8  o 448.8169 21.37933 47.74079       4.490356  47.74079       4.490356  47.74079       4.490356  448.8169 21.37933 448.8169 21.37933 0.000000       0.000000 
1 1 1 0   0  9  f 1170.544 18.95551 322.7540       10.43123  322.7540       10.43123  322.7540       10.43123  1170.544 18.95551 1170.544 18.95551 0.000000       0.000000 
1 1 1 0   0  10 o 57.86155 37.42151 -0.8666155E-01 2.391967  -0.8666155E-01 2.391967  -0.8666155E-01 2.391967  57.86155 37.42151 57.86155 37.42151 0.000000       0.000000 
1 1 1 0   0  11 o 748.5938 17.09734 132.1251       6.013567  132.1251       6.013567  132.1251       6.013567  748.5938 17.09734 748.5938 17.09734 0.000000       0.000000 
1 1 1 0   0  12 o 52.14316 35.76074 -1.906086      2.817396  -1.906086      2.817396  -1.906086      2.817396  52.14316 35.76074 52.14316 35.76074 0.000000       0.000000 
1 1 1 0   0  13 o 944.8643 19.04424 210.5925       8.456760  210.5925       8.456760  210.5925       8.456760  944.8643 19.04424 944.8643 19.04424 0.000000       0.000000 
1 1 1 0   0  14 o 520.1229 20.06725 64.00854       4.893197  64.00854       4.893197  64.00854       4.893197  520.1229 20.06725 520.1229 20.06725 0.000000       0.000000 
1 1 1 0   0  15 o 298.0576 28.53199 21.50704       3.916181  21.50704       3.916181  21.50704       3.916181  298.0576 28.53199 298.0576 28.53199 0.000000       0.000000 
1 1 1 0   0  16 o 672.4525 20.07431 106.7331       6.337161  106.7331       6.337161  106.7331       6.337161  672.4525 20.07431 672.4525 20.07431 0.000000       0.000000 
1 1 1 0   0  17 o 1075.125 21.33047 272.4443       10.77812  272.4443       10.77812  272.4443       10.77812  1075.125 21.33047 1075.125 21.33047 0.000000       0.000000 
1 1 1 0   0  18 o 1529.446 35.61582 552.6160       25.59260  552.6160       25.59260  552.6160       25.59260  1529.446 35.61582 1529.446 35.61582 0.000000       0.000000 
1 1 1 0   0  19 o 765.2781 21.87080 138.2456       7.858691  138.2456       7.858691  138.2456       7.858691  765.2781 21.87080 765.2781 21.87080 0.000000       0.000000 
1 1 1 0   0  20 o 258.8186 41.29681 16.97669       4.644220  16.97669       4.644220  16.97669       4.644220  258.8186 41.29681 258.8186 41.29681 0.000000       0.000000 
1 1 1 0   0  21 o 58.23613 40.90001 -4.689784      4.303027  -4.689784      4.303027  -4.689784      4.303027  58.23613 40.90001 58.23613 40.90001 0.000000       0.000000 
1 1 1 0   0  22 o 524.9390 25.68170 65.44376       6.307034  65.44376       6.307034  65.44376       6.307034  524.9390 25.68170 524.9390 25.68170 0.000000       0.000000 
1 1 1 0   0  24 o 123.8824 73.99385 4.134959       7.636077  4.134959       7.636077  4.134959       7.636077  123.8824 73.99385 123.8824 73.99385 0.000000       0.000000 
1 1 1 0   0  25 o 740.2229 24.71205 129.9350       8.583065  129.9350       8.583065  129.9350       8.583065  740.2229 24.71205 740.2229 24.71205 0.000000       0.000000 
1 1 1 0   0  26 o 1019.096 24.79291 246.2102       11.86945  246.2102       11.86945  246.2102       11.86945  1019.096 24.79291 1019.096 24.79291 0.000000       0.000000 
1 1 1 0   0  27 o 41.07503 30.29440 -13.23678      4.316631  -13.23678      4.316631  -13.23678      4.316631  41.07503 30.29440 41.07503 30.29440 0.000000       0.000000 
1 1 1 0   0  28 o 196.8865 60.08020 11.71374       4.860693  11.71374       4.860693  11.71374       4.860693  196.8865 60.08020 196.8865 60.08020 0.000000       0.000000 
1 1 1 0   0  29 o 66.93702 45.75604 -2.516510      4.529668  -2.516510      4.529668  -2.516510      4.529668  66.93702 45.75604 66.93702 45.75604 0.000000       0.000000 
1 1 1 0   0  30 o 251.2980 48.86824 17.01236       5.149812  17.01236       5.149812  17.01236       5.149812  251.2980 48.86824 251.2980 48.86824 0.000000       0.000000 
1 1 1 0   0  31 o 235.8459 51.27840 15.39750       4.985705  15.39750       4.985705  15.39750       4.985705  235.8459 51.27840 235.8459 51.27840 0.000000       0.000000 
1 1 1 0   0  32 o 113.5435 66.20981 4.536267       5.860683  4.536267       5.860683  4.536267       5.860683  113.5435 66.20981 113.5435 66.20981 0.000000       0.000000 
1 1 1 0   0  33 o 99.43651 58.99104 3.249578       4.793838  3.249578       4.793838  3.249578       4.793838  99.43651 58.99104 99.43651 58.99104 0.000000       0.000000 
1 1 1 0   0  34 o 105.1368 58.38898 4.215002       4.260935  4.215002       4.260935  4.215002       4.260935  105.1368 58.38898 105.1368 58.38898 0.000000       0.000000 
1 1 1 0   0  35 o 109.9313 66.69514 4.417361       6.401390  4.417361       6.401390  4.417361       6.401390  109.9313 66.69514 109.9313 66.69514 0.000000       0.000000 
1 1 1 0   0  36 o 60.40266 42.99723 -6.061237      5.322589  -6.061237      5.322589  -6.061237      5.322589  60.40266 42.99723 60.40266 42.99723 0.000000       0.000000 
1 1 1 0   2  0  o 608.3170 14.20744 87.06897       4.065509  0.000000       0.000000  87.06897       4.065509  ?        ?        608.3170 14.20744 0.000000       14.20744 
1 1 1 0   2  1  o 317.2291 12.46918 23.68312       1.860716  23.68312       1.860716  0.000000       0.000000  317.2291 12.46918 ?        ?        0.000000       12.46918 
1 1 1 0   2  2  o 320.2486 7.663955 24.12736       1.154541  23.98633       2.124758  24.18644       1.375289  319.2263 14.14952 320.6257 9.118560 -1.399445      16.83321 
1 1 1 0   2  3  o 623.8671 8.113894 91.56554       2.381172  91.49852       3.367992  91.63251       3.366978  623.5606 11.48215 624.0174 11.47029 -0.4567871     16.22982 
1 1 1 0   2  4  o 1372.317 13.73967 443.2621       8.869519  433.8105       12.26303  453.6302       12.84391  1357.141 19.20895 1387.749 19.67510 -30.60791      27.49715 
1 1 1 0   2  5  o 812.9928 9.970387 155.5171       3.813011  155.9178       5.400500  155.1188       5.384360  813.8842 14.10594 811.7964 14.09995 2.087830       19.94458 
1 1 1 0   2  6  o 790.8163 10.24761 147.1517       3.812129  149.3626       5.435315  145.0113       5.348073  796.5741 14.50539 784.8862 14.48510 11.68793       20.49937 
1 1 1 0   2  7  o 802.0674 10.67441 151.3732       4.027395  160.2140       5.935899  143.8320       5.482299  824.9689 15.29606 781.6722 14.90969 43.29669       21.36044 
1 1 1 0   2  8  o 884.4299 11.44042 184.0717       4.759648  176.9290       6.524348  192.1976       6.958972  866.8901 15.99940 903.5002 16.37373 -36.61011      22.89279 
1 1 1 0   2  9  o 949.5256 14.05542 212.2333       6.277977  218.2521       11.23892  209.5036       7.568915  962.0482 24.83467 943.2142 17.05902 18.83398       30.12924 
1 1 1 0   2  10 o 1113.336 13.30971 291.7898       6.970503  292.8599       9.922114  290.7469       9.794682  1114.880 18.91937 1110.869 18.74382 4.011108       26.63218 
1 1 1 0   2  11 o 360.8997 16.14186 30.68644       2.740371  37.60405       5.058815  27.81349       3.260133  397.9822 27.18451 342.8252 20.30639 55.15698       33.93151 
1 1 1 0   2  12 o 581.1568 14.90228 79.59581       4.073946  81.15594       4.961617  76.36742       7.137314  586.5588 17.98218 568.0009 26.71262 18.55792       32.20129 
1 1 1 0   2  13 o 167.6420 28.61113 6.843979       2.175274  4.401283       3.131513  9.121696       3.023912  136.6408 43.37247 193.0121 34.57529 -56.37129      55.46731 
1 1 1 0   2  14 o 698.9788 15.23807 115.1116       5.010295  111.2754       6.110975  122.9786       8.751171  686.9122 18.91211 721.3066 25.79152 -34.39447      31.98235 
1 1 1 0   2  15 o 776.7991 15.86339 142.1129       5.796609  148.3353       10.38546  139.2973       6.986036  792.5277 27.85748 768.8191 19.31690 23.70862       33.89959 
1 1 1 0   2  16 o 821.7462 14.32472 158.9693       5.537238  162.2568       7.788314  155.6091       7.874063  829.8417 19.95165 812.6170 20.59888 17.22473       28.67721 
1 1 1 0   2  17 o 144.2588 47.81087 4.696721       3.781952  0.000000       0.000000  4.696721       3.781952  ?        ?        144.2588 47.81087 0.000000       47.81087 
1 1 1 0   2  18 o 1266.387 16.27704 377.6735       9.696414  377.0395       13.69919  378.3100       13.72645  1264.530 23.03014 1266.658 23.03718 -2.127930      32.57452 
1 1 1 0   2  19 o 1301.540 16.71274 399.0287       10.23233  383.1769       14.02149  417.0881       14.96605  1274.514 23.38731 1329.625 23.92812 -55.11096      33.45925 
1 1 1 0   2  20 o 591.8818 18.44026 82.56969       5.134182  87.27611       6.548183  75.05946       8.271836  608.1720 22.88891 562.3438 31.39554 45.82819       38.85334 
1 1 1 0   2  21 o 395.7475 20.27407 37.04244       3.761558  40.40097       5.610614  34.30027       5.069708  412.1744 29.12493 379.6977 28.59403 32.47678       40.81519 
1 1 1 0   2  22 f 158.6142 42.64919 6.216420       3.251110  12.95052       4.784451  0.4396162      4.431351  228.6028 46.08338 114.5040 48.23540 114.0989       66.71081 
1 1 1 0   2  23 o 339.2080 27.83757 27.47342       4.402719  39.92271       8.258034  22.52955       5.204007  405.4427 44.00550 305.0576 37.02359 100.3850       57.50853 
1 1 1 0   2  24 o 482.3863 19.47298 55.02825       4.418722  59.72599       6.465654  50.91130       6.052791  500.4626 27.57085 461.8422 27.99291 38.62033       39.29064 
1 1 1 0   2  25 o 457.9411 20.04875 49.68934       4.318831  49.42093       6.108667  49.95759       6.106833  454.0782 28.74707 456.5962 28.57632 -2.518036      40.53394 
1 1 1 0   2  26 o 314.3999 28.65523 23.87525       4.191404  25.75714       5.311715  20.76992       6.823260  324.5018 35.37040 284.2585 52.97718 40.24329       63.69966 
1 1 1 0   2  27 o 405.0698 25.54866 39.46450       4.843246  32.78835       8.206880  43.03210       5.999331  357.9450 50.11468 421.1163 30.49165 -63.17126      58.66193 
1 1 1 0   2  28 o 480.0662 20.12207 54.98291       4.544049  53.91069       6.439805  56.04615       6.412791  470.8666 29.21830 480.5128 28.49813 -9.646210      40.81485 
1 1 1 0   2  29 o 435.3683 25.37342 45.94263       5.173907  54.36980       9.395004  42.27431       6.198539  460.7368 43.87867 413.9137 32.08613 46.82309       54.35860 
1 1 1 0   2  30 o 110.5058 46.66464 1.070286       4.163741  1.545881       5.004073  0.3005351E-04  7.506699  121.3911 51.20365 133.7604 59.46269 -12.36938      78.47054 
1 1 1 0   2  31 o 84.00846 38.21250 -1.469626      3.307553  -0.4893700     4.654588  -2.469498      4.700929  105.6641 46.90488 96.70827 44.57220 8.955818       64.70509 
1 1 1 0   2  32 o 325.8058 27.20668 26.28428       4.131538  17.82823       5.437303  37.83655       6.355258  255.5470 46.96232 384.8417 35.50642 -129.2947      58.87415 
1 1 1 0   2  33 o 155.9553 45.65704 6.811443       3.563585  0.3957964E-01  4.824408  14.94294       5.286584  107.7514 47.79592 228.3523 50.55088 -120.6009      69.56897 
1 1 1 0   2  34 o 115.3329 45.40984 2.955460       3.618482  -2.299941      6.145637  5.744108       4.476729  107.2163 49.94508 142.3278 51.71949 -35.11155      71.89865 
1 1 1 0   2  35 o 140.0534 45.99453 5.795503       3.503000  11.19203       5.843534  2.768384       4.376561  180.6493 59.40892 116.0490 48.34486 64.60032       76.59403 
1 1 1 0   2  36 o 163.6488 48.41261 8.591192       3.988234  4.340072       5.318119  14.05470       6.028954  126.0610 52.95882 195.7094 59.89125 -69.64840      79.94748 
1 1 1 0   4  0  o 1376.437 26.56221 446.1951       17.19847  446.1951       17.19847  0.000000       0.000000  1376.437 26.56221 ?        ?        0.000000       26.56221 
1 1 1 0   4  1  o 750.1419 12.34053 132.4261       4.354581  131.8371       6.129835  133.0262       6.187181  748.2605 17.41513 751.6232 17.49941 -3.362671      24.68838 
1 1 1 0   4  2  o 638.7653 12.03072 96.01904       3.614951  99.97028       5.224565  92.39002       5.006998  651.5977 17.04517 626.4092 16.99222 25.18854       24.06809 
1 1 1 0   4  3  o 373.8708 8.740479 32.88569       1.537184  32.49109       2.990406  33.02740       1.792077  371.4698 17.11344 374.6564 10.16844 -3.186584      19.90646 
1 1 1 0   4  4  o 1385.543 13.83834 451.8471       9.019307  444.6399       12.54194  459.5663       12.97978  1373.971 19.40519 1396.807 19.75430 -22.83582      27.69104 
1 1 1 0   4  5  o 733.9789 9.553947 126.7522       3.298646  127.3262       4.678458  126.1847       4.651639  735.5126 13.52207 732.2089 13.50522 3.303711       19.11119 
1 1 1 0   4  6  o 1447.681 14.74506 493.3296       10.04127  496.2630       14.26585  490.4492       14.13604  1451.386 20.89514 1442.867 20.82727 8.518921       29.50224 
1 1 1 0   4  7  o 1157.948 12.86177 315.5660       7.005825  325.8339       10.14543  306.2071       9.685996  1176.254 18.33580 1140.300 18.05743 35.95435       25.73465 
1 1 1 0   4  8  o 355.3242 11.71965 29.71190       1.958885  28.39777       2.752218  31.06110       2.788705  347.2747 16.84769 363.2074 16.32220 -15.93277      23.45760 
1 1 1 0   4  9  o 340.7730 12.92075 27.33398       2.071201  26.72905       2.918684  27.94763       2.939669  336.3369 18.51910 343.9653 18.23342 -7.628357      25.98874 
1 1 1 0   4  10 o 811.8810 16.98027 155.2885       6.484946  147.4733       8.581132  165.6956       9.902298  790.6368 23.07269 837.8254 25.12541 -47.18854      34.11210 
1 1 1 0   4  11 o 603.5267 14.30367 85.80827       4.060817  80.14269       6.994936  88.68834       4.987284  582.2418 25.53942 613.3451 17.28582 -31.10327      30.83928 
1 1 1 0   4  12 o 1038.271 13.51161 253.9863       6.599138  259.1716       9.499488  249.1500       9.174192  1047.883 19.27161 1027.477 18.98131 20.40564       27.04968 
1 1 1 0   4  13 o 99.38158 40.48667 0.9156555      2.979740  0.9156555      2.979740  0.000000       0.000000  99.38158 40.48667 ?        ?        0.000000       40.48667 
1 1 1 0   4  14 f 964.7964 13.67331 219.1836       6.205528  216.8559       8.802736  221.4833       8.749391  959.0909 19.51141 969.3068 19.18877 -10.21594      27.36611 
1 1 1 0   4  15 o 549.6437 14.02653 71.12214       3.626610  70.61188       5.161736  71.61959       5.096489  547.4039 20.04558 551.3165 19.65173 -3.912537      28.07162 
1 1 1 0   4  16 o 331.7420 21.58321 26.04532       3.349778  27.15517       6.235023  25.59499       3.971652  336.2808 40.21310 328.3956 25.92088 7.885193       47.84334 
1 1 1 0   4  17 o 972.2557 14.60535 222.5386       6.679773  224.4325       9.541258  220.7180       9.354754  975.9183 20.78370 967.8290 20.54776 8.089294       29.22623 
1 1 1 0   4  18 o 815.4290 14.73529 156.5560       5.652157  152.4396       7.932929  160.8002       8.055189  804.2028 20.97001 825.9819 20.73175 -21.77911      29.48808 
1 1 1 0   4  19 o 697.8057 18.50770 114.7436       6.075140  126.5624       7.509663  92.36029       10.33466  732.5956 21.79149 623.5130 35.38135 109.0826       41.55368 
1 1 1 0   4  20 o 399.5011 19.82152 37.63259       3.724983  42.25330       5.423068  33.50525       5.125370  421.9502 27.47190 375.2848 29.26451 46.66534       40.13872 
1 1 1 0   4  21 o 819.0912 15.84808 158.0992       6.106300  159.9280       8.762084  156.3722       8.514464  823.0030 22.63272 813.8565 22.24028 9.146484       31.73121 
1 1 1 0   4  22 o 207.7980 39.52605 10.63217       3.722431  9.045779       7.055581  11.24406       4.381903  196.4162 65.31316 212.7694 45.17716 -16.35326      79.41528 
1 1 1 0   4  23 o 224.3278 32.85331 12.22902       3.364076  9.266017       4.847016  14.98285       4.672808  192.2308 52.23846 246.6851 41.75854 -54.45432      66.87774 
1 1 1 0   4  24 o 230.2412 33.06845 12.91921       3.478709  12.57786       5.035912  13.23077       4.811062  223.0998 49.29869 229.7142 46.12524 -6.614410      67.51221 
1 1 1 0   4  25 o 632.0682 25.12967 95.11135       7.471709  95.11135       7.471709  0.000000       0.000000  632.0682 25.12967 ?        ?        0.000000       25.12967 
1 1 1 0   4  26 o 274.0429 41.42752 18.74899       5.173769  18.74899       5.173769  0.000000       0.000000  274.0429 41.42752 ?        ?        0.000000       41.42752 
1 1 1 0   4  27 o 297.9951 26.63611 21.48610       3.694429  20.34513       5.260448  22.59659       5.189693  284.8610 40.38840 301.7361 37.36213 -16.87509      55.01955 
1 1 1 0   4  28 o 137.3206 48.63287 4.418257       3.930172  -3.281808      6.738024  8.388823       4.838510  117.0744 53.73748 177.7357 53.49484 -60.66136      75.82489 
1 1 1 0   4  29 o 231.1364 33.55194 13.40594       3.541413  19.84277       5.089980  7.366257       4.930456  278.7555 39.96019 166.6212 54.55956 112.1343       67.62812 
1 1 1 0   4  30 f 448.3598 20.95895 48.30792       4.420439  48.98328       6.166570  47.59406       6.339925  445.9758 29.56190 438.6588 30.92270 7.316986       42.77989 
1 1 1 0   4  31 o 392.6212 32.48408 38.59263       5.945590  38.59263       5.945590  0.000000       0.000000  392.6212 32.48408 ?        ?        0.000000       32.48408 
1 1 1 0   4  32 o 235.3394 32.30436 14.09406       3.481882  16.23109       4.974642  12.04168       4.875114  244.8918 44.83583 206.4723 50.59087 38.41948       67.59946 
1 1 1 0   4  33 o 149.5975 44.76619 6.231316       3.395575  0.7435937      4.840758  11.54703       4.764291  111.4786 48.71566 199.6222 50.65361 -88.14360      70.27805 
1 1 1 0   4  34 o 226.2663 36.02653 13.65237       3.705950  9.298455       6.144395  16.14189       4.646184  169.6177 60.72941 241.1208 42.51685 -71.50310      74.13329 
1 1 1 0   4  35 o 162.0016 48.16452 8.042994       3.940131  5.493461       5.737776  10.31807       5.420154  138.3202 56.24664 175.0892 57.19870 -36.76906      80.22079 
1 1 1 0   4  36 o 119.3585 52.12568 3.085613       5.534260  3.085613       5.534260  0.000000       0.000000  119.3585 52.12568 ?        ?        0.000000       52.12568 
1 1 1 0   6  0  o 754.6354 12.23062 133.9776       4.341651  133.3234       6.073710  134.6611       6.208555  752.6915 17.15409 756.4510 17.44779 -3.759521      24.46811 
1 1 1 0   6  1  o 586.2437 9.004738 80.85822       2.483239  82.52081       4.500397  80.13044       2.977546  592.0457 16.15944 583.5605 10.84684 8.485229       19.46231 
1 1 1 0   6  2  o 2260.537 30.02011 1205.817       31.92223  1224.435       45.96167  1188.466       44.37009  2274.037 42.96641 2240.686 42.09593 33.35107       60.15130 
1 1 1 0   6  3  o 981.7184 14.88473 226.8624       6.873806  221.7004       9.013574  234.0369       10.62637  970.1888 19.75020 996.5930 22.66720 -26.40417      30.06447 
1 1 1 0   6  4  o 1118.596 13.79545 294.4997       7.259026  288.9120       12.72955  297.1923       8.836616  1107.118 24.44274 1123.516 16.72004 -16.39819      29.61431 
1 1 1 0   6  5  o 907.8104 10.60327 193.9139       4.527976  192.2841       6.356759  195.5925       6.451337  903.8030 14.95177 911.5405 15.04543 -7.737488      21.21133 
1 1 1 0   6  6  o 390.0526 10.67228 35.79932       1.958168  36.07209       2.545987  35.40429       3.063921  391.4781 13.82546 387.7700 16.79709 3.708069       21.75513 
1 1 1 0   6  7  o 1358.864 16.65023 434.8000       10.64303  445.3941       13.21932  415.2794       17.94407  1374.919 20.43914 1326.502 28.75701 48.41675       35.28064 
1 1 1 0   6  8  o 1421.656 14.92851 475.8650       9.983439  496.4971       14.77453  458.5288       13.54313  1451.310 21.64135 1394.852 20.64056 56.45752       29.90620 
1 1 1 0   6  9  o 1046.811 12.65533 257.9781       6.231765  273.1689       9.304023  245.6182       8.392403  1076.632 18.37106 1020.993 17.47408 55.63904       25.35427 
1 1 1 0   6  10 o 724.3751 13.63903 123.5951       4.647468  126.4863       8.576636  122.3933       5.529680  731.5495 24.92321 720.6180 16.31269 10.93146       29.78708 
1 1 1 0   6  11 o 399.2943 13.45904 37.56178       2.527996  37.27880       3.673189  37.81642       3.484519  397.4149 19.64852 400.3503 18.50263 -2.935333      26.98910 
1 1 1 0   6  12 o 275.5462 16.97223 17.96780       2.189195  17.55441       3.223004  18.32190       2.982897  271.2804 25.55776 277.5494 23.05567 -6.269012      34.42038 
1 1 1 0   6  13 o 353.4552 15.26624 29.42660       2.538258  33.17734       3.846585  26.53378       3.378142  374.3794 21.93785 334.7011 21.57100 39.67834       30.76650 
1 1 1 0   6  14 o 713.0549 13.17191 119.6856       4.418157  123.9187       6.426417  115.8916       6.084065  725.2438 18.83717 701.3854 18.44029 23.85846       26.36064 
1 1 1 0   6  15 o 978.2835 13.95054 225.2799       6.419853  232.5891       9.362251  218.7927       8.820074  993.5977 20.03090 963.7245 19.45584 29.87317       27.92430 
1 1 1 0   6  16 o 652.5170 15.83466 100.2482       4.860376  97.85970       8.286605  101.5008       6.001023  644.0305 27.35275 656.4075 19.43491 -12.37708      33.55426 
1 1 1 0   6  17 o 1238.288 15.79702 361.0550       9.201659  370.9408       13.35367  352.1172       12.69734  1254.380 22.63092 1222.206 22.08508 32.17395       31.62134 
1 1 1 0   6  18 f 413.6699 17.93536 40.31422       3.490063  35.47402       4.855231  45.48913       5.020296  386.7291 26.85559 438.4356 24.43908 -51.70651      36.31104 
1 1 1 0   6  19 o 1084.492 15.68188 277.0221       8.000073  288.7355       11.75334  266.9104       10.92017  1106.333 22.58429 1063.803 21.82222 42.52979       31.40477 
1 1 1 0   6  20 o 165.3452 44.68374 6.735034       3.558062  5.202634       4.222521  10.48752       6.607620  151.4900 50.53391 207.3440 62.53848 -55.85399      80.40359 
1 1 1 0   6  21 o 418.2879 19.15604 41.27482       3.769210  36.61375       5.360905  45.83151       5.300542  392.1155 29.27506 439.5040 25.75063 -47.38846      38.98877 
1 1 1 0   6  22 o 637.1310 19.12519 95.82924       5.731968  88.16885       9.768724  99.85154       7.078639  607.7261 34.31151 649.8078 23.15771 -42.08167      41.39515 
1 1 1 0   6  23 o 545.2864 18.15352 70.23234       4.656449  70.38100       6.785466  70.10001       6.401706  544.5588 26.48900 543.7331 25.02884 0.8256836      36.44324 
1 1 1 0   6  24 o 583.8201 17.78023 80.58498       4.882987  80.72147       7.024920  80.45739       6.792137  582.6890 25.62921 581.9305 24.81224 0.7584229      35.67217 
1 1 1 0   6  25 o 418.4272 21.47797 41.67924       4.213245  43.06086       5.980030  40.31741       5.937060  422.8608 30.26337 408.8302 31.10493 14.03055       43.39802 
1 1 1 0   6  26 o 419.2704 25.79199 42.20243       5.062170  44.43074       6.051578  37.00951       9.238197  428.6444 30.20571 380.2941 53.08910 48.35028       61.08058 
1 1 1 0   6  27 o 558.4639 18.57899 74.15452       4.880749  83.46408       7.207798  66.27094       6.632837  589.4479 25.99488 524.1703 26.99196 65.27753       37.47399 
1 1 1 0   6  28 o 482.7285 19.93939 55.63881       4.527769  51.60571       6.344583  59.82455       6.463538  460.0073 29.47541 496.3711 27.79352 -36.36383      40.51271 
1 1 1 0   6  29 o 132.0236 43.93141 4.344470       3.191937  7.463929       4.424837  0.9600124      4.608951  166.9538 51.34497 114.8283 48.82212 52.12549       70.85129 
1 1 1 0   6  30 o 239.5559 36.00031 14.61968       3.931327  14.92468       5.023983  14.13793       6.314011  236.1810 46.87443 222.2506 59.29621 13.93047       75.58606 
1 1 1 0   6  31 o 163.4086 44.84240 7.232503       3.551247  5.549619       4.908908  9.080268       5.143764  147.9012 54.09525 178.9970 55.41074 -31.09581      77.43802 
1 1 1 0   6  32 o 263.9313 30.89431 17.59379       3.763076  17.53621       5.258094  17.65425       5.387865  253.7614 45.73092 253.7990 46.85530 -0.3762817E-01 65.47317 
1 1 1 0   6  33 o 110.2872 45.01157 2.113214       3.691482  -5.659929      5.927553  7.037928       4.718105  95.77338 45.90017 155.9523 53.41146 -60.17892      70.42450 
1 1 1 0   6  34 o 196.1080 48.43692 11.35240       4.441942  0.000000       0.000000  11.35240       4.441942  ?        ?        196.1080 48.43692 0.000000       48.43692 
1 1 1 0   6  35 o 196.2413 44.63373 11.36707       4.027233  10.19322       5.683777  12.55054       5.707030  171.5310 58.62375 191.4449 58.20538 -19.91389      82.61120 
1 1 1 0   6  36 o 114.0507 46.07656 3.408808       3.822680  7.065993       5.471607  -0.7829965E-01 5.342864  142.2271 55.89050 103.1434 47.53075 39.08369       73.36839 
1 1 1 0   8  0  o 3515.878 45.50692 2918.263       75.26283  3061.831       112.7598  2802.913       101.0722  3593.661 66.70337 3440.045 62.45948 153.6155       91.38122 
1 1 1 0   8  1  o 1192.383 14.07152 334.6430       7.892711  345.1651       9.899993  316.2902       13.07483  1210.756 17.38237 1158.434 23.99359 52.32153       29.62835 
1 1 1 0   8  2  o 1187.395 17.11367 331.9677       9.558898  0.000000       0.000000  331.9677       9.558898  ?        ?        1187.395 17.11367 0.000000       17.11367 
1 1 1 0   8  3  o 791.1700 21.20802 147.4733       7.892947  0.000000       0.000000  147.4733       7.892947  ?        ?        791.1700 21.20802 0.000000       21.20802 
1 1 1 0   8  4  o 854.1686 11.81996 171.6982       4.749292  154.8454       8.108305  180.4997       5.859672  810.6675 21.26268 875.6800 14.22520 -65.01245      25.58238 
1 1 1 0   8  5  o 985.4430 11.04863 228.5212       5.121641  219.8466       6.977118  238.6574       7.542009  966.3263 15.34910 1006.781 15.92512 -40.45453      22.11797 
1 1 1 0   8  6  o 1102.526 12.16978 286.1010       6.311618  280.6402       8.765232  291.9816       9.095901  1091.585 17.07011 1113.397 17.36706 -21.81177      24.35167 
1 1 1 0   8  7  o 337.0862 10.95584 26.74325       1.737225  30.15182       2.579546  23.91415       2.350071  357.8084 15.32581 318.6456 15.67847 39.16284       21.92476 
1 1 1 0   8  8  o 595.6063 12.77355 83.53360       3.578824  83.84582       4.238878  82.75863       6.678236  596.5807 15.10471 591.9719 23.98233 4.608765       28.34263 
1 1 1 0   8  9  o 560.6196 12.33153 74.01845       3.252030  79.96433       5.632142  71.04465       3.983098  582.0289 20.57121 549.0414 15.42221 32.98743       25.71029 
1 1 1 0   8  10 o 645.2565 11.53292 98.03997       3.500587  98.08560       5.072963  97.99849       4.836644  644.9985 16.71990 644.7823 15.94636 0.2161865      23.10501 
1 1 1 0   8  11 o 336.3326 17.32038 26.73406       2.730981  24.42034       5.457733  27.50689       3.154280  318.5456 37.11870 340.9310 19.75283 -22.38541      42.04726 
1 1 1 0   8  12 o 1008.202 15.07599 239.3726       7.149942  234.8033       8.810430  248.1867       12.23659  998.1926 18.76348 1025.430 25.36793 -27.23724      31.55313 
1 1 1 0   8  13 o 610.5661 12.96045 87.74576       3.722393  83.38082       5.160199  92.48145       5.374878  594.9606 18.43779 626.5988 18.23517 -31.63818      25.93209 
1 1 1 0   8  14 o 281.9949 23.12556 18.86852       3.040634  16.54899       3.496885  26.05827       6.156549  263.2787 28.70050 329.3337 40.59998 -66.05508      49.71999 
1 1 1 0   8  15 o 1006.900 15.97790 238.7011       7.567899  240.9334       12.94553  237.5422       9.327827  1010.617 27.23102 1004.183 19.74688 6.434448       33.63729 
1 1 1 0   8  16 o 865.0799 14.17550 176.1689       5.768515  174.4422       8.201469  177.8594       8.115040  860.4400 20.26291 868.8575 19.85513 -8.417542      28.36921 
1 1 1 0   8  17 o 1057.056 17.64068 263.2013       8.771677  248.1867       15.25420  270.6188       10.72162  1024.758 31.64454 1071.482 21.27189 -46.72437      38.12965 
1 1 1 0   8  18 o 875.8549 16.90219 180.7104       6.963771  176.9541       8.753023  187.1879       11.49436  866.2879 21.47962 890.2756 27.44676 -23.98767      34.85252 
1 1 1 0   8  19 o 444.6769 17.80677 46.60138       3.724766  45.08719       5.362896  48.01255       5.177238  436.0996 26.26487 450.2935 24.53432 -14.19391      35.94129 
1 1 1 0   8  20 o 597.7258 16.25936 84.19801       4.571668  84.01979       6.574645  84.36485       6.361263  596.4587 23.43271 597.7654 22.62264 -1.306702      32.57109 
1 1 1 0   8  21 o 295.7669 27.24994 20.88638       3.748628  27.17896       6.590097  17.87640       4.557842  334.5520 42.86088 271.6793 36.59525 62.87274       56.35838 
1 1 1 0   8  22 o 576.9927 17.53826 78.58093       4.760210  78.23114       6.904356  78.89784       6.571852  574.5698 25.54531 577.2335 24.20288 -2.663696      35.19008 
1 1 1 0   8  23 o 396.9557 24.07538 37.51017       4.474323  31.36148       8.428973  39.92245       5.279558  354.8821 52.03770 408.8102 27.61599 -53.92810      58.91151 
1 1 1 0   8  24 o 393.0929 23.75868 36.85175       4.372616  28.49122       5.457355  51.84305       7.307767  342.7455 34.30944 463.4933 33.74934 -120.7478      48.12646 
1 1 1 0   8  25 o 257.2734 29.03331 16.05527       3.452212  14.50696       4.908214  17.57114       4.856526  239.3654 45.24848 265.8750 40.07560 -26.50963      60.44401 
1 1 1 0   8  26 o 214.4859 34.80284 11.44100       3.391071  17.83821       5.030727  6.113712       4.590804  266.3611 41.50266 157.6906 52.69236 108.6705       67.07425 
1 1 1 0   8  27 o 148.8794 45.44767 5.653481       3.474301  2.041320       6.146781  7.349236       4.211588  136.6514 57.14158 167.8613 49.77083 -31.20984      75.77794 
1 1 1 0   8  28 o 253.7937 29.87920 15.88036       3.498801  16.46669       4.986143  15.31161       4.910822  252.3605 43.57779 242.6156 44.67562 9.744919       62.40942 
1 1 1 0   8  29 o 168.3987 46.18661 7.564763       3.768546  3.959572       6.339557  9.534926       4.686471  146.3580 59.26395 186.9887 51.59623 -40.63066      78.57727 
1 1 1 0   8  30 o 172.5725 42.93104 7.934562       3.470800  8.908546       4.962131  7.001611       4.856481  179.0748 54.23606 161.4662 54.19442 17.60861       76.67193 
1 1 1 0   8  31 o 144.3739 44.94378 5.565570       3.378663  7.273859       4.920929  4.042096       4.647121  162.3156 54.55246 134.3822 51.87142 27.93343       75.27692 
1 1 1 0   8  32 o 173.0147 56.08385 8.760299       5.215135  7.874554       6.613248  10.21700       8.480987  166.0408 62.40414 182.0052 70.12456 -15.96431      93.87082 
1 1 1 0   8  33 o 134.0908 45.66213 4.899091       3.448155  10.58859       5.985293  2.072697       4.218567  183.0153 60.12223 113.7545 47.43295 69.26073       76.58047 
1 1 1 0   8  34 o 85.03077 37.79181 -0.2283112     3.030578  -4.967301      5.022668  2.484733       3.800318  87.10154 41.87673 111.6564 45.63173 -24.55483      61.93476 
1 1 1 0   8  35 o 268.0887 36.05517 19.68099       4.431616  12.81213       6.139633  27.15220       6.403174  188.2931 60.83303 302.2688 46.52531 -113.9757      76.58500 
1 1 1 0   10 0  o 1221.988 17.78297 351.4818       10.22211  374.5541       15.38219  333.2343       13.67963  1260.920 25.93351 1189.444 24.44900 71.47607       35.64127 
1 1 1 0   10 1  f 620.8993 8.641835 90.70671       2.524041  92.71134       3.576903  88.71851       3.562209  627.6127 12.11563 613.9413 12.33455 13.67145       17.28958 
1 1 1 0   10 2  o 1411.397 16.32645 469.1627       10.83953  479.1049       13.43910  450.6541       18.33654  1425.787 20.03762 1381.429 28.21757 44.35864       34.60835 
1 1 1 0   10 3  o 1314.186 19.66879 407.0681       12.15917  414.0904       17.43341  400.4162       16.96738  1324.048 27.99043 1302.059 27.70223 21.98853       39.38118 
1 1 1 0   10 4  o 829.0381 15.81772 161.9031       6.168615  160.7313       8.560233  163.1689       8.896989  825.4360 22.04616 831.5919 22.74383 -6.155945      31.67514 
1 1 1 0   10 5  o 1492.803 17.44395 525.2452       12.24945  515.7551       21.39965  529.8700       14.93899  1475.953 30.82228 1498.608 21.19160 -22.65479      37.40450 
1 1 1 0   10 6  o 1525.621 15.31253 548.4501       10.98912  557.6945       15.89285  539.9815       15.21146  1536.917 21.98275 1512.468 21.38037 24.44836       30.66532 
1 1 1 0   10 7  o 314.4379 10.95228 23.27781       1.619976  22.65176       2.391957  23.80828       2.201820  309.5490 16.48628 317.8727 14.72514 -8.323700      22.10491 
1 1 1 0   10 8  o 378.9084 12.21246 33.80783       2.176740  38.46611       3.664557  31.26815       2.705818  403.8166 19.29159 364.2550 15.79151 39.56161       24.93065 
1 1 1 0   10 9  o 657.2267 11.03133 101.6777       3.410455  105.4309       5.019272  98.45877       4.648287  668.9482 15.95067 646.4963 15.28472 22.45190       22.09178 
1 1 1 0   10 10 o 1128.501 15.22281 299.9028       8.081017  329.6671       14.74531  287.1256       9.661063  1181.689 26.52659 1103.862 18.60547 77.82629       32.40098 
1 1 1 0   10 11 o 780.7127 13.48664 143.4707       4.952955  142.6580       6.344940  144.7384       7.924574  778.2993 17.33052 783.6802 21.49650 -5.380920      27.61243 
1 1 1 0   10 12 o 449.9546 13.08146 47.65021       2.768817  44.47746       3.956681  50.69482       3.875962  434.5453 19.35650 463.9773 17.75879 -29.43201      26.26878 
1 1 1 0   10 13 o 1449.056 16.12807 494.3484       10.99353  494.6892       15.60299  494.0124       15.49199  1448.839 22.89383 1447.866 22.74623 0.9730225      32.27256 
1 1 1 0   10 14 o 1225.118 14.98702 353.3234       8.636988  367.0591       12.74823  341.6690       11.74273  1248.108 21.71342 1204.265 20.72896 43.84314       30.01937 
1 1 1 0   10 15 o 699.6599 16.62534 115.2713       5.471756  116.2212       6.592965  113.1689       9.808568  702.3560 19.95511 692.3272 30.11792 10.02875       36.12887 
1 1 1 0   10 16 o 880.6500 14.19982 182.5819       5.882413  189.3928       8.602097  176.5993       8.062112  896.4735 20.39847 865.7149 19.79724 30.75861       28.42584 
1 1 1 0   10 17 o 296.4325 23.66904 20.86027       3.272950  20.24653       4.338801  21.67063       4.985612  290.8381 32.25719 300.4046 35.99813 -9.566467      48.33624 
1 1 1 0   10 18 o 578.1539 18.06231 78.77509       4.912314  95.71939       10.13562  73.57304       5.615977  634.8047 34.06670 558.5164 21.37569 76.28833       40.21766 
1 1 1 0   10 19 o 547.2416 15.80637 70.56248       4.068933  71.71242       6.004085  69.58578       5.533375  551.1186 23.15967 543.0154 21.66251 8.103210       31.71174 
1 1 1 0   10 20 o 533.5859 16.48119 67.12254       4.136778  73.95325       6.193372  61.62036       5.558553  559.3966 23.53629 510.6672 23.13953 48.72940       33.00598 
1 1 1 0   10 21 o 284.9839 30.83731 19.51628       4.068030  20.47121       4.808945  17.11356       7.628119  290.8957 35.90532 259.2659 63.13500 31.62979       72.63071 
1 1 1 0   10 22 o 344.7896 21.84743 28.25294       3.525116  28.59959       5.266764  27.97162       4.744564  344.6823 32.88174 341.5406 29.83079 3.141693       44.39690 
1 1 1 0   10 23 o 654.0916 18.86181 101.2363       5.803516  96.68884       7.365885  108.6801       9.424131  637.9028 24.54715 674.7200 29.69262 -36.81726      38.52550 
1 1 1 0   10 24 o 415.5430 23.13222 41.19028       4.503789  36.32581       8.386770  43.16160       5.338930  381.4698 47.78603 424.3752 26.88341 -42.90530      54.82903 
1 1 1 0   10 25 o 467.2294 18.85481 51.81001       4.144018  60.36324       6.219764  44.98222       5.557114  501.4889 26.45960 432.3658 27.46551 69.12311       38.13744 
1 1 1 0   10 26 o 227.5723 32.08247 12.78711       3.339145  7.474297       4.833506  17.63750       4.618366  170.3984 53.86349 265.6667 38.04173 -95.26830      65.94277 
1 1 1 0   10 27 o 332.9457 30.43196 27.15223       4.713502  27.24985       5.558918  26.90250       8.891238  330.8222 36.31874 312.7970 62.61165 18.02521       72.38280 
1 1 1 0   10 28 o 376.2344 22.74063 34.12780       4.005757  35.55872       5.768913  32.79553       5.566499  379.2531 32.65509 364.0093 32.86314 15.24380       46.32862 
1 1 1 0   10 29 o 117.6141 45.28303 2.723256       3.534559  -0.1761693     4.454548  7.651606       5.807624  106.2534 46.57413 169.6094 59.19458 -63.35603      75.32030 
1 1 1 0   10 30 o 108.9231 43.40243 2.001274       3.342493  -1.925243      4.914397  5.381189       4.559523  101.7604 46.39978 146.0482 52.31166 -44.28778      69.92460 
1 1 1 0   10 31 o 154.1566 43.69206 6.439216       3.313379  3.463101       4.727913  9.311666       4.644842  130.0545 51.68341 181.3741 51.84455 -51.31958      73.20541 
1 1 1 0   10 32 o 198.2399 65.10741 12.57134       7.019178  0.000000       0.000000  12.57134       7.019178  ?        ?        198.2399 65.10741 0.000000       65.10741 
1 1 1 0   10 33 o 241.8108 34.93897 15.39415       3.858994  20.20214       6.465261  12.73322       4.809737  259.1454 54.75165 208.3943 49.75245 50.75119       73.98006 
1 1 1 0   10 34 o 285.1539 33.16073 21.48122       4.365016  23.29073       6.325812  19.83651       6.030876  279.1396 50.01232 254.8134 52.07262 24.32619       72.19965 
1 1 1 0   10 35 o 84.11230 40.77671 -5.160523      5.009081  0.000000       0.000000  -5.160523      5.009081  ?        ?        84.11230 40.77671 0.000000       40.77671 
1 1 1 0   12 0  o 1096.247 16.62574 282.9586       8.573513  298.1570       12.68699  270.1843       11.63125  1124.651 23.98121 1070.683 23.09384 53.96887       33.29301 
1 1 1 0   12 1  o 843.5911 11.48742 167.5517       4.558520  164.5957       7.490387  169.2904       5.744896  835.3662 19.06154 847.7081 14.40677 -12.34192      23.89346 
1 1 1 0   12 2  o 542.9471 8.511159 69.37419       2.173780  67.67577       2.948218  71.39745       3.217823  536.1265 11.69023 550.6331 12.42311 -14.50653      17.05858 
1 1 1 0   12 3  o 1134.960 14.21206 303.4358       7.587642  319.8573       14.30524  297.0073       8.950420  1163.142 26.14528 1122.510 16.95056 40.63257       31.15922 
1 1 1 0   12 4  o 756.1531 22.23334 134.9584       7.908313  134.9584       7.908313  0.000000       0.000000  756.1531 22.23334 ?        ?        0.000000       22.23334 
1 1 1 0   12 5  o 751.6698 16.38366 133.1301       5.793050  131.7479       8.028330  134.6314       8.367406  747.1230 22.84356 755.1713 23.55462 -8.048279      32.81232 
1 1 1 0   12 6  o 392.2726 10.07028 36.21400       1.858226  38.70393       5.041698  35.82258       1.998954  403.9320 26.68413 390.1269 10.89250 13.80505       28.82168 
1 1 1 0   12 7  o 575.4019 9.189311 77.90514       2.487273  82.65657       3.877584  74.58334       3.242160  592.5268 13.91182 562.9084 12.24411 29.61835       18.53259 
1 1 1 0   12 8  o 940.4158 11.54789 208.1257       5.108483  212.0209       7.380687  204.5437       7.077800  948.8925 16.53524 932.0356 16.14345 16.85687       23.10898 
1 1 1 0   12 9  o 400.9217 14.41978 37.83570       2.719490  37.63482       3.075740  38.55529       5.821354  399.8108 16.35407 402.9690 30.94657 -3.158234      35.00208 
1 1 1 0   12 10 o 1442.991 15.47216 490.1571       10.50229  506.4833       15.36510  475.8414       14.38796  1466.158 22.27846 1421.199 21.52162 44.95947       30.97596 
1 1 1 0   12 11 o 1117.481 13.46357 293.8971       7.077335  305.3784       10.41269  284.0389       9.648647  1138.708 19.43933 1098.258 18.67639 40.45032       26.95728 
1 1 1 0   12 12 o 286.8781 20.41353 19.48355       2.736792  19.43520       6.034612  19.49607       3.070740  282.6433 47.04146 286.7209 22.96006 -4.077545      52.34562 
1 1 1 0   12 13 o 604.8525 13.03322 86.10432       3.708263  86.76226       5.336143  85.48983       5.156995  606.9476 18.68990 602.5018 18.19571 4.445740       26.08440 
1 1 1 0   12 14 o 1250.445 15.22502 368.1262       8.955541  363.4705       12.67367  372.7691       12.65644  1241.883 21.69464 1257.703 21.39264 -15.81995      30.46806 
1 1 1 0   12 15 o 475.1064 14.71239 53.14523       3.288089  59.02556       4.894420  48.30833       4.438988  500.4469 20.79093 452.7378 20.84337 47.70914       29.43991 
1 1 1 0   12 16 o 955.9417 20.71429 215.4221       9.314740  215.4221       9.314740  0.000000       0.000000  955.9417 20.71429 ?        ?        0.000000       20.71429 
1 1 1 0   12 17 o 754.3214 16.01894 134.0387       5.684073  143.9061       9.760148  128.9745       6.992170  780.5263 26.58273 739.6033 20.09758 40.92303       33.32498 
1 1 1 0   12 18 o 699.2203 16.32094 115.2101       5.368198  114.9265       7.031454  115.6064       8.311689  697.8818 21.41874 699.4980 25.26001 -1.616150      33.11843 
1 1 1 0   12 19 o 417.2701 17.52731 41.06005       3.440343  39.88644       5.069583  42.06194       4.684019  409.7384 26.44360 421.2082 23.73703 -11.46973      35.53464 
1 1 1 0   12 20 o 445.3971 19.21986 46.84285       4.026863  46.10583       6.825865  47.23627       4.987163  438.9400 33.30681 446.1665 23.84860 -7.226440      40.96461 
1 1 1 0   12 21 o 242.0739 27.68554 14.09780       3.095912  21.25889       4.728776  8.725757       4.095707  296.4011 34.56479 186.3687 46.78772 110.0324       58.17057 
1 1 1 0   12 22 o 366.1313 25.60833 32.01646       4.382721  34.87707       5.281392  25.68966       7.854366  381.2477 29.68305 319.1047 54.26789 62.14301       61.85537 
1 1 1 0   12 23 o 141.9586 41.63066 5.000010       2.960520  3.706430       4.253273  6.215777       4.123363  135.6712 50.23051 158.7527 49.68823 -23.08153      70.65426 
1 1 1 0   12 24 o 365.5349 21.32541 31.87297       3.650950  28.35345       5.238406  35.19746       5.091188  341.3036 33.04151 382.1382 28.52804 -40.83466      43.65307 
1 1 1 0   12 25 o 259.7811 27.46714 16.38446       3.305624  16.64720       4.959866  16.17449       4.433938  256.5513 42.59227 254.4985 38.21764 2.052811       57.22490 
1 1 1 0   12 26 o 317.2275 24.92720 24.30532       3.689791  32.18644       5.563880  18.11821       4.929779  361.9651 33.04119 267.7733 40.39336 94.19177       52.18567 
1 1 1 0   12 27 o 79.75093 37.52758 -3.459786      3.618748  5.434008       6.705099  -7.115034      4.298531  159.3963 62.08911 76.22121 37.13707 83.17513       72.34791 
1 1 1 0   12 28 o 162.3007 45.09644 6.955268       3.566495  9.579870       4.596475  2.984542       5.653639  188.2644 50.74949 136.5152 55.70876 51.74918       75.35898 
1 1 1 0   12 29 o 120.0230 44.55142 3.155156       3.350147  4.699260       4.706670  1.569483       4.769603  141.7666 52.76996 119.5862 50.19163 22.18034       72.82766 
1 1 1 0   12 30 o 299.5015 26.49109 22.06683       3.693734  21.03490       5.305130  23.03776       5.145964  284.1177 40.87070 299.8786 37.28463 -15.76093      55.32232 
1 1 1 0   12 31 o 307.9598 28.73344 23.66635       4.114394  24.97028       6.889246  22.94342       5.129670  299.6333 50.68543 297.3873 37.50282 2.245972       63.05136 
1 1 1 0   12 32 o 219.6686 36.68519 12.74952       3.657086  5.722355       5.864377  17.22137       4.678164  147.5521 57.90046 252.9800 40.69103 -105.4279      70.76880 
1 1 1 0   12 33 o 80.43908 37.94609 -2.919479      3.742735  -2.153389      5.276898  -3.695006      5.309303  99.82756 46.42876 94.52163 44.77104 5.305931       64.49865 
1 1 1 0   12 34 o 86.96544 39.69151 -0.9007514     3.606946  4.013080       5.200760  -5.454816      5.006754  127.1124 52.80598 84.34118 40.85738 42.77126       66.76673 
1 1 1 0   14 0  o 388.3625 13.67093 35.48785       2.497494  39.29846       3.541569  31.71819       3.522490  408.6181 18.42505 366.4966 20.51436 42.12155       27.57393 
1 1 1 0   14 1  o 529.8349 9.117310 66.04903       2.272357  68.53813       3.203134  63.52714       3.224165  539.6431 12.61825 519.5258 13.19292 20.11731       18.25578 
1 1 1 0   14 2  o 1739.932 16.95284 712.8445       13.87535  770.6003       21.32825  670.4635       18.27020  1807.831 25.08003 1686.611 23.02814 121.2197       34.04854 
1 1 1 0   14 3  o 1152.679 26.22277 313.3175       14.21858  313.3175       14.21858  0.000000       0.000000  1152.679 26.22277 ?        ?        0.000000       26.22277 
1 1 1 0   14 4  o 1120.855 18.64488 295.8590       9.830561  314.5066       14.57393  280.2914       13.31609  1154.860 26.82736 1090.323 25.96283 64.53711       37.33330 
1 1 1 0   14 5  f 875.4786 17.43315 180.4610       7.179444  200.1784       10.89129  165.3092       9.547445  921.5497 25.12415 837.5126 24.23408 84.03711       34.90721 
1 1 1 0   14 6  o 487.3508 18.46709 55.92601       4.233597  53.95363       5.875486  58.05589       6.105560  477.6873 26.24820 495.5645 26.28522 -17.87720      37.14675 
1 1 1 0   14 7  o 939.0644 27.20274 207.9073       12.01648  207.9073       12.01648  0.000000       0.000000  939.0644 27.20274 ?        ?        0.000000       27.20274 
1 1 1 0   14 8  f 1252.056 13.51065 368.9291       7.957363  375.7052       11.60013  362.9067       10.93603  1263.096 19.52347 1241.457 18.72659 21.63904       27.05275 
1 1 1 0   14 9  o 853.3086 11.15664 171.3287       4.478256  179.5593       6.761813  164.8978       5.976979  873.3536 16.45901 836.9943 15.18063 36.35925       22.39086 
1 1 1 0   14 10 o 1322.811 17.30718 411.9910       10.76945  427.2184       13.31425  383.1749       18.31563  1346.702 21.01725 1274.307 30.55473 72.39502       37.08525 
1 1 1 0   14 11 o 884.2128 12.17879 183.9895       5.065595  188.0748       7.470506  180.5124       6.892072  893.6967 17.77013 875.6030 16.73298 18.09363       24.40840 
1 1 1 0   14 12 o 489.0511 12.63387 56.28948       2.906431  63.85859       4.424666  50.54492       3.854664  520.7203 18.06370 463.2819 17.68772 57.43842       25.28147 
1 1 1 0   14 13 o 1374.220 21.77187 445.1021       14.07412  0.000000       0.000000  445.1021       14.07412  ?        ?        1374.220 21.77187 0.000000       21.77187 
1 1 1 0   14 14 o 492.1020 13.91339 57.01128       3.220753  54.94339       4.684151  58.86560       4.435665  482.8214 20.62411 499.8426 18.86497 -17.02118      27.95069 
1 1 1 0   14 15 o 558.8265 13.91711 73.52862       3.658435  75.17979       5.347101  72.07540       5.016342  564.7378 20.12807 553.0057 19.28361 11.73212       27.87466 
1 1 1 0   14 16 o 270.6724 31.26094 17.56452       3.907088  17.56452       3.907088  0.000000       0.000000  270.6724 31.26094 ?        ?        0.000000       31.26094 
1 1 1 0   14 17 o 1532.249 17.65331 553.4822       12.72404  542.7225       17.71858  564.9393       18.28373  1515.563 24.85339 1546.191 25.13810 -30.62793      35.34990 
1 1 1 0   14 18 o 271.7589 22.87720 17.57382       2.897325  16.93963       4.127954  18.18959       4.067585  264.9162 33.90282 275.0214 32.04200 -10.10519      46.64859 
1 1 1 0   14 19 o 133.4329 47.11912 3.785500       3.686745  0.000000       0.000000  3.785500       3.686745  ?        ?        133.4329 47.11912 0.000000       47.11912 
1 1 1 0   14 20 o 336.7831 20.77863 26.93182       3.275747  21.19436       4.596641  32.85241       4.669427  296.1435 33.59079 370.9855 26.94081 -74.84195      43.05982 
1 1 1 0   14 21 o 307.7981 39.22879 23.17516       5.550768  15.74911       7.601398  31.65874       8.124642  246.0610 64.78251 356.7936 49.76266 -110.7326      81.68902 
1 1 1 0   14 22 o 115.7118 43.64852 2.472893       3.241572  6.089734       4.489967  -1.464625      4.684786  158.8524 52.06777 105.2227 46.86344 53.62976       70.05166 
1 1 1 0   14 23 o 253.2300 27.18254 15.50709       3.187324  15.00239       4.662333  15.94992       4.367238  244.5416 42.04620 253.7705 37.73279 -9.228851      56.49466 
1 1 1 0   14 24 o 577.6649 17.60046 79.15517       4.782658  76.35005       6.835419  81.84556       6.694192  564.6264 25.73562 585.1546 24.31970 -20.52820      35.40862 
1 1 1 0   14 25 o 115.6551 50.02902 0.1193520      4.998375  0.000000       0.000000  0.1193520      4.998375  ?        ?        115.6551 50.02902 0.000000       50.02902 
1 1 1 0   14 26 o 163.6438 40.11229 6.911915       3.063857  4.842492       4.220936  9.216572       4.454379  142.8167 50.41901 186.3921 49.83872 -43.57538      70.89411 
1 1 1 0   14 27 o 105.2491 41.19360 1.884684       2.962225  -2.051779      4.172334  5.885519       4.206310  93.71268 42.73921 151.9770 50.42445 -58.26431      66.10041 
1 1 1 0   14 28 o 101.3493 41.88599 1.117931       3.247961  3.056337       4.596561  -0.8150013     4.590065  128.9010 51.04391 104.4710 46.46723 24.43004       69.02670 
1 1 1 0   14 29 o 329.5948 24.03502 26.43248       3.700754  23.53061       5.227599  29.34784       5.239735  303.8449 37.36192 342.5439 32.92356 -38.69904      49.79833 
1 1 1 0   14 30 o 168.6948 43.32195 7.704333       3.455689  5.558859       5.450409  9.146525       4.468678  149.1986 56.52169 180.6032 50.58475 -31.40465      75.85195 
1 1 1 0   14 31 o 99.83949 44.12162 -0.1242632     4.073998  0.000000       0.000000  -0.1242632     4.073998  ?        ?        99.83949 44.12162 0.000000       44.12162 
1 1 1 0   14 32 o 119.7376 42.84114 3.676397       3.057262  -0.9741380     4.709935  7.062632       4.019037  100.4800 45.66413 155.8117 49.10159 -55.33168      67.05356 
1 1 1 0   14 33 o 117.3067 45.08636 3.429409       3.499693  5.475625       4.875042  1.253567       5.027085  138.2893 53.19842 112.0654 49.29037 26.22395       72.52318 
1 1 1 0   16 0  o 1478.560 29.92454 514.8633       20.81305  0.000000       0.000000  514.8633       20.81305  ?        ?        1478.560 29.92454 0.000000       29.92454 
1 1 1 0   16 1  o 997.8659 11.44600 234.2891       5.372734  244.5417       7.833613  225.1826       7.382797  1019.261 16.33833 978.0978 16.04609 41.16290       22.90018 
1 1 1 0   16 2  o 931.6633 10.98452 204.2269       4.814037  207.0847       6.782286  201.3251       6.834166  937.9985 15.37109 924.8479 15.70890 13.15057       21.97817 
1 1 1 0   16 3  o 2344.625 22.13744 1294.859       24.41575  1355.124       36.37241  1245.430       32.94032  2396.595 32.26325 2297.934 30.47340 98.66064       44.37956 
1 1 1 0   16 4  o 396.3523 19.24720 36.99054       3.588544  39.00119       5.008340  34.86921       5.144327  405.9306 26.37141 383.4871 28.72600 22.44345       38.99531 
1 1 1 0   16 5  o 2144.368 29.94973 1084.550       30.21075  1160.821       45.94512  1026.457       40.09818  2214.888 44.09795 2083.635 40.91039 131.2527       60.15221 
1 1 1 0   16 6  o 581.4669 26.08363 79.69679       7.134479  0.000000       0.000000  79.69679       7.134479  ?        ?        581.4669 26.08363 0.000000       26.08363 
1 1 1 0   16 7  o 599.9002 18.89074 84.74584       5.330861  88.02022       7.691036  81.71820       7.395594  611.0111 26.75879 588.7344 26.70449 22.27673       37.80427 
1 1 1 0   16 8  o 1294.669 14.05131 394.5121       8.557464  407.8865       12.38311  382.2866       11.83936  1315.960 20.00403 1274.017 19.75530 41.94336       28.11464 
1 1 1 0   16 9  o 507.0870 9.752531 60.50056       2.326319  71.35501       3.745916  53.68609       2.968044  550.5822 14.46327 477.6052 13.21089 72.97699       19.58861 
1 1 1 0   16 10 o 581.0590 10.15861 79.44379       2.776666  84.62988       4.442008  76.11776       3.557318  599.5502 15.75014 568.6813 13.29794 30.86896       20.61316 
1 1 1 0   16 11 o 1252.729 17.13002 369.5797       10.09448  373.2773       12.11365  361.1772       18.26067  1258.637 20.45998 1236.546 31.39331 22.09094       37.47200 
1 1 1 0   16 12 o 1095.179 24.86389 282.9370       12.80925  282.9370       12.80925  0.000000       0.000000  1095.179 24.86389 ?        ?        0.000000       24.86389 
1 1 1 0   16 13 o 691.8663 12.21798 112.6752       3.976408  117.3811       5.957734  108.8947       5.339848  705.8431 17.94335 679.9269 16.69542 25.91620       24.50920 
1 1 1 0   16 14 o 1101.091 32.32944 286.9501       16.74521  286.9501       16.74521  0.000000       0.000000  1101.091 32.32944 ?        ?        0.000000       32.32944 
1 1 1 0   16 15 o 547.9847 20.84797 70.84148       5.374048  70.84148       5.374048  0.000000       0.000000  547.9847 20.84797 ?        ?        0.000000       20.84797 
1 1 1 0   16 16 o 746.9976 13.83853 131.4502       4.862710  116.5454       6.629686  148.8059       7.154029  702.7661 20.05455 794.2121 19.14895 -91.44604      27.72845 
1 1 1 0   16 17 o 438.4335 19.96506 45.38893       4.117594  44.15882       4.664354  49.73246       8.764787  431.5642 23.05960 454.2040 41.48016 -22.63980      47.45892 
1 1 1 0   16 18 o 451.4437 16.49445 48.08794       3.502763  49.73872       5.155025  46.67205       4.774176  457.6903 24.02764 443.5010 22.96282 14.18927       33.23580 
1 1 1 0   16 19 o 463.4063 16.91212 50.71134       3.686627  50.58789       5.296366  50.82737       5.134745  461.1947 24.50107 462.4559 23.68311 -1.261200      34.07627 
1 1 1 0   16 20 o 425.0651 21.17854 42.81329       4.234681  37.93104       8.468154  44.44132       4.890021  392.0229 46.84869 431.9353 24.16394 -39.91238      52.71334 
1 1 1 0   16 21 o 288.9110 25.36643 20.02684       3.412510  22.07395       4.653672  17.64566       5.019049  301.3463 33.39049 266.6448 41.35395 34.70148       53.15143 
1 1 1 0   16 22 o 63.75304 30.75808 -4.212667      2.768780  -3.901984      4.025649  -4.491569      3.814194  84.73016 39.77823 79.29421 37.67154 5.435951       54.78551 
1 1 1 0   16 23 o 600.8806 20.85043 85.91620       5.893488  88.67135       6.937879  78.77528       11.16943  609.2120 24.20968 563.8510 42.42207 45.36102       48.84404 
1 1 1 0   16 24 o 285.8685 27.14498 19.81928       3.606482  19.92569       5.992597  19.75885       4.515839  278.4816 47.44649 282.7953 34.67301 -4.313721      58.76553 
1 1 1 0   16 25 o 220.0652 30.78098 11.96147       3.099217  10.88131       4.407296  13.01810       4.359014  203.9348 46.91818 225.2224 42.70687 -21.28761      63.44440 
1 1 1 0   16 26 o 412.1179 23.60413 40.90829       4.556885  38.22830       8.122961  42.13903       5.504655  386.3132 45.57738 416.1828 28.28537 -29.86963      53.64103 
1 1 1 0   16 27 o 107.2959 41.47023 2.106986       2.973311  -1.171111      4.049925  5.939692       4.379139  96.48246 43.22712 152.5629 51.46090 -56.08039      67.20720 
1 1 1 0   16 28 o 258.1536 27.97034 16.43038       3.342282  14.73440       4.924581  17.87874       4.550904  235.4546 46.11232 264.7740 37.59453 -29.31947      59.49533 
1 1 1 0   16 29 o 121.3696 46.02881 3.196663       3.617059  2.715515       4.262121  4.435196       6.838173  122.1207 48.89281 149.1133 61.10619 -26.99265      78.25902 
1 1 1 0   16 30 o 98.51152 40.01499 1.453548       2.899974  -5.136743      4.496563  6.146771       3.794583  83.21404 39.90654 149.6876 47.76850 -66.47358      62.24437 
1 1 1 0   16 31 o 197.0716 35.07312 10.22189       3.132209  12.01843       5.056502  9.103352       3.989860  201.5343 52.72973 178.7208 46.87706 22.81345       70.55412 
1 1 1 0   16 32 o 421.5245 26.74550 44.71267       5.275793  35.76100       7.362258  54.16172       7.564028  356.7035 44.86963 452.6976 35.81260 -95.99411      57.40928 
1 1 1 0   18 0  o 524.0971 14.25280 64.62646       3.513835  72.85970       5.134226  57.37218       4.819334  556.3964 19.61649 493.7132 20.75119 62.68326       28.55554 
1 1 1 0   18 1  o 704.0507 11.95997 116.6422       3.960986  142.0036       7.853971  107.9912       4.587067  776.4137 21.50438 677.3661 14.39601 99.04755       25.87824 
1 1 1 0   18 2  o 895.3168 12.24100 188.6312       5.155408  195.0227       6.577278  178.4483       8.301961  910.2258 15.36129 870.4299 20.27578 39.79584       25.43770 
1 1 1 0   18 3  o 841.8187 10.46189 166.7403       4.142839  171.4386       5.920789  162.2336       5.798834  853.4371 14.74819 830.2051 14.84861 23.23199       20.92822 
1 1 1 0   18 4  o 1193.134 20.00157 335.2998       11.22594  334.7206       15.67531  335.9097       16.08434  1191.297 27.97220 1193.330 28.65322 -2.032837      40.04311 
1 1 1 0   18 5  o 1509.567 23.34796 537.0453       16.57947  569.2628       24.71936  510.7016       22.35268  1552.483 33.84863 1470.736 32.30916 81.74695       46.79329 
1 1 1 0   18 6  o 1208.672 20.97483 344.1802       11.92550  368.3116       17.74790  324.3163       16.10232  1249.202 30.20266 1172.353 29.19851 76.84814       42.00897 
1 1 1 0   18 7  o 790.8279 19.18612 147.3143       7.137375  158.8882       10.53217  137.4852       9.705926  820.6875 27.28165 763.4346 27.02687 57.25287       38.40235 
1 1 1 0   18 8  o 817.2880 27.45379 157.6100       10.55472  157.6100       10.55472  0.000000       0.000000  817.2880 27.45379 ?        ?        0.000000       27.45379 
1 1 1 0   18 9  o 867.9024 19.98837 177.4910       8.160518  179.5184       11.51579  175.4459       11.56581  872.0701 28.07197 862.0716 28.52091 9.998535       40.01846 
1 1 1 0   18 10 o 421.9420 10.50053 41.89706       2.084172  36.00060       2.865399  48.52094       3.037009  390.9963 15.57913 453.9690 14.22167 -62.97269      21.09419 
1 1 1 0   18 11 o 1043.259 12.54133 256.2117       6.154674  268.8160       9.345065  246.5565       8.179055  1068.059 18.60021 1023.043 16.99573 45.01563       25.19569 
1 1 1 0   18 12 o 244.5906 22.76640 14.23685       2.589328  14.43430       2.846721  13.29073       6.231494  246.0085 24.94436 230.9048 57.57010 15.10368       62.74184 
1 1 1 0   18 13 f 517.4280 11.55618 63.03010       2.812765  64.47961       4.447052  62.06352       3.631439  522.9881 18.07636 513.2778 15.04032 9.710327       23.51523 
1 1 1 0   18 14 o 213.9698 19.41969 10.88967       1.933337  9.900252       3.274302  11.41926       2.395505  201.1641 35.91967 218.5774 23.67670 -17.41328      43.02103 
1 1 1 0   18 15 o 437.3585 16.81750 45.11147       3.459938  43.16291       8.116224  45.54423       3.824901  423.0353 41.31302 439.3263 18.50818 -16.29102      45.26940 
1 1 1 0   18 16 o 212.5142 23.42037 10.81441       2.302389  13.55468       3.521711  8.768891       3.042699  236.5402 32.50990 188.7805 35.56834 47.75975       48.18713 
1 1 1 0   18 17 o 391.3848 16.10314 36.15011       2.964721  31.86923       4.285814  40.07835       4.105494  365.7714 25.05995 411.0415 21.30606 -45.27008      32.89300 
1 1 1 0   18 18 o 219.1718 33.46374 11.73801       3.340693  12.49336       3.753772  8.861475       7.325338  225.4783 36.64974 193.6999 66.54404 31.77835       75.96916 
1 1 1 0   18 19 o 171.1196 33.07500 7.245956       2.566041  4.326085       3.649641  10.10048       3.608569  137.6613 46.97679 201.2266 39.53262 -63.56534      61.39745 
1 1 1 0   18 20 o 379.2086 18.83016 34.06625       3.358934  39.54611       5.137443  29.97476       4.439188  406.1686 27.04338 353.4140 26.90450 52.75464       38.14705 
1 1 1 0   18 21 o 94.30974 40.44957 0.1043918E-01  3.213994  7.357313       7.296833  -1.758014      3.579974  179.8380 65.92609 88.50395 40.05875 91.33406       77.14242 
1 1 1 0   18 22 o 502.1655 16.70889 59.75282       3.946970  54.62581       5.559842  64.96184       5.604138  477.3918 24.84397 521.9268 22.82601 -44.53491      33.73795 
1 1 1 0   18 23 o 148.4206 39.05022 5.609571       2.763187  1.663221       4.143011  8.771507       3.708471  116.8852 47.69248 184.5754 43.43568 -67.69023      64.50761 
1 1 1 0   18 24 o 169.8527 43.71979 7.468523       3.513788  7.138631       4.031741  8.510702       7.166028  165.8756 48.56420 183.8622 65.61012 -17.98654      81.62824 
1 1 1 0   18 25 o 223.5478 29.68322 12.31395       3.044229  11.62383       4.466921  12.91244       4.159842  210.8074 46.31133 224.7622 40.84921 -13.95485      61.75271 
1 1 1 0   18 26 o 172.1908 40.70523 7.706512       3.245054  9.834232       4.387405  5.136743       4.821671  192.0272 48.54473 147.5143 53.66425 44.51286       72.36327 
1 1 1 0   18 27 o 337.3689 27.00371 27.82381       4.249544  41.34959       8.942188  23.87807       4.829770  395.9781 49.05706 309.0927 33.76693 86.88541       59.55503 
1 1 1 0   18 28 o 181.8727 33.93386 8.474652       2.796368  5.123143       4.043705  11.54639       3.871253  141.8485 49.40011 209.7098 40.71111 -67.86128      64.01379 
1 1 1 0   18 29 o 134.1284 42.50269 4.748970       3.008158  4.637337       4.918025  4.815701       3.802400  139.5605 53.49290 136.6640 47.88604 2.896423       71.79529 
1 1 1 0   18 30 o 130.4708 43.79136 4.523554       3.170950  6.516053       5.103586  3.270749       4.046859  152.5317 55.25333 122.4111 48.07808 30.12067       73.24228 
1 1 1 0   18 31 o 188.3399 42.01891 9.898170       3.628105  9.655173       5.336535  10.10702       4.947369  175.5032 56.71646 181.4593 53.97569 -5.956070      78.29516 
1 1 1 0   20 0  o 588.6212 14.38365 81.52660       3.982670  87.66351       5.666411  75.53508       5.598888  610.2567 19.73905 566.4399 21.01255 43.81677       28.82980 
1 1 1 0   20 1  o 418.8772 12.99995 41.29730       2.561519  42.65755       4.578309  40.67748       3.090499  424.7800 22.99813 415.6512 15.80630 9.128784       27.90614 
1 1 1 0   20 2  o 522.2682 12.55828 64.19756       3.085269  67.41975       5.642261  62.82315       3.684987  534.8212 22.42721 516.5678 15.16489 18.25342       27.07311 
1 1 1 0   20 3  o 909.3771 10.95246 194.6052       4.685166  197.4123       6.603693  191.7601       6.648182  915.6827 15.33107 902.4589 15.66052 13.22382       21.91560 
1 1 1 0   20 4  o 989.1880 18.90583 230.5128       8.797188  251.4269       12.92950  212.4852       12.00417  1032.273 26.62675 948.9407 26.89204 83.33203       37.84396 
1 1 1 0   20 5  o 647.4332 27.15509 98.92986       8.270189  0.000000       0.000000  98.92986       8.270189  ?        ?        647.4332 27.15509 0.000000       27.15509 
1 1 1 0   20 6  o 780.8603 19.12165 143.6715       7.023734  152.4079       10.07298  135.4043       9.798818  803.5680 26.64808 757.3305 27.50546 46.23749       38.29713 
1 1 1 0   20 7  o 410.6643 23.46717 39.90948       4.514516  43.90607       6.282383  35.64210       6.491741  429.8290 31.28600 386.2965 36.14507 43.53253       47.80460 
1 1 1 0   20 8  f 575.5291 20.83243 78.09943       5.639967  77.40785       7.856695  78.83472       8.101157  571.5433 29.32147 576.7047 29.96561 -5.161377      41.92477 
1 1 1 0   20 9  o 347.9214 27.02792 28.77095       4.388751  24.06064       6.056958  33.97741       6.367979  315.4543 41.85086 376.8190 36.37744 -61.36469      55.45099 
1 1 1 0   20 10 o 781.0722 20.65746 143.9149       7.589924  150.1487       10.98897  138.2283       10.49557  796.6164 29.32504 764.3615 29.19025 32.25488       41.37667 
1 1 1 0   20 11 o 549.3489 11.13435 71.04848       2.877281  70.65993       3.654051  71.68252       4.667775  547.6802 14.18333 551.3661 17.99702 -3.685852      22.91418 
1 1 1 0   20 12 o 579.4937 10.42891 79.05897       2.842870  98.27406       4.914197  69.39378       3.485270  645.6563 16.18013 542.7324 13.65153 102.9240       21.16981 
1 1 1 0   20 13 o 440.5252 16.22921 45.76328       3.363082  45.41824       3.722670  47.29489       7.843254  438.7265 18.03813 443.7041 37.94288 -4.977661      42.01233 
1 1 1 0   20 14 o 833.5454 12.21153 163.6920       4.788158  156.8434       6.895202  170.0702       6.654185  815.1229 17.98269 849.0159 16.66133 -33.89301      24.51484 
1 1 1 0   20 15 o 583.2976 11.94245 80.17004       3.276823  65.74696       4.656601  94.31800       4.611977  527.5228 18.76543 632.2810 15.50628 -104.7582      24.34309 
1 1 1 0   20 16 o 110.1000 34.79467 2.864482       2.017060  3.148038       6.285723  2.831931       2.129689  149.0399 59.47775 110.3793 35.84410 38.66055       69.44352 
1 1 1 0   20 17 o 517.0028 14.29404 63.08033       3.476299  58.29370       5.770753  65.80667       4.355202  494.7043 24.87738 527.6056 17.54808 -32.90125      30.44371 
1 1 1 0   20 18 o 245.9444 20.04849 14.42784       2.299284  11.12396       3.426745  17.13338       3.100964  212.2815 35.57501 267.2093 24.95941 -54.92780      43.45749 
1 1 1 0   20 19 o 495.3525 19.19635 58.16759       4.473036  59.91261       5.102817  52.37812       9.294561  502.2050 21.60029 460.9240 43.37799 41.28104       48.45846 
1 1 1 0   20 20 o 213.3037 25.12858 11.00556       2.472990  13.84620       3.705343  8.723882       3.320836  237.1044 34.21136 185.9644 39.19767 51.14001       52.02763 
1 1 1 0   20 21 o 379.1262 17.33151 34.07490       3.090933  33.82487       4.489339  34.30024       4.261996  375.1723 25.59071 378.2694 24.07729 -3.097046      35.13688 
1 1 1 0   20 22 o 171.7394 39.29245 7.509477       3.105520  8.671226       6.976346  7.222375       3.468087  185.9239 64.87848 167.6526 43.57467 18.27129       78.15350 
1 1 1 0   20 23 o 342.0598 19.76501 27.94517       3.166751  20.32012       4.549613  35.11121       4.410548  286.8526 34.40313 381.9980 24.67688 -95.14536      42.33821 
1 1 1 0   20 24 o 307.1572 22.08534 22.67608       3.169753  24.90643       4.616077  20.68607       4.360269  318.7075 31.18988 289.6620 32.56466 29.04547       45.09175 
1 1 1 0   20 25 o 205.7115 33.86609 10.63279       3.163058  10.85814       4.195147  10.33591       4.815148  203.5034 45.01676 196.0830 51.52960 7.420410       68.42374 
1 1 1 0   20 26 o 111.2312 39.84588 2.778762       2.645467  5.598071       3.759400  0.1323242E-01  3.723372  147.1944 47.60718 99.16554 43.03744 48.02884       64.17683 
1 1 1 0   20 27 o 135.8210 38.28475 4.809318       2.551245  1.987100       3.463668  8.156423       3.772034  110.0632 44.07212 173.9334 45.55929 -63.87025      63.38770 
1 1 1 0   20 28 o 330.3875 22.96755 26.60454       3.547314  18.08859       5.485991  32.72354       4.650275  258.1095 46.91172 363.9857 27.35986 -105.8763      54.30719 
1 1 1 0   20 29 o 211.1357 31.32665 11.39986       3.016960  13.88526       4.848429  9.829435       3.853992  222.6949 47.71890 188.6601 44.20084 34.03482       65.04466 
1 1 1 0   20 30 o 187.9765 40.97435 9.740306       3.520864  12.12545       4.873970  7.137337       5.091670  202.3946 51.16586 155.3125 55.31718 47.08214       75.35207 
1 1 1 0   22 0  o 1070.962 17.57940 270.0154       8.856202  283.3235       12.86437  258.0262       12.21033  1096.524 24.94026 1046.437 24.80532 50.08691       35.17557 
1 1 1 0   22 1  o 1230.708 15.28927 356.7459       8.851377  360.4815       10.91839  349.5839       15.11810  1236.695 18.76838 1216.597 26.41686 20.09729       32.40528 
1 1 1 0   22 2  o 1020.900 11.90877 245.3480       5.718993  247.7191       8.020679  242.8957       8.156793  1025.400 16.62833 1015.321 17.07838 10.07898       23.83637 
1 1 1 0   22 3  o 759.0853 14.78642 135.7121       5.279867  0.000000       0.000000  135.7121       5.279867  ?        ?        759.0853 14.78642 0.000000       14.78642 
1 1 1 0   22 4  o 518.2939 27.60658 63.67420       6.706407  0.000000       0.000000  63.67420       6.706407  ?        ?        518.2939 27.60658 0.000000       27.60658 
1 1 1 0   22 5  o 829.9903 28.06441 162.9013       10.95717  0.000000       0.000000  162.9013       10.95717  ?        ?        829.9903 28.06441 0.000000       28.06441 
1 1 1 0   22 6  o 173.3860 55.66572 7.077884       5.147037  7.077884       5.147037  0.000000       0.000000  173.3860 55.66572 ?        ?        0.000000       55.66572 
1 1 1 0   22 7  o 913.2426 28.33493 197.3841       12.17244  197.3841       12.17244  0.000000       0.000000  913.2426 28.33493 ?        ?        0.000000       28.33493 
1 1 1 0   22 8  o 664.8141 20.99181 104.3372       6.564769  101.4269       8.912773  107.7884       9.705812  654.3923 28.95378 674.3276 30.59790 -19.93530      42.12544 
1 1 1 0   22 9  o 177.6305 47.81681 7.832654       4.083931  5.811534       5.494796  10.32699       6.104266  163.8124 57.55532 204.1625 59.75188 -40.35013      82.96326 
1 1 1 0   22 10 o 369.1431 40.40941 32.93698       6.902315  0.000000       0.000000  32.93698       6.902315  ?        ?        369.1431 40.40941 0.000000       40.40941 
1 1 1 0   22 11 o 303.5341 31.78115 22.13853       4.470533  22.71403       6.076709  21.45957       6.600272  304.7295 43.63795 294.4912 49.39434 10.23831       65.90957 
1 1 1 0   22 12 o 462.3888 25.38581 50.82475       5.500504  47.05708       7.479826  55.26160       8.116949  442.4041 36.26071 479.6529 36.24212 -37.24887      51.26725 
1 1 1 0   22 13 o 134.6251 26.66744 4.450964       1.629071  4.010751       1.938754  5.508324       3.004710  127.2779 32.32150 149.0974 41.38008 -21.81949      52.50705 
1 1 1 0   22 14 o 163.9290 30.51055 6.605987       2.266164  5.890825       2.416276  11.83115       6.531223  153.9996 34.24111 215.3365 61.45131 -61.33688      70.34712 
1 1 1 0   22 15 o 200.3649 14.82296 9.527847       1.387179  9.355459       2.722500  9.588295       1.612143  195.7171 30.57094 200.6871 17.24463 -4.969955      35.09929 
1 1 1 0   22 16 o 390.6238 12.45772 35.99054       2.289110  37.33651       4.331340  35.46889       2.696453  395.7823 23.36830 387.5579 14.79064 8.224396       27.65575 
1 1 1 0   22 17 o 502.0030 14.31872 59.51814       3.381268  60.07729       8.587252  59.41555       3.678427  497.3122 36.97194 501.3771 15.59655 -4.064850      40.12701 
1 1 1 0   22 18 o 308.2715 15.16879 22.46531       2.199650  21.33038       3.585733  23.15010       2.785293  297.8825 25.84578 311.9068 19.07520 -14.02423      32.12270 
1 1 1 0   22 19 o 98.10048 33.81747 2.132436       1.892659  4.804420       3.137416  0.6037456      2.373094  139.6150 43.28443 86.72866 35.82005 52.88638       56.18379 
1 1 1 0   22 20 o 111.0866 35.15813 2.965109       2.058835  -1.784834      3.190473  6.354501       2.695081  82.34927 37.48571 158.6076 36.82912 -76.25835      52.55057 
1 1 1 0   22 21 o 188.6274 25.68474 8.670011       2.219769  9.160731       3.497793  8.339108       2.872281  189.7887 40.41785 182.4740 34.73115 7.314713       53.29029 
1 1 1 0   22 22 o 457.3071 17.07165 49.62960       3.672423  42.77646       5.880250  54.01194       4.702227  419.7065 29.98117 475.9834 21.00112 -56.27689      36.60489 
1 1 1 0   22 23 o 221.6024 26.60590 11.98708       2.718016  11.52803       4.036846  12.36776       3.676136  211.8715 41.98834 221.7642 36.51049 -9.892639      55.64204 
1 1 1 0   22 24 o 179.8736 32.16301 8.125460       2.621514  8.351690       3.771178  7.913915       3.646715  178.2374 44.97820 173.6545 44.45346 4.582886       63.23882 
1 1 1 0   22 25 o 319.8115 19.19657 24.53302       2.874567  20.48888       3.943149  29.11998       4.199448  288.3062 29.49010 345.8195 26.00547 -57.51334      39.31858 
1 1 1 0   22 26 o 161.1252 33.59485 6.666524       2.463786  6.391593       3.412402  6.965919       3.560985  154.7858 44.49623 161.1509 45.16288 -6.365067      63.40031 
1 1 1 0   22 27 o 215.9871 28.64944 11.67577       2.838975  9.542212       4.205761  13.46169       3.847897  185.7433 47.84283 227.8020 37.19206 -42.05870      60.59856 
1 1 1 0   22 28 o 125.6402 40.86947 4.140203       2.768279  -2.267241      4.333391  8.557929       3.598197  92.01467 42.54366 176.2800 43.62781 -84.26528      60.93725 
1 1 1 0   24 0  o 983.7758 16.87494 227.9175       7.809221  233.1451       11.07096  222.7408       11.01705  994.3895 23.66788 971.9047 24.09752 22.48480       33.77661 
1 1 1 0   24 1  o 628.9481 10.47360 93.13043       3.098706  100.1240       4.444882  86.51775       4.322157  651.8455 14.49594 605.8849 15.16495 45.96063       20.97875 
1 1 1 0   24 2  o 315.8050 14.82843 23.50364       2.202843  22.10167       4.279671  24.00895       2.569342  303.8129 30.35192 318.6117 17.20696 -14.79883      34.89009 
1 1 1 0   24 3  o 977.5356 11.59195 225.0298       5.330381  253.9500       8.237411  204.1964       6.991489  1037.738 16.87461 930.6715 15.96996 107.0660       23.23343 
1 1 1 0   24 4  o 525.7211 19.13556 65.23103       4.732231  66.43877       6.836630  64.12010       6.556901  528.8787 27.57550 519.6652 26.91516 9.213562       38.53355 
1 1 1 0   24 5  o 481.7177 21.23758 54.82131       4.812459  59.66112       6.888911  50.20810       6.725713  500.6828 29.37818 458.7719 31.35318 41.91092       42.96626 
1 1 1 0   24 6  o 323.1832 28.84535 24.96827       4.339154  29.45898       5.888229  19.63139       6.419056  349.7324 36.32123 281.3091 50.35762 68.42328       62.08962 
1 1 1 0   24 7  o 139.9358 47.86403 4.366704       3.788888  1.934602       5.076360  7.425684       5.693112  131.1296 53.05490 177.6710 58.64943 -46.54135      79.08589 
1 1 1 0   24 8  o 718.7446 21.16028 122.1320       7.154270  144.1736       10.70976  104.3698       9.614034  779.0965 29.22262 662.5111 30.84915 116.5854       42.49272 
1 1 1 0   24 9  o 211.1722 41.81428 11.06995       4.006704  10.37158       5.455707  11.88764       5.903406  202.8462 55.54595 216.5912 57.12226 -13.74500      79.67625 
1 1 1 0   24 10 o 663.4926 21.73945 104.1911       6.785062  110.8502       9.639275  97.65161       9.552370  682.4360 30.02708 640.0804 31.72542 42.35559       43.68212 
1 1 1 0   24 11 o 700.8906 22.37208 116.3718       7.376086  109.8989       9.911765  124.4055       11.04229  678.8846 31.03743 721.8209 32.52075 -42.93622      44.95465 
1 1 1 0   24 12 o 94.05303 44.57225 -6.010702      5.275602  -6.010702      5.275602  0.000000       0.000000  94.05303 44.57225 ?        ?        0.000000       44.57225 
1 1 1 0   24 13 o 295.9826 52.99499 22.13734       7.107588  0.000000       0.000000  22.13734       7.107588  ?        ?        295.9826 52.99499 0.000000       52.99499 
1 1 1 0   24 15 o 114.7002 29.26536 3.265376       1.584174  4.515691       2.055321  1.435473       2.486474  134.5340 32.77855 96.82792 37.78413 37.70608       50.02074 
1 1 1 0   24 16 f 137.3451 19.53398 4.559299       1.226476  4.214827       2.506216  4.667773       1.406390  130.6055 38.30415 138.4578 22.35486 -7.852310      44.35028 
1 1 1 0   24 17 o 458.9863 11.40803 49.69190       2.463087  48.27262       4.087050  50.50137       3.086572  451.1897 19.25669 462.3468 14.19186 -11.15710      23.92130 
1 1 1 0   24 18 o 414.0193 14.66199 40.52170       2.855504  45.86802       7.884692  39.71463       3.063462  432.2242 39.20650 409.6935 15.89586 22.53070       42.30637 
1 1 1 0   24 19 o 286.1168 26.59231 19.76266       3.538106  19.76266       3.538106  0.000000       0.000000  286.1168 26.59231 ?        ?        0.000000       26.59231 
1 1 1 0   24 20 o 303.0576 15.46765 21.80293       2.197710  21.85572       3.734014  21.77496       2.718424  300.7228 26.67295 302.1068 19.22880 -1.384033      32.88150 
1 1 1 0   24 21 o 196.7716 40.61946 9.883953       3.635191  10.60642       4.260976  7.951844       6.968118  202.2138 45.85125 179.7822 64.63997 22.43156       79.25063 
1 1 1 0   24 22 o 252.1514 19.50402 15.23988       2.295431  14.83391       3.669449  15.50088       2.942171  244.6884 32.69791 252.7956 25.07238 -8.107193      41.20409 
1 1 1 0   24 23 o 236.7603 21.45879 13.52794       2.363952  12.54194       3.515942  14.34141       3.193532  223.4586 34.56409 241.5098 28.67041 -18.05127      44.90733 
1 1 1 0   24 24 o 128.2165 40.88578 4.147945       2.780276  2.606124       5.806090  4.606676       3.166984  134.8324 55.88564 134.8046 43.70540 0.2777100E-01  70.94622 
1 1 1 0   24 25 o 301.6330 26.18326 22.30795       3.678255  22.30795       3.678255  0.000000       0.000000  301.6330 26.18326 ?        ?        0.000000       26.18326 
1 1 1 0   24 26 o 222.0503 41.53258 13.08998       4.178720  9.994056       5.613369  16.93817       6.258298  185.3055 57.97089 242.9236 55.92441 -57.61809      80.54913 
1 1 1 0   26 0  o 908.7305 22.67387 194.8276       9.692369  194.8276       9.692369  0.000000       0.000000  908.7305 22.67387 ?        ?        0.000000       22.67387 
1 1 1 0   26 1  o 729.8884 10.89351 125.4799       3.740188  133.0074       5.352374  118.2964       5.228646  750.9607 15.15165 708.1431 15.69636 42.81763       21.81624 
1 1 1 0   26 2  o 764.1056 13.00841 137.6075       4.675704  168.5494       9.770873  128.4175       5.324988  843.4165 24.62759 737.8524 15.34193 105.5641       29.01539 
1 1 1 0   26 3  o 425.8129 9.868591 42.69747       1.976712  42.98455       2.786206  42.40653       2.804872  426.9903 13.87158 424.0959 14.05982 2.894440       19.75093 
1 1 1 0   26 4  o 111.2710 41.94703 2.213077       2.992572  1.352259       4.200325  3.100476       4.264681  117.5226 47.99474 131.7831 49.97944 -14.26048      69.29242 
1 1 1 0   26 5  o 441.0524 21.90909 46.04171       4.545523  46.78954       6.271399  45.21403       6.597685  442.3532 30.32180 434.2682 32.53357 8.084991       44.47297 
1 1 1 0   26 6  o 266.9150 42.32514 17.55351       5.136905  17.55351       5.136905  0.000000       0.000000  266.9150 42.32514 ?        ?        0.000000       42.32514 
1 1 1 0   26 7  o 94.54993 41.72115 -0.9635824     3.629338  -0.1388228     4.903464  -1.962842      5.397324  115.7631 49.81425 112.0310 50.06845 3.732079       70.62797 
1 1 1 0   26 8  o 593.5169 22.03627 83.45010       6.152342  77.67539       8.444762  89.98217       8.981470  569.6134 31.64112 613.3372 31.23334 -43.72375      44.45989 
1 1 1 0   26 9  o 264.2131 52.35250 17.65161       6.276674  0.000000       0.000000  17.65161       6.276674  ?        ?        264.2131 52.35250 0.000000       52.35250 
1 1 1 0   26 10 o 382.3542 27.89519 34.99954       4.982618  39.53627       6.971268  30.26159       7.124191  403.8925 37.10744 350.6648 44.16903 53.22766       57.68765 
1 1 1 0   26 11 o 167.2256 49.64117 6.975620       4.187827  3.504756       5.548721  11.56956       6.383618  144.8351 56.46395 212.1976 60.81820 -67.36247      82.98814 
1 1 1 0   26 12 o 718.6703 22.23875 122.5541       7.518122  119.4412       10.16823  126.3080       11.16616  706.7242 30.58625 725.9008 32.70071 -19.17651      44.77560 
1 1 1 0   26 13 o 284.9872 35.76894 19.84196       4.689496  17.86564       6.229989  22.42569       7.123320  264.9997 51.83408 297.2920 52.87424 -32.29230      74.04362 
1 1 1 0   26 14 f 218.3916 43.47782 12.00739       4.309542  10.15755       5.585075  14.72949       6.775084  198.7402 56.86463 237.3858 60.49622 -38.64557      83.02637 
1 1 1 0   26 15 o 186.4113 64.32373 8.406659       6.848325  0.000000       0.000000  8.406659       6.848325  ?        ?        186.4113 64.32373 0.000000       64.32373 
1 1 1 0   26 16 o 549.3889 35.91458 73.33532       9.230462  73.33532       9.230462  0.000000       0.000000  549.3889 35.91458 ?        ?        0.000000       35.91458 
1 1 1 0   26 17 o 223.7451 21.92870 12.02242       2.278335  12.85435       2.419326  5.502378       6.772928  231.2988 22.52142 164.6336 62.85338 66.66515       66.76647 
1 1 1 0   26 18 o 401.9355 12.19022 38.14767       2.304821  30.46943       3.534781  43.82655       3.039923  357.2035 21.13068 430.3765 15.01567 -73.17297      25.92250 
1 1 1 0   26 19 o 416.3314 12.12063 40.94362       2.373743  35.91089       3.769233  44.25162       3.055863  387.7716 20.73883 432.3252 15.02637 -44.55359      25.61037 
1 1 1 0   26 20 o 176.0412 31.67298 7.734498       2.526402  7.649321       2.786934  8.127231       5.984319  173.9967 35.25772 177.8854 60.15682 -3.888702      69.72768 
1 1 1 0   26 21 o 152.9661 48.08657 6.004144       3.857104  2.490488       5.228584  10.19917       5.713098  131.3852 53.58973 193.9848 58.07111 -62.59959      79.01970 
1 1 1 0   26 22 o 191.6577 47.42168 9.777894       4.252011  5.948277       6.069367  13.46909       5.958666  159.0852 59.78436 220.8836 56.97414 -61.79842      82.58464 
1 1 1 0   26 24 o 255.8577 57.98308 18.66528       6.817271  18.66528       6.817271  0.000000       0.000000  255.8577 57.98308 ?        ?        0.000000       57.98308 
1 1 1 0   28 0  o 383.2282 23.46446 34.80975       4.209597  34.80975       4.209597  0.000000       0.000000  383.2282 23.46446 ?        ?        0.000000       23.46446 
1 1 1 0   28 1  o 97.87888 29.06244 2.312203       1.435258  0.9693523      1.915784  4.030076       2.166847  83.88112 33.03671 127.7345 35.01745 -43.85341      48.14193 
1 1 1 0   28 2  o 424.1350 13.26796 42.41995       2.647145  49.37575       5.546715  40.36841       3.012329  455.2011 26.01172 413.5585 15.48446 41.64258       30.27174 
1 1 1 0   28 3  o 873.6431 12.24012 179.9172       5.030242  199.3460       8.534939  169.5765       6.226604  917.9689 19.76529 847.5750 15.61722 70.39398       25.19056 
1 1 1 0   28 4  o 379.1593 22.86713 34.19988       4.059436  40.84424       5.959520  28.44828       5.544716  412.6523 30.92629 342.9928 34.84972 69.65948       46.59333 
1 1 1 0   28 5  o 168.4704 53.43026 6.911416       4.753041  6.911416       4.753041  0.000000       0.000000  168.4704 53.43026 ?        ?        0.000000       53.43026 
1 1 1 0   28 6  o 436.8607 22.83938 45.37315       4.677196  38.07967       6.298388  54.34008       6.983672  397.4234 34.01828 476.0382 31.36262 -78.61478      46.26940 
1 1 1 0   28 7  o 285.3216 30.47921 19.64175       4.027496  13.79310       5.391280  27.02735       6.058387  233.2831 50.58652 332.7122 39.48001 -99.42915      64.16905 
1 1 1 0   28 8  o 275.8416 31.83353 18.42283       4.054770  13.32640       5.452274  24.72949       6.065191  228.7923 51.85787 317.2825 41.64338 -88.49017      66.50872 
1 1 1 0   28 9  o 382.6351 27.16812 35.03720       4.858267  30.94530       6.576615  39.95244       7.207962  355.8614 39.97914 405.4601 38.24334 -49.59875      55.32526 
1 1 1 0   28 10 o 278.5958 35.33610 18.93503       4.526760  21.56659       6.383045  16.27230       6.420731  293.5711 47.87164 251.7379 55.69619 41.83325       73.44222 
1 1 1 0   28 11 o 351.8256 41.40927 30.41023       6.722027  30.41023       6.722027  0.000000       0.000000  351.8256 41.40927 ?        ?        0.000000       41.40927 
1 1 1 0   28 12 o 147.5457 50.48159 5.038596       4.214640  4.292509       5.681942  5.951249       6.284270  150.7965 57.56942 166.4400 61.15591 -15.64348      83.98978 
1 1 1 0   28 13 o 378.8748 28.99643 34.54346       5.128614  34.89893       6.978730  34.12604       7.562276  377.0795 39.95216 371.1433 44.18363 5.936157       59.56818 
1 1 1 0   28 14 o 182.1829 61.75693 8.145066       6.307055  0.000000       0.000000  8.145066       6.307055  ?        ?        182.1829 61.75693 0.000000       61.75693 
1 1 1 0   28 15 o 362.1104 31.38995 31.78990       5.293989  37.30678       7.590190  26.56362       7.387582  388.0200 42.26804 323.2936 50.20623 64.72638       65.62966 
1 1 1 0   28 16 o 85.35078 39.51109 -2.839795      3.754575  0.8620690      5.068192  -7.342450      5.589554  121.5843 51.42112 92.54925 44.41243 29.03504       67.94553 
1 1 1 0   28 17 o 70.36991 34.19712 -5.922198      3.580466  -6.629014      4.669626  -4.913794      5.577590  83.20396 40.09382 100.0828 46.93339 -16.87881      61.72728 
1 1 1 0   28 18 o 137.9421 48.50700 4.419805       3.903312  2.551724       5.237361  6.753865       5.854243  132.8036 53.83452 166.9294 59.32998 -34.12581      80.11369 
1 1 1 0   28 19 o 116.9085 46.24954 2.232627       3.770202  0.1252676      5.260146  4.458978       5.406612  117.8920 51.15917 146.5428 56.10667 -28.65077      75.92904 
1 1 1 0   28 20 o 122.2996 53.35554 0.1351368      5.785296  0.000000       0.000000  0.1351368      5.785296  ?        ?        122.2996 53.35554 0.000000       53.35554 
1 1 1 0   28 21 o 89.71001 40.50460 -1.393587      3.634089  0.7455411      5.300733  -3.290726      4.991914  120.2146 51.76112 97.75401 45.36067 22.46058       68.82444 
1 1 1 0   30 0  o 462.0324 15.64147 50.30756       3.399534  47.59216       4.522599  53.83473       5.154470  449.0070 21.41242 477.4178 22.95177 -28.41074      31.38910 
1 1 1 0   30 1  o 185.0248 18.38078 8.174036       1.578617  8.569607       2.185844  7.742791       2.282280  188.2785 25.32230 178.2183 28.15915 10.06015       37.87026 
1 1 1 0   30 2  o 145.3519 26.78936 5.181115       1.764204  1.843639       3.805391  6.094828       1.991108  116.4497 46.33910 157.7396 27.85236 -41.28985      54.06538 
1 1 1 0   30 3  o 502.7335 9.191108 59.52700       2.173577  63.99647       2.998361  54.57692       3.155457  520.9883 12.23451 480.9455 13.94752 40.04288       18.55308 
1 1 1 0   30 4  o 176.9457 37.88175 7.812889       3.057953  5.466707       4.267763  10.28835       4.383767  152.4646 50.80128 201.6317 47.07418 -49.16708      69.25856 
1 1 1 0   30 5  o 256.3528 44.14444 16.37337       5.131245  16.37337       5.131245  0.000000       0.000000  256.3528 44.14444 ?        ?        0.000000       44.14444 
1 1 1 0   30 6  o 554.2486 21.61488 72.84077       5.635425  81.06422       8.093265  65.10107       7.851617  581.9036 29.66521 520.4678 32.22832 61.43573       43.80285 
1 1 1 0   30 7  o 306.0574 30.43842 22.60815       4.324087  18.35018       5.648582  28.63555       6.720523  270.8721 45.97454 340.9297 42.85207 -70.05759      62.84869 
1 1 1 0   30 8  o 307.1890 46.21933 23.52556       6.471903  0.000000       0.000000  23.52556       6.471903  ?        ?        307.1890 46.21933 0.000000       46.21933 
1 1 1 0   30 9  o 305.2764 31.62155 22.57156       4.475090  25.15458       6.000394  19.33413       6.717633  319.5235 40.85716 274.9073 53.87346 44.61618       67.61403 
1 1 1 0   30 10 f 199.3181 44.20221 10.07022       4.035785  12.35434       5.555469  7.517837       5.872653  218.5477 54.28350 176.2728 59.59301 42.27481       80.61034 
1 1 1 0   30 11 o 297.2084 30.62992 21.40918       4.220933  19.82164       5.675547  23.37396       6.313962  281.3727 44.34871 305.6499 45.28468 -24.27722      63.38383 
1 1 1 0   30 12 o 413.3828 25.96931 40.97308       5.024231  36.92034       7.026063  45.21404       7.187354  387.6544 39.06223 430.7463 35.79564 -43.09186      52.98288 
1 1 1 0   30 13 o 163.7056 47.12088 6.823709       3.824629  2.641498       5.279688  11.44174       5.547965  135.0859 54.29914 208.9338 55.50687 -73.84785      77.64928 
1 1 1 0   30 14 o 150.9566 46.63422 5.712654       3.645494  12.04816       5.162816  -0.5870987     5.148229  214.7835 51.71820 114.2003 50.06314 100.5832       71.97980 
1 1 1 0   30 15 o 97.28918 41.43322 0.2686621      3.329425  -3.424495      4.638252  4.194412       4.782079  94.44493 43.78946 141.8187 53.11169 -47.37381      68.83581 
1 1 1 0   30 16 o 167.9008 53.53405 7.244352       4.766652  7.244352       4.766652  0.000000       0.000000  167.9008 53.53405 ?        ?        0.000000       53.53405 
1 1 1 0   30 17 o 93.81542 41.11103 -0.4464242     3.468729  -6.245541      4.518912  7.871582       5.412060  82.02329 39.50452 173.9392 57.17216 -91.91587      69.49290 
1 1 1 0   30 18 o 119.7410 45.67725 2.814772       3.575174  -2.372473      4.792278  9.325209       5.368818  99.94191 45.66714 185.8003 56.44658 -85.85835      72.60650 
1 1 1 0   32 0  o 483.4289 23.70518 55.26160       5.390700  55.26160       5.390700  0.000000       0.000000  483.4289 23.70518 ?        ?        0.000000       23.70518 
1 1 1 0   32 1  o 611.6982 16.73481 88.47721       4.815344  92.44947       6.763340  84.39359       6.857487  623.7914 23.04902 595.6122 24.47553 28.17914       33.62007 
1 1 1 0   32 2  o 156.8363 47.43623 6.108799       3.797766  0.000000       0.000000  6.108799       3.797766  ?        ?        156.8363 47.43623 0.000000       47.43623 
1 1 1 0   32 3  o 470.0834 19.00920 52.34127       4.203472  57.34245       6.093346  47.80024       5.806255  489.7116 26.55046 446.6354 27.77345 43.07623       38.42253 
1 1 1 0   32 4  o 436.4830 19.89093 45.16307       4.084056  44.29251       5.804389  46.01665       5.747486  429.4750 28.89902 438.0497 28.03951 -8.574707      40.26621 
1 1 1 0   32 5  o 396.6672 22.16410 37.49194       4.119127  44.67896       6.313098  32.16409       5.435555  430.4565 31.39414 364.6905 32.00845 65.76605       44.83451 
1 1 1 0   32 6  f 217.5569 34.40382 11.66591       3.403775  19.32521       5.653002  7.309751       4.263208  277.7701 44.78690 170.0226 49.98465 107.7476       67.11431 
1 1 1 0   32 7  o 603.4836 21.03638 86.48739       5.971806  97.44353       9.030524  77.97266       7.961035  637.3692 30.11984 569.5273 29.81937 67.84186       42.38395 
1 1 1 0   32 8  o 305.6709 27.69359 22.53294       3.938778  22.55054       5.533225  22.51487       5.608075  301.8683 39.94786 301.3928 40.58795 0.4754944      56.94921 
1 1 1 0   32 9  o 389.3049 23.91111 36.26466       4.357646  34.57194       5.925715  38.25803       6.430470  376.8900 33.78243 396.1942 34.85852 -19.30420      48.54245 
1 1 1 0   32 10 o 176.1117 53.44109 7.942926       4.814355  7.942926       4.814355  0.000000       0.000000  176.1117 53.44109 ?        ?        0.000000       53.44109 
1 1 1 0   32 11 o 143.4135 46.32220 5.042779       3.560098  4.203330       4.934316  5.954222       5.141553  143.3572 53.89892 158.7663 55.68061 -15.40909      77.49467 
1 1 1 0   32 12 o 373.4602 25.42115 33.55605       4.439325  30.41023       6.215881  36.83116       6.342335  350.4666 38.32875 387.4942 35.17819 -37.02753      52.02497 
1 1 1 0   32 13 o 82.93474 39.65860 -5.475625      4.370705  0.000000       0.000000  -5.475625      4.370705  ?        ?        82.93474 39.65860 0.000000       39.65860 
1 1 1 1   1  0  o 551.9191 7.790761 71.66200       2.022668  66.88467       3.364512  74.36578       2.531133  533.0859 13.41701 562.2021 9.570910 -29.11615      16.48085 
1 1 1 1   1  1  o 214.6880 6.876832 10.84256       0.6944892 10.73160       0.8608866 11.04935       1.175224  213.5762 8.568876 216.3808 11.58810 -2.804626      14.41214 
1 1 1 1   1  2  o 876.8536 13.49572 180.9637       5.566630  0.000000       0.000000  180.9637       5.566630  ?        ?        876.8536 13.49572 0.000000       13.49572 
1 1 1 1   1  3  o 642.4067 8.381418 97.09013       2.532776  93.54637       3.487013  101.0476       3.684952  630.4926 11.75721 655.2783 11.95465 -24.78571      16.76739 
1 1 1 1   1  4  o 268.4200 9.066453 16.95140       1.144779  17.02023       1.631752  16.88468       1.606468  268.9212 12.89911 267.8503 12.75002 1.070984       18.13698 
1 1 1 1   1  5  f 515.4905 10.35780 62.52580       2.511641  61.18703       3.021837  65.51725       4.517110  509.8916 12.59865 527.4512 18.20577 -17.55963      22.13992 
1 1 1 1   1  6  o 1043.904 11.82905 256.4442       5.808712  251.4745       8.063422  261.8053       8.374950  1033.472 16.58636 1054.467 16.88418 -20.99426      23.66819 
1 1 1 1   1  7  o 858.6056 10.99427 173.4709       4.440475  170.9840       6.194308  176.1001       6.368892  852.2373 15.45122 864.8832 15.65442 -12.64594      21.99548 
1 1 1 1   1  8  o 1892.960 18.63424 843.9233       16.59291  842.5494       23.41800  845.3086       23.51412  1890.158 26.33797 1893.238 26.40305 -3.079956      37.29356 
1 1 1 1   1  9  f 1502.417 15.72320 531.4524       11.11222  539.5309       15.95772  523.8472       15.48312  1512.994 22.42147 1490.889 22.07721 22.10583       31.46626 
1 1 1 1   1  10 o 446.8647 12.32644 47.00115       2.591092  45.86656       3.634690  48.17356       3.694764  441.2742 17.51014 452.2411 17.36790 -10.96686      24.66270 
1 1 1 1   1  11 o 90.69917 35.12579 1.237223       2.136446  -0.5222949     3.701205  2.116432       2.616329  99.05448 42.94914 106.6836 39.41629 -7.629120      58.29471 
1 1 1 1   1  12 f 700.8655 14.62238 115.7498       4.820834  116.9505       5.903764  113.3472       8.351419  704.1719 17.82301 692.2126 25.64788 11.95923       31.23257 
1 1 1 1   1  13 o 404.8444 15.10704 38.63296       2.876981  35.68577       4.068652  41.58018       4.068678  387.9561 22.38970 419.6112 20.61279 -31.65518      30.43330 
1 1 1 1   1  14 f 666.0575 15.61959 104.5370       4.893851  103.2146       6.047816  107.0452       8.329355  661.4948 19.43582 672.8531 26.31612 -11.35840      32.71527 
1 1 1 1   1  15 o 670.4530 15.92874 105.8676       5.023647  111.8312       8.917295  103.0950       6.080339  688.1527 27.54730 661.3895 19.54345 26.76318       33.77573 
1 1 1 1   1  16 o 319.0598 19.39197 24.07160       2.896669  20.94143       4.021617  27.44630       4.175746  296.4030 29.22385 340.0688 26.30812 -43.66580      39.32112 
1 1 1 1   1  17 o 922.9380 14.57433 200.5317       6.327475  202.1248       9.014750  198.9846       8.883494  926.1657 20.69168 918.9547 20.55041 7.210999       29.16273 
1 1 1 1   1  18 o 871.9269 17.26582 179.0619       7.081686  181.5910       8.686278  174.0488       12.22926  877.7676 21.03705 858.3974 30.28604 19.37024       36.87549 
1 1 1 1   1  19 f 162.0869 39.82076 6.477365       3.014316  5.431194       4.121964  7.679925       4.419328  153.4686 49.86829 177.3149 50.53091 -23.84631      70.99450 
1 1 1 1   1  20 o 881.8256 22.58361 183.4630       9.367968  197.2949       13.54471  170.7789       12.97055  913.1253 31.53335 849.3986 32.46216 63.72668       45.25643 
1 1 1 1   1  21 o 1218.962 19.52193 350.4292       11.19392  341.2604       19.07476  355.2454       13.82478  1199.661 33.80113 1226.467 23.96256 -26.80579      41.43333 
1 1 1 1   1  22 o 1031.273 16.63192 250.7392       8.068359  240.8966       11.18349  261.4232       11.65167  1009.622 23.54775 1051.756 23.55069 -42.13464      33.30363 
1 1 1 1   1  23 f 346.3342 24.40489 28.53213       3.950525  28.55628       5.704658  28.50986       5.476119  344.2889 35.74489 344.3357 34.26318 -0.4675293E-01 49.51427 
1 1 1 1   1  24 o 107.3075 45.46261 0.3020470      3.972788  -0.9523462     4.845248  2.875446       6.939893  110.5765 48.51878 152.8510 61.96685 -42.27448      78.70174 
1 1 1 1   1  25 o 234.2293 33.65246 13.41778       3.601403  13.99702       5.330183  12.93123       4.885171  234.7079 49.81875 226.0524 47.45295 8.655487       68.80182 
1 1 1 1   1  26 o 141.3714 53.20430 3.958232       4.810238  0.2324317      7.096308  7.125446       6.542767  138.0587 59.66551 175.2335 62.67491 -37.17485      86.53391 
1 1 1 1   1  27 o 286.2559 32.73701 20.08769       4.328943  22.64566       7.374082  18.74259       5.347333  294.0936 55.33395 272.4050 43.16988 21.68854       70.18180 
1 1 1 1   1  28 o 258.4211 30.84737 16.42958       3.675754  16.16216       5.233906  16.68984       5.163414  249.8323 46.23866 254.6766 44.73233 -4.844223      64.33501 
1 1 1 1   1  29 o 245.8704 38.03251 15.35621       4.256766  27.04816       8.796267  11.78079       4.864278  311.4009 62.22593 209.4333 50.05577 101.9677       79.86017 
1 1 1 1   1  30 o 299.4026 34.45060 22.52178       4.763556  18.05489       5.599963  34.21522       9.060537  260.4363 47.45892 352.8769 56.48899 -92.44061      73.77909 
1 1 1 1   1  31 o 452.7205 21.42231 49.39817       4.562110  59.60001       6.813328  41.10683       6.142317  491.1347 29.62973 405.6191 32.46378 85.51559       43.95245 
1 1 1 1   1  32 o 476.8597 24.64837 55.61667       5.510119  60.95640       6.937533  46.49228       9.068749  494.8307 29.94534 415.3506 47.25682 79.48004       55.94579 
1 1 1 1   1  33 o 188.3421 41.88692 9.676682       3.615095  13.46931       5.211998  6.160402       5.018523  215.7076 51.97836 149.8223 54.71137 65.88530       75.46578 
1 1 1 1   1  34 o 423.6592 21.37525 43.97226       4.246136  46.34367       6.097028  41.73889       5.916907  426.1971 30.61553 403.5572 31.41640 22.63992       43.86685 
1 1 1 1   1  35 o 136.0095 50.27378 5.369803       4.257162  5.743164       6.072346  5.008918       5.970029  141.5837 57.75113 136.9816 56.71397 4.602081       80.94237 
1 1 1 1   1  36 o 117.0416 48.36369 3.364243       4.329252  1.615339       6.091971  5.148633       6.153467  115.9821 52.39767 133.0918 56.49433 -17.10972      77.05275 
1 1 1 1   3  0  o 497.5549 7.593557 58.23919       1.777279  56.20772       2.138017  62.78241       3.197337  488.7737 9.298952 516.4855 13.16015 -27.71182      16.11398 
1 1 1 1   3  1  f 744.8798 12.40534 130.5758       4.346746  129.8454       6.094920  131.3318       6.200906  742.5839 17.44830 746.8120 17.65121 -4.228027      24.81952 
1 1 1 1   3  2  o 774.1619 8.854855 141.0040       3.224650  136.6676       4.425505  145.9123       4.708308  762.0585 12.34540 787.3972 12.71164 -25.33862      17.71990 
1 1 1 1   3  3  o 1525.808 14.84436 548.0249       10.65444  545.1574       14.98230  550.9586       15.15448  1521.185 20.93761 1529.242 21.06666 -8.056641      29.70164 
1 1 1 1   3  4  o 912.6728 11.85363 196.0202       5.089041  193.5791       8.546674  197.3611       6.334388  906.5237 20.04235 915.6577 14.70626 -9.134033      24.85900 
1 1 1 1   3  5  o 447.9944 9.009067 47.21910       1.898548  47.10135       2.702846  47.33379       2.667410  447.3644 12.84371 448.4713 12.64404 -1.106842      18.02311 
1 1 1 1   3  6  o 989.4189 13.36007 230.4047       6.218106  234.0506       7.655420  223.3353       10.66002  997.0515 16.32233 973.4565 23.27942 23.59503       28.43149 
1 1 1 1   3  7  o 752.9266 12.03627 133.4079       4.262984  131.5409       5.252966  137.0095       7.295895  747.5292 14.93850 762.6362 20.33723 -15.10699      25.23414 
1 1 1 1   3  8  o 822.0462 11.21605 159.0181       4.337162  155.9120       6.070905  162.2560       6.198431  813.7773 15.85910 830.1677 15.87255 -16.39032      22.43766 
1 1 1 1   3  9  o 747.3459 13.19012 131.4654       4.637027  128.7753       8.110126  132.7719       5.651999  739.0651 23.32789 750.9163 16.00078 -11.85120      28.28808 
1 1 1 1   3  10 o 1126.643 13.43983 298.8290       7.122778  305.5596       10.29169  292.6413       9.867932  1138.699 19.21358 1114.411 18.82397 24.28735       26.89803 
1 1 1 1   3  11 o 787.0403 12.29721 145.8491       4.552742  145.8552       6.502304  145.8432       6.376633  786.6132 17.57263 786.6141 17.23298 -0.8544922E-03 24.61245 
1 1 1 1   3  12 o 582.6550 12.80108 79.96906       3.508549  83.59647       5.095840  76.69961       4.837879  595.2620 18.19862 570.1938 18.03695 25.06812       25.62267 
1 1 1 1   3  13 o 742.7501 15.42832 130.0281       5.390521  139.8327       6.787967  113.2878       8.869646  769.8599 18.74384 691.7531 27.25749 78.10681       33.08025 
1 1 1 1   3  14 o 263.9189 24.30318 16.58504       2.983293  15.26457       5.458524  17.14748       3.562421  248.7163 48.39709 267.7596 28.73247 -19.04338      56.28350 
1 1 1 1   3  15 o 915.7039 13.93274 197.4068       6.001516  191.7498       8.400208  203.3051       8.577418  902.0513 19.79655 928.8485 19.63100 -26.79718      27.87973 
1 1 1 1   3  16 o 394.2757 17.18652 36.60925       3.187551  43.02575       4.718150  31.22145       4.323427  426.5457 23.60642 362.9476 25.48453 63.59805       34.73794 
1 1 1 1   3  17 o 1238.704 18.13559 361.4011       10.56741  373.9596       18.76849  355.5720       12.78683  1258.212 31.71071 1228.249 22.13131 29.96350       38.66994 
1 1 1 1   3  18 o 2116.704 21.89899 1056.203       21.80487  1075.444       31.44040  1038.371       30.26659  2133.364 31.32952 2096.467 30.69066 36.89722       43.85722 
1 1 1 1   3  19 o 748.2687 17.77913 131.9144       6.258028  134.1456       7.635443  127.3484       10.92280  754.2726 21.51972 733.8563 31.64125 20.41632       38.26574 
1 1 1 1   3  20 o 843.0500 15.59147 167.4176       6.183147  165.8135       8.679884  169.0703       8.810153  838.3743 22.00932 846.5544 22.12378 -8.180054      31.20692 
1 1 1 1   3  21 o 620.8326 16.75608 90.84112       4.893462  90.04424       6.918243  91.63900       6.922560  617.4560 23.81884 622.9208 23.62461 -5.464783      33.54786 
1 1 1 1   3  22 o 257.7084 29.56642 15.94373       3.519368  12.10393       4.966969  19.81514       4.987371  220.3097 49.17404 286.0065 38.01188 -65.69681      62.15295 
1 1 1 1   3  23 o 428.4103 23.82220 43.57560       4.781804  47.91915       8.611280  41.63915       5.749757  445.2249 41.59877 417.7124 29.45054 27.51251       50.96854 
1 1 1 1   3  24 o 345.2240 23.88636 28.39563       3.855161  26.20632       5.503248  30.50528       5.402197  328.8082 36.17859 355.9632 32.62536 -27.15500      48.71657 
1 1 1 1   3  25 o 505.1637 22.40930 60.58268       5.325125  66.39348       6.505331  48.78122       9.270849  527.9397 26.19484 445.1368 44.88762 82.80286       51.97180 
1 1 1 1   3  26 o 396.2235 22.22829 37.46384       4.126277  37.57831       5.776965  37.34461       5.895720  394.0311 31.42881 392.5203 32.21453 1.510803       45.00607 
1 1 1 1   3  27 o 124.5820 44.33183 3.441060       3.269471  1.677629       4.591315  5.255183       4.656841  121.5856 49.97641 150.0328 52.95936 -28.44724      72.81713 
1 1 1 1   3  28 o 240.8907 32.17889 14.36702       3.555211  17.41969       5.054576  11.37813       5.001500  261.1478 42.61621 206.6143 51.61108 54.53346       66.93165 
1 1 1 1   3  29 o 148.0338 44.68621 5.693276       3.372614  12.40271       5.031648  0.2197852      4.544641  214.5727 50.66170 110.0345 47.65089 104.5382       69.55009 
1 1 1 1   3  30 o 485.7757 20.24509 56.60105       4.626204  58.23934       6.626906  55.04370       6.461125  487.0136 29.05920 473.3543 29.15891 13.65933       41.16648 
1 1 1 1   3  31 o 319.7686 29.99587 25.40792       4.459241  24.75001       5.710732  26.43579       7.138042  309.2303 40.21053 312.1398 50.32526 -2.909515      64.41675 
1 1 1 1   3  32 o 326.5302 37.35217 27.50395       5.634090  38.52557       8.455742  18.70393       7.555635  375.9134 48.98198 247.3982 64.32435 128.5153       80.85082 
1 1 1 1   3  33 o 356.9782 29.30228 32.01967       4.877133  30.61831       8.295192  32.76002       6.029344  323.1226 56.63930 354.8952 36.64350 -31.77267      67.45930 
1 1 1 1   3  34 o 338.7507 27.27993 28.88590       4.310187  32.13437       7.365308  27.19403       5.315391  336.1122 47.94274 321.2635 35.78046 14.84875       59.82264 
1 1 1 1   3  35 o 105.2126 41.83762 2.391370       3.099940  1.251189       5.468993  2.931103       3.762789  114.3122 50.78867 113.9008 45.82005 0.4114304      68.40297 
1 1 1 1   3  36 o 130.2599 53.60572 4.991083       5.290193  4.991083       5.290193  0.000000       0.000000  130.2599 53.60572 ?        ?        0.000000       53.60572 
1 1 1 1   5  0  o 352.2331 7.812620 29.18758       1.294482  29.50201       1.555063  28.47800       2.336066  354.1081 9.335615 347.8329 14.27727 6.275116       17.05855 
1 1 1 1   5  1  f 1544.639 17.18494 561.7822       12.48661  548.1570       21.22589  568.9927       15.44106  1524.155 29.60515 1554.087 21.12188 -29.93127      36.36755 
1 1 1 1   5  2  o 1125.590 16.87100 298.3024       8.932854  299.6433       12.64831  296.9679       12.61768  1127.525 23.84718 1122.475 23.89645 5.049805       33.75986 
1 1 1 1   5  3  o 503.7372 11.03688 59.70941       2.615289  0.000000       0.000000  59.70941       2.615289  ?        ?        503.7372 11.03688 0.000000       11.03688 
1 1 1 1   5  4  o 1333.766 13.49302 418.6873       8.465607  425.6905       12.20371  412.1913       11.75334  1344.404 19.29714 1322.954 18.88632 21.45007       27.00134 
1 1 1 1   5  5  o 987.2631 11.17840 229.3528       5.191370  232.7059       7.442747  226.1758       7.244672  994.2201 15.91408 980.1823 15.71240 14.03778       22.36375 
1 1 1 1   5  6  o 1748.726 19.80425 720.3029       16.29107  693.2311       19.12405  791.9144       31.10376  1715.009 23.70523 1830.498 36.12221 -115.4890      43.20592 
1 1 1 1   5  7  o 2042.864 22.89753 983.5685       22.00378  988.1095       38.57704  981.3787       26.78889  2043.260 40.13617 2039.575 27.92195 3.685059       48.89322 
1 1 1 1   5  8  o 569.5509 10.70692 76.33412       2.868576  77.74914       4.144379  75.03272       3.974510  574.6567 15.33140 564.5422 14.96642 10.11450       21.42535 
1 1 1 1   5  9  o 694.1786 11.21253 113.4118       3.661375  113.9075       5.223743  112.9332       5.133370  695.4663 15.96748 692.4973 15.75851 2.969055       22.43415 
1 1 1 1   5  10 f 737.3199 16.47984 128.0991       5.715817  0.000000       0.000000  128.0991       5.715817  ?        ?        737.3199 16.47984 0.000000       16.47984 
1 1 1 1   5  11 o 384.6735 13.94783 34.86324       2.523878  38.14489       3.709434  32.03453       3.443939  402.0347 19.61439 367.8697 19.97669 34.16504       27.99630 
1 1 1 1   5  12 o 272.9742 17.94467 17.65253       2.291393  19.99484       3.402573  15.70877       3.099611  289.6527 25.22421 256.3459 26.06731 33.30676       36.27349 
1 1 1 1   5  13 o 919.8953 15.90296 199.3966       6.881542  193.9067       8.058659  214.1796       13.22393  906.7994 18.89219 951.2360 29.55310 -44.43652      35.07564 
1 1 1 1   5  14 o 1295.406 15.43244 395.1764       9.403944  403.0196       13.59073  387.9719       13.02563  1307.346 22.09953 1282.782 21.58622 24.56372       30.89262 
1 1 1 1   5  15 o 663.6918 13.87580 103.6898       4.332055  109.1245       6.341419  98.93418       5.931959  680.5675 19.80824 648.0314 19.45955 32.53607       27.76762 
1 1 1 1   5  16 o 795.3738 19.70065 149.0329       7.370912  0.000000       0.000000  149.0329       7.370912  ?        ?        795.3738 19.70065 0.000000       19.70065 
1 1 1 1   5  17 o 269.2305 22.75126 17.20860       2.854392  17.50283       4.083781  16.92755       3.991250  270.1992 32.80251 265.6864 32.62051 4.512787       46.26124 
1 1 1 1   5  18 o 1015.086 15.13943 242.6246       7.229059  242.6565       10.27127  242.5934       10.17626  1014.569 21.52153 1014.458 21.32478 0.1109009      30.29724 
1 1 1 1   5  19 f 381.6740 22.73403 34.48328       4.063178  34.92982       5.035966  33.65042       6.877633  383.5054 28.11114 374.5621 39.63645 8.943359       48.59305 
1 1 1 1   5  20 o 1005.000 15.91650 237.9513       7.524593  248.2163       10.93245  228.7111       10.37239  1025.581 22.66095 984.4990 22.39722 41.08203       31.86148 
1 1 1 1   5  21 o 528.5790 17.44053 65.86929       4.336495  67.57172       6.208268  64.24728       6.059886  534.7353 24.68097 521.4127 24.70663 13.32257       34.92231 
1 1 1 1   5  22 o 480.4174 25.40685 54.76890       5.721266  0.000000       0.000000  54.76890       5.721266  ?        ?        480.4174 25.40685 0.000000       25.40685 
1 1 1 1   5  23 o 216.4261 35.10545 11.45488       3.451548  22.96111       5.224840  2.545617       4.597558  307.8390 36.81125 130.5572 51.25541 177.2818       63.10456 
1 1 1 1   5  24 o 677.3218 17.37473 108.4109       5.535827  112.9244       8.017472  104.2985       7.652927  689.6232 24.71476 662.8039 24.54558 26.81927       34.83252 
1 1 1 1   5  25 o 407.4686 23.97316 39.62577       4.574789  32.55369       5.495528  55.58859       8.256399  366.9824 32.15868 478.4211 36.97388 -111.4386      49.00253 
1 1 1 1   5  26 o 484.4171 20.31630 55.75242       4.629493  49.93320       6.428519  62.02170       6.672476  454.7461 30.22405 507.8988 28.03662 -53.15271      41.22554 
1 1 1 1   5  27 o 370.7409 23.46337 32.99106       4.070846  37.53373       5.793082  28.55969       5.721672  392.4117 31.65256 340.0394 36.33287 52.37234       48.18674 
1 1 1 1   5  28 o 365.7496 33.84314 33.02700       5.756688  0.000000       0.000000  33.02700       5.756688  ?        ?        365.7496 33.84314 0.000000       33.84314 
1 1 1 1   5  29 o 446.8795 20.77704 47.84481       4.367607  53.86842       6.316851  42.32753       6.045536  469.4918 28.74084 414.5597 31.23059 54.93207       42.44273 
1 1 1 1   5  30 o 218.6468 35.18975 12.16290       3.496536  11.91671       4.829987  12.43399       5.068316  209.1791 49.80222 213.0114 51.21246 -3.832260      71.43513 
1 1 1 1   5  31 o 128.9206 48.41695 3.774809       3.979470  3.189651       4.614552  5.472652       7.860348  128.3255 51.03993 159.6256 65.47576 -31.30009      83.01897 
1 1 1 1   5  32 o 582.4560 19.88061 81.79203       5.447060  69.52212       7.200196  98.21130       8.329145  529.0471 29.04327 630.6281 28.07746 -101.5809      40.39623 
1 1 1 1   5  33 o 198.3330 45.17332 10.97126       4.120270  16.09097       6.788560  7.985299       5.184390  226.3850 61.94777 164.5907 55.99043 61.79428       83.50123 
1 1 1 1   5  34 o 111.3985 43.15375 2.806654       3.225275  5.041617       5.594255  1.693905       3.947349  139.3577 55.93665 107.9643 45.50517 31.39336       72.10846 
1 1 1 1   5  35 o 89.12746 39.12911 0.2858607      3.155212  -4.628419      5.225420  3.105713       3.958261  89.15378 42.82505 115.9473 46.87121 -26.79356      63.48933 
1 1 1 1   5  36 o 120.3364 51.40513 3.510702       5.153305  3.510702       5.153305  0.000000       0.000000  120.3364 51.40513 ?        ?        0.000000       51.40513 
1 1 1 1   7  0  o 1301.172 18.23812 398.6768       11.16308  398.6768       11.16308  0.000000       0.000000  1301.172 18.23812 ?        ?        0.000000       18.23812 
1 1 1 1   7  1  o 1497.569 20.91173 528.3071       14.73147  504.7563       19.73157  557.9667       22.14325  1462.812 28.67504 1537.671 30.61319 -74.85925      41.94550 
1 1 1 1   7  2  o 752.4546 13.95706 133.2604       4.940187  126.6647       6.656178  141.3496       7.371396  733.3655 19.29457 774.6606 20.22875 -41.29510      27.95501 
1 1 1 1   7  3  o 234.8823 18.61350 13.07337       2.039749  15.94828       2.907033  10.28538       2.862759  259.0100 24.13766 206.5956 30.36320 52.41446       38.78854 
1 1 1 1   7  4  o 1325.933 15.72839 413.8822       9.810135  405.1725       17.07525  418.1736       11.98568  1310.658 27.69546 1332.500 19.12169 -21.84204      33.65527 
1 1 1 1   7  5  o 568.2307 9.013697 75.96680       2.409334  74.32420       3.381115  77.66133       3.434128  561.9651 12.79032 574.4450 12.70863 -12.47986      18.03057 
1 1 1 1   7  6  o 1045.231 11.87844 257.1092       5.840381  256.9328       8.241290  257.2871       8.277924  1044.570 16.77213 1045.286 16.83515 -0.7154541     23.76398 
1 1 1 1   7  7  o 684.6569 10.35668 110.3064       3.335516  110.5430       4.756869  110.0776       4.678374  685.2154 14.75791 683.7814 14.54482 1.434021       20.72071 
1 1 1 1   7  8  o 621.6788 10.79664 90.96120       3.157358  94.61377       4.643947  87.82150       4.305584  633.8132 15.57603 610.6699 14.98844 23.14337       21.61633 
1 1 1 1   7  9  o 470.4576 13.01707 52.12157       2.880733  59.03687       5.012606  48.71126       3.520103  500.1765 21.30448 454.6380 16.45964 45.53851       26.92212 
1 1 1 1   7  10 o 1412.289 15.32863 470.0933       10.18348  486.2604       14.94149  456.0685       13.91632  1434.761 22.13835 1389.730 21.28750 45.03064       30.71260 
1 1 1 1   7  11 o 884.9659 12.55146 184.4469       5.225047  189.9475       7.623048  179.5726       7.175873  897.4257 18.05763 872.6485 17.48099 24.77722       25.13291 
1 1 1 1   7  12 o 215.0525 24.60898 11.06321       2.444655  10.78510       3.214516  11.44471       3.764874  210.7865 33.54331 216.3709 38.39601 -5.584427      50.98438 
1 1 1 1   7  13 o 944.0130 13.41809 209.7908       5.958514  217.2372       8.680227  203.1553       8.194000  960.1660 19.21832 928.5649 18.75920 31.60107       26.85613 
1 1 1 1   7  14 o 203.7912 31.52010 10.03694       2.924111  8.959543       3.463432  12.71106       5.456444  191.0322 39.83198 226.7269 52.23575 -35.69467      65.68988 
1 1 1 1   7  15 o 191.1388 29.12612 8.817693       2.536011  8.940860       3.664714  8.704511       3.513014  190.6211 42.00260 188.1564 40.86143 2.464737       58.59927 
1 1 1 1   7  16 o 494.8402 15.40648 57.64997       3.586227  58.42598       5.149857  56.91935       4.996981  497.9042 21.98771 491.4592 21.61478 6.445007       30.83275 
1 1 1 1   7  17 o 1255.715 18.67919 371.4690       11.03363  359.3936       19.20971  377.4141       13.47882  1233.006 33.11970 1265.244 22.64687 -32.23779      40.12226 
1 1 1 1   7  18 o 814.7852 16.96024 156.3788       6.500465  152.8853       8.048932  162.9310       11.02324  805.2888 21.24796 830.5792 28.21362 -25.29041      35.31975 
1 1 1 1   7  19 o 560.3613 16.18909 73.97043       4.267367  71.10202       6.048381  76.81354       6.021645  548.9178 23.42407 570.6165 22.43373 -21.69861      32.43393 
1 1 1 1   7  20 o 1373.252 20.31975 444.8391       13.12616  463.3072       16.49019  412.9013       21.68540  1400.415 25.03223 1319.291 34.94278 81.12402       42.98384 
1 1 1 1   7  21 o 438.3675 18.79834 45.33386       3.876388  47.70313       5.689538  43.28124       5.295706  448.1451 27.11681 426.8885 26.50276 21.25662       37.91725 
1 1 1 1   7  22 o 162.3150 40.94557 6.549334       3.126056  4.789106       4.598162  8.062089       4.262694  149.2443 52.63070 179.9049 49.03019 -30.66063      71.93018 
1 1 1 1   7  23 o 211.3397 41.36563 11.09891       3.965128  10.44887       7.798833  11.32551       4.604693  207.2988 68.65452 212.2660 47.32304 -4.967163      83.38413 
1 1 1 1   7  24 o 671.4239 19.29482 106.7129       6.094063  100.8162       7.563122  117.6278       10.28982  651.2856 24.68655 701.3206 31.19047 -50.03497      39.77777 
1 1 1 1   7  25 o 399.6394 21.81351 38.05775       4.085243  40.57863       5.889339  35.71981       5.671621  410.1348 30.74987 384.3705 31.64939 25.76437       44.12753 
1 1 1 1   7  26 o 387.5009 26.68788 36.14256       4.835039  35.15602       5.841960  38.28775       8.614619  379.8648 33.02195 389.3650 48.05329 -9.500183      58.30582 
1 1 1 1   7  27 o 567.2142 19.40336 76.59071       5.177182  78.50426       7.731057  75.03488       6.971063  569.4048 28.95893 558.5160 26.53347 10.88885       39.27651 
1 1 1 1   7  28 o 399.8335 22.27373 38.43026       4.172666  46.63071       6.179834  31.55900       5.656866  436.6914 30.27062 356.9968 34.10019 79.69461       45.59752 
1 1 1 1   7  29 o 126.3740 47.83460 3.365390       3.901673  18.59394       7.205202  -2.952763      4.641005  256.8907 60.60514 95.01186 43.96402 161.8788       74.87202 
1 1 1 1   7  30 o 389.2228 25.75330 36.94407       4.688556  31.71593       5.660868  48.36505       8.366837  355.6781 34.25793 433.8823 41.50020 -78.20419      53.81331 
1 1 1 1   7  31 f 92.30251 40.40311 -0.1596988     3.342059  2.867953       4.614365  -3.500301      4.846982  125.7892 50.69204 94.01990 43.98209 31.76931       67.11264 
1 1 1 1   7  32 o 233.6190 35.27508 14.10679       3.755808  11.31476       5.072866  17.49388       5.587360  197.9444 53.29594 250.9147 49.09629 -52.97037      72.46312 
1 1 1 1   7  33 o 192.5096 42.48178 10.21439       3.743924  7.134365       6.176191  12.00368       4.707428  157.6382 60.05938 203.9791 49.55073 -46.34091      77.86144 
1 1 1 1   7  34 o 71.11795 33.84841 -3.095434      3.106566  -7.348395      5.452610  -1.051418      3.780079  85.05814 41.52679 89.52335 40.77121 -4.465202      58.19592 
1 1 1 1   7  35 o 99.37508 42.79065 1.188560       3.623072  -3.133175      4.896419  6.417955       5.386111  90.56608 42.92582 143.1870 55.68330 -52.62089      70.30830 
1 1 1 1   7  36 o 132.3994 47.63440 5.539345       3.784608  4.788942       5.576416  6.180143       5.153101  127.8395 53.99507 136.3166 54.02509 -8.477081      76.38179 
1 1 1 1   9  0  o 747.1352 9.154352 131.3355       3.217334  144.4484       4.874156  121.2107       4.282954  783.4041 13.22648 717.6492 12.68709 65.75494       18.32763 
1 1 1 1   9  1  o 683.6339 8.700689 109.9558       2.797992  120.5317       4.197768  101.5007       3.753344  715.6420 12.46962 656.7294 12.14962 58.91254       17.40990 
1 1 1 1   9  2  o 771.7037 13.02981 140.1658       4.729965  0.000000       0.000000  140.1658       4.729965  ?        ?        771.7037 13.02981 0.000000       13.02981 
1 1 1 1   9  3  o 427.7951 15.16885 43.08634       3.052513  44.70868       4.300345  41.43877       4.333659  435.5782 20.98785 418.7257 22.07973 16.85248       30.46317 
1 1 1 1   9  4  o 527.2490 15.17588 65.45316       3.763908  64.77409       5.250182  66.17123       5.398871  524.2385 21.29002 529.8427 21.66141 -5.604248      30.37238 
1 1 1 1   9  5  o 911.0501 15.14250 195.4527       6.489470  179.3995       9.529692  209.3341       8.861671  872.1319 23.22883 942.4305 19.98927 -70.29858      30.64555 
1 1 1 1   9  6  o 1416.473 16.61136 472.7162       11.06835  473.5435       18.69792  472.2700       13.73295  1415.461 28.08187 1415.147 20.62970 0.3140869      34.84502 
1 1 1 1   9  7  o 617.3212 11.28044 89.71720       3.275718  90.26588       4.280509  88.94174       5.088755  619.0002 14.70061 614.2271 17.61218 4.773071       22.94116 
1 1 1 1   9  8  o 1145.870 15.55438 309.4518       8.384115  319.7984       10.39484  290.1903       14.18283  1164.290 18.97962 1107.315 27.22841 56.97522       33.19054 
1 1 1 1   9  9  o 433.7678 11.84893 44.30560       2.417718  44.77108       3.507081  43.88404       3.337554  435.7658 17.10895 431.4672 16.44414 4.298645       23.73028 
1 1 1 1   9  10 o 697.0103 11.70761 114.3763       3.838635  120.3512       5.707537  109.4416       5.187018  714.6046 16.97906 681.5098 16.17992 33.09473       23.45375 
1 1 1 1   9  11 o 845.3152 14.91550 168.2678       5.930972  185.0773       11.58269  162.2940       6.904888  885.2103 27.81592 829.9713 17.68578 55.23895       32.96229 
1 1 1 1   9  12 o 1079.759 13.81271 274.4439       7.015763  294.1156       10.57117  258.9589       9.379038  1117.268 20.11391 1048.465 19.01669 68.80225       27.68039 
1 1 1 1   9  13 o 176.1882 27.04307 7.490732       2.169707  8.472416       3.196946  6.652433       2.954261  185.9489 37.83606 164.4256 38.81787 21.52325       54.20696 
1 1 1 1   9  14 o 781.0156 13.33322 143.5668       4.898510  145.0290       7.087707  142.2296       6.777761  784.6965 19.20148 777.1233 18.54074 7.573181       26.69187 
1 1 1 1   9  15 o 776.2908 13.78148 141.8474       5.032568  141.9192       7.223636  141.7796       7.015192  776.1716 19.78467 775.8242 19.22237 0.3474731      27.58501 
1 1 1 1   9  16 o 741.7296 14.15833 129.5147       4.940000  124.1404       6.954357  134.9887       7.018514  725.8299 20.36821 756.9245 19.71167 -31.09460      28.34455 
1 1 1 1   9  17 o 557.5894 14.96856 73.20746       3.926121  70.35330       5.571469  76.02283       5.533473  546.2757 21.68146 567.9187 20.71296 -21.64301      29.98521 
1 1 1 1   9  18 o 882.5967 14.90101 183.4485       6.186534  182.5856       8.819026  184.2846       8.680775  879.9366 21.30590 884.0672 20.87391 -4.130554      29.82720 
1 1 1 1   9  19 o 459.1970 17.17487 49.69230       3.709896  48.33023       5.315780  50.98570       5.180024  451.6656 25.11889 464.1130 23.80689 -12.44742      34.60819 
1 1 1 1   9  20 o 825.0386 15.48288 160.4036       6.008905  165.7531       8.856491  155.8405       8.179569  837.8030 22.47245 812.5162 21.40075 25.28680       31.03230 
1 1 1 1   9  21 o 601.9144 19.14776 85.51945       5.421532  84.92867       9.021912  85.85339       6.782832  597.0312 32.24375 602.4828 23.93300 -5.451660      40.15530 
1 1 1 1   9  22 o 111.9056 41.94859 2.280680       2.984496  1.553388       4.465483  2.867823       4.012234  121.9177 49.60339 127.5675 48.45429 -5.649757      69.34201 
1 1 1 1   9  23 o 224.9184 32.12603 12.32135       3.302423  13.50173       4.835265  11.28933       4.521200  232.0581 45.92073 211.6271 46.67072 20.43100       65.47420 
1 1 1 1   9  24 f 130.0471 43.74066 3.910232       3.163678  6.302622       4.664508  1.872140       4.305284  161.5439 53.07598 121.5168 48.96678 40.02712       72.21361 
1 1 1 1   9  25 o 517.2933 18.39043 63.44474       4.475052  58.17827       6.380160  68.54459       6.278427  492.1463 27.67158 535.9001 24.90564 -43.75385      37.22912 
1 1 1 1   9  26 o 213.8354 34.12938 11.36280       3.317600  9.168297       4.863384  13.27278       4.537173  187.0663 52.90440 227.9602 43.90412 -40.89397      68.74916 
1 1 1 1   9  27 o 178.0214 41.64672 8.188672       3.425541  9.389851       5.007969  7.132502       4.695963  187.6602 53.89207 166.0666 53.15534 21.59364       75.69575 
1 1 1 1   9  28 o 206.7566 36.54780 10.85734       3.424574  9.963802       4.817949  11.76977       4.868606  192.1432 52.02611 209.6348 50.06089 -17.49165      72.19978 
1 1 1 1   9  29 o 300.4917 29.28056 22.24106       4.086280  18.77200       5.159336  28.07967       6.693337  269.5139 42.06954 329.0551 44.37345 -59.54114      61.14613 
1 1 1 1   9  30 o 270.9758 29.67371 18.22435       3.720603  16.07734       5.141156  20.58529       5.391201  245.5696 46.20146 281.2514 42.03936 -35.68179      62.46505 
1 1 1 1   9  31 o 323.5570 25.88950 25.72817       3.907428  23.55807       5.500567  27.93878       5.551663  300.9907 39.82767 330.6662 36.28789 -29.67545      53.88000 
1 1 1 1   9  32 o 104.8123 44.74190 0.9471171      3.898938  4.224138       6.572995  -0.8318758     4.842959  143.2736 59.42959 104.2453 46.94139 39.02826       75.73222 
1 1 1 1   9  33 o 100.2906 41.61592 1.423610       3.224853  6.617123       5.560435  -1.208656      3.958613  152.0647 57.20791 91.69756 41.74651 60.36711       70.82031 
1 1 1 1   9  34 o 100.1076 47.31780 -3.326397      5.872518  -3.326397      5.872518  0.000000       0.000000  100.1076 47.31780 ?        ?        0.000000       47.31780 
1 1 1 1   9  35 o 99.17988 45.80193 -0.9601666     5.000503  0.000000       0.000000  -0.9601666     5.000503  ?        ?        99.17988 45.80193 0.000000       45.80193 
1 1 1 1   11 0  o 1388.650 13.92231 454.1397       9.094389  479.0613       13.57729  433.8590       12.24800  1425.210 20.25185 1356.496 19.19453 68.71484       27.90282 
1 1 1 1   11 1  o 731.8360 10.50560 126.0648       3.616628  123.6920       5.781587  127.5902       4.635573  724.4775 16.96496 736.0773 13.38785 -11.59979      21.61121 
1 1 1 1   11 2  o 472.1303 9.701387 52.46321       2.154592  53.40551       2.448267  49.22712       4.537078  476.3084 10.92701 456.7641 21.11616 19.54428       23.77587 
1 1 1 1   11 3  o 1157.075 18.46179 315.6968       10.04858  311.8312       13.95670  319.8573       14.47938  1148.568 25.83191 1163.112 26.46422 -14.54407      36.98165 
1 1 1 1   11 4  o 1732.580 35.01974 712.8419       28.54143  712.8419       28.54143  0.000000       0.000000  1732.580 35.01974 ?        ?        0.000000       35.01974 
1 1 1 1   11 5  o 559.9257 16.70810 73.90473       4.400749  79.19144       6.322321  68.93580       6.129363  579.0048 23.21267 540.1204 24.12434 38.88446       33.47853 
1 1 1 1   11 6  o 381.4264 8.988643 34.23994       1.612776  34.32517       2.369400  34.16637       2.201468  381.7628 13.19397 380.9128 12.28620 0.8500061      18.02863 
1 1 1 1   11 7  o 961.9647 11.58746 217.8549       5.243446  221.4886       7.547311  214.4647       7.290082  969.4789 16.54949 954.0164 16.24454 15.46252       23.18988 
1 1 1 1   11 8  o 789.4750 11.10893 146.7014       4.125533  150.3564       6.049893  143.5245       5.640378  798.9277 16.09796 780.6194 15.36029 18.30829       22.25046 
1 1 1 1   11 9  o 898.6929 14.21898 190.1436       6.011030  189.5453       7.107158  191.6469       11.26620  897.1035 16.84163 901.1537 26.57719 -4.050232      31.46407 
1 1 1 1   11 10 o 928.2354 12.32812 202.7791       5.382998  211.1486       7.930866  195.6297       7.330004  946.8811 17.80557 911.4660 17.09600 35.41510       24.68423 
1 1 1 1   11 11 o 850.9461 12.40128 170.4081       4.964071  178.1336       7.276471  163.6823       6.789331  869.7605 17.78492 833.7596 17.31079 36.00092       24.81867 
1 1 1 1   11 12 o 612.8760 14.98990 88.41697       4.321562  106.7479       9.249966  83.29861       4.887799  672.6563 29.23329 594.7861 17.46961 77.87018       34.05543 
1 1 1 1   11 13 o 713.8311 14.28933 119.9384       4.798181  122.5030       7.952423  118.4703       6.016766  720.9620 23.44865 709.2903 18.03308 11.67169       29.58092 
1 1 1 1   11 14 o 1657.492 24.35050 647.6998       18.98578  667.6576       27.77774  630.2022       26.00931  1680.678 35.13524 1633.143 33.85598 47.53552       48.79255 
1 1 1 1   11 15 o 1024.746 17.17946 247.3081       8.281236  252.7352       10.10917  236.2366       14.43893  1035.619 20.75133 1000.118 30.69124 35.50098       37.04821 
1 1 1 1   11 16 o 286.8129 20.93721 19.49272       2.805279  25.19073       4.215659  14.96432       3.758164  325.4702 27.80170 249.4604 32.82306 76.00983       43.01497 
1 1 1 1   11 17 o 618.3062 16.71713 90.05898       4.862222  85.60815       6.155505  97.44353       7.928766  602.5095 21.71853 642.4209 26.23715 -39.91138      34.05999 
1 1 1 1   11 18 o 433.8366 20.44448 44.38853       4.172261  35.87991       8.060139  47.50295       4.876429  385.4702 45.31599 448.0276 23.21774 -62.55737      50.91761 
1 1 1 1   11 19 o 727.5587 15.22322 124.7249       5.210073  126.2700       7.509586  123.2908       7.234426  731.3610 21.82805 722.7477 21.27885 8.613342       30.48365 
1 1 1 1   11 20 o 667.7592 17.60363 105.1847       5.529569  111.8014       9.513929  101.8094       6.795125  686.6347 29.45540 656.4170 22.00637 30.21771       36.76820 
1 1 1 1   11 21 o 767.4852 15.88925 138.9565       5.736443  143.6713       8.341909  134.7267       7.901134  779.1740 22.75945 754.6300 22.25799 24.54401       31.83411 
1 1 1 1   11 22 o 356.5233 21.18695 30.19853       3.537270  27.72486       5.010430  32.65651       4.994518  339.3960 31.75231 369.2376 28.98832 -29.84164      42.99456 
1 1 1 1   11 23 o 748.1110 18.47074 132.4501       6.500093  129.2841       8.276996  137.5446       10.49944  737.6010 23.85513 758.7844 29.41565 -21.18335      37.87279 
1 1 1 1   11 24 o 219.9131 37.06087 12.00990       3.697545  11.34364       7.086965  12.25909       4.334219  208.8648 65.10378 220.3185 43.36463 -11.45375      78.22399 
1 1 1 1   11 25 o 543.8654 24.66704 70.70274       6.310703  0.000000       0.000000  70.70274       6.310703  ?        ?        543.8654 24.66704 0.000000       24.66704 
1 1 1 1   11 26 o 326.0799 27.64514 25.78753       4.200522  27.14031       7.600270  25.19259       5.040264  323.1497 51.74433 319.8174 34.02541 3.332275       61.92903 
1 1 1 1   11 27 o 180.8131 39.86778 8.422366       3.299742  9.142477       4.931264  7.838500       4.440329  184.7719 53.59864 172.2275 51.11348 12.54437       74.06350 
1 1 1 1   11 28 o 132.0045 44.99652 4.250803       3.348395  3.189446       4.835986  5.228187       4.640737  132.1929 52.35359 147.1781 52.76922 -14.98517      74.33363 
1 1 1 1   11 29 o 151.1177 55.57978 5.546633       5.192318  9.809752       7.079402  0.5835316      7.638525  187.5529 65.36105 137.7822 60.67612 49.77077       89.18329 
1 1 1 1   11 30 o 90.51026 40.89312 -1.306246      3.711292  4.509513       7.684995  -3.075124      4.238277  154.5093 64.18925 88.77486 41.39529 65.73442       76.37952 
1 1 1 1   11 31 o 105.9557 43.88392 1.462472       3.576248  -3.802022      5.965315  4.416156       4.468246  103.9770 48.68858 135.8542 51.24617 -31.87720      70.68768 
1 1 1 1   11 32 o 135.3491 45.76518 4.914421       3.463496  8.769323       6.119891  3.097939       4.200998  170.8028 60.66601 122.1392 48.66141 48.66360       77.77081 
1 1 1 1   11 33 o 358.3853 31.29054 32.96801       5.222220  32.31273       7.101594  33.73960       7.706051  339.7542 45.58431 342.9841 49.16925 -3.229919      67.04882 
1 1 1 1   11 34 o 80.99817 37.69921 -1.905513      3.489399  -3.567182      4.991632  -0.3174792     4.879779  90.66935 43.08154 102.6194 46.57616 -11.95006      63.44571 
1 1 1 1   11 35 o 79.53546 37.37392 -2.129959      3.567639  -2.497028      5.234549  -1.811534      4.875384  94.35064 44.62016 93.86088 43.97221 0.4897614      62.64595 
1 1 1 1   13 0  o 621.7271 9.193231 90.96291       2.688669  94.78355       3.864105  87.37711       3.743467  634.4879 12.94662 609.1885 13.06330 25.29944       18.39198 
1 1 1 1   13 1  o 564.2488 8.986254 74.91917       2.385166  74.55880       3.274225  75.32662       3.481586  562.7672 12.36831 565.6263 13.08513 -2.859131      18.00544 
1 1 1 1   13 2  o 233.5869 9.836702 12.84058       1.080855  14.41804       1.422519  10.68596       1.662504  247.4811 12.21932 212.3143 16.78298 35.16678       20.76006 
1 1 1 1   13 3  o 651.7538 15.75649 100.0469       4.830725  98.27586       6.677339  101.9917       6.997238  645.5392 21.98930 657.5787 22.62089 -12.03943      31.54733 
1 1 1 1   13 4  o 375.6785 19.26166 33.34369       3.392474  36.35553       4.842137  30.43995       4.754431  391.5866 26.44184 357.9047 28.47530 33.68195       38.85889 
1 1 1 1   13 5  o 371.1739 20.59552 32.56514       3.581882  32.58027       5.111633  32.55054       5.020684  370.2846 29.59365 370.1818 29.06593 0.1028137      41.48026 
1 1 1 1   13 6  o 950.4805 18.35556 212.7726       8.206917  224.7028       12.09285  202.5862       11.17417  976.0625 26.33794 926.8524 25.62923 49.21014       36.74976 
1 1 1 1   13 7  o 1328.578 15.74117 415.5374       9.837696  417.0630       16.47077  414.6913       12.26598  1329.925 26.32797 1326.887 19.65164 3.038086       32.85345 
1 1 1 1   13 8  o 890.0353 11.27738 186.3996       4.721552  189.0733       6.886620  184.0279       6.485944  896.1793 16.33586 884.1774 15.59425 12.00183       22.58408 
1 1 1 1   13 9  o 632.6832 10.69146 94.18414       3.181944  91.81754       4.537155  96.47468       4.463644  624.5543 15.44344 640.2178 14.82151 -15.66345      21.40507 
1 1 1 1   13 10 o 1136.309 15.06809 303.9230       8.054230  326.0124       10.84228  276.7242       12.03105  1176.569 19.58998 1083.671 23.60135 92.89771       30.67232 
1 1 1 1   13 11 o 518.4537 12.13147 63.25332       2.958645  68.40848       4.355330  58.83583       4.031698  539.0274 17.17675 499.8936 17.14514 39.13379       24.26925 
1 1 1 1   13 12 o 521.4271 12.68762 63.98672       3.112025  67.95032       4.631349  60.72388       4.202042  537.1571 18.32892 507.8168 17.59074 29.34033       25.40440 
1 1 1 1   13 13 o 586.9101 14.10262 81.08423       3.893505  69.64923       5.968168  89.55688       5.137274  543.5683 23.34090 616.6672 17.70976 -73.09888      29.29903 
1 1 1 1   13 14 o 1108.591 14.35553 289.3246       7.486171  291.5887       10.74053  287.1855       10.43996  1112.380 20.52595 1103.992 20.10312 8.388184       28.73064 
1 1 1 1   13 15 o 502.9106 20.97508 59.61866       4.962079  59.61866       4.962079  0.000000       0.000000  502.9106 20.97508 ?        ?        0.000000       20.97508 
1 1 1 1   13 16 f 788.0231 19.80760 146.3828       7.342433  146.3828       7.342433  0.000000       0.000000  788.0231 19.80760 ?        ?        0.000000       19.80760 
1 1 1 1   13 17 o 436.6747 16.47756 44.92982       3.384701  50.33342       5.046333  40.51099       4.563397  461.1878 23.33696 413.5952 23.55290 47.59265       33.15649 
1 1 1 1   13 18 o 422.6147 17.37133 42.10759       3.453402  39.09645       4.935410  44.99610       4.833867  405.8099 25.99080 435.7923 23.66888 -29.98233      35.15306 
1 1 1 1   13 19 o 218.7026 34.56775 11.64751       3.438077  4.497622       7.214164  13.74861       3.910751  165.9886 64.47333 237.6950 36.11225 -71.70642      73.89793 
1 1 1 1   13 20 o 329.8800 21.15481 25.83483       3.265420  21.69325       4.772379  29.48074       4.477696  299.7000 34.47995 351.4535 27.29848 -51.75357      43.97811 
1 1 1 1   13 21 o 156.8342 45.23127 6.097313       3.520940  7.437574       5.360383  5.080262       4.669523  175.4789 56.85708 151.4750 53.06653 24.00391       77.77393 
1 1 1 1   13 22 o 286.9809 36.60132 20.12295       4.828544  20.12295       4.828544  0.000000       0.000000  286.9809 36.60132 ?        ?        0.000000       36.60132 
1 1 1 1   13 23 f 481.4392 18.48423 54.91116       4.186125  54.74720       5.978636  55.06884       5.863203  478.1470 26.68748 479.7450 26.07893 -1.597992      37.31396 
1 1 1 1   13 24 o 139.6293 46.48319 4.664274       3.573370  11.41796       7.254346  2.500576       4.106070  208.1877 66.00671 123.5038 48.45366 84.68383       81.88189 
1 1 1 1   13 25 o 262.8738 37.28415 17.22014       4.481226  0.000000       0.000000  17.22014       4.481226  ?        ?        262.8738 37.28415 0.000000       37.28415 
1 1 1 1   13 26 o 371.2650 21.88659 33.06599       3.805452  40.54564       5.890274  27.70747       4.985597  407.4224 30.96591 335.9902 31.92804 71.43216       44.47794 
1 1 1 1   13 27 o 106.7814 41.70607 1.957829       3.031552  1.631103       4.498851  2.229584       4.102970  118.9159 49.23330 119.5100 47.92749 -0.5940628     68.70926 
1 1 1 1   13 28 o 284.1770 34.48813 20.20691       4.515821  18.85672       5.182568  24.46492       9.203470  270.5645 42.08772 290.0655 68.53836 -19.50101      80.42937 
1 1 1 1   13 29 o 204.7608 35.42090 10.70575       3.288258  9.396151       4.721762  11.93897       4.581985  184.7833 52.08286 210.6221 47.39244 -25.83875      70.41780 
1 1 1 1   13 30 o 67.57139 32.55212 -4.214219      3.072987  -7.890687      4.320348  -0.4496132     4.371828  73.35716 36.05077 102.7072 45.53149 -29.35000      58.07560 
1 1 1 1   13 31 o 110.6299 42.95495 2.486355       3.201315  2.060940       5.399239  2.716992       3.975496  124.6340 52.91241 118.5384 47.30256 6.095657       70.97363 
1 1 1 1   13 32 o 211.8346 35.76292 11.83571       3.436794  6.991677       5.659786  14.66513       4.325591  155.6375 57.87995 232.5430 41.04380 -76.90546      70.95550 
1 1 1 1   13 33 o 157.9424 46.22719 7.307908       3.653551  6.111772       5.247335  8.433414       5.090057  144.9017 55.32273 163.7893 55.47986 -18.88759      78.34934 
1 1 1 1   13 34 o 109.2765 45.23544 2.430983       3.797039  -1.051724      5.202702  6.400119       5.554161  101.0145 46.67358 142.8491 56.25451 -41.83463      73.09578 
1 1 1 1   15 0  o 347.3123 14.96449 28.39164       2.444845  0.000000       0.000000  28.39164       2.444845  ?        ?        347.3123 14.96449 0.000000       14.96449 
1 1 1 1   15 1  o 506.7892 9.273905 60.42450       2.210850  61.71432       3.056142  59.00846       3.202198  512.1086 12.68651 500.7370 13.59469 11.37158       18.59471 
1 1 1 1   15 2  o 1029.867 11.47623 249.5637       5.559679  263.2016       8.175473  237.8307       7.583053  1057.402 16.43627 1005.168 16.03748 52.23407       22.96414 
1 1 1 1   15 3  o 534.3625 11.27818 67.18666       2.834944  67.18666       2.834944  0.000000       0.000000  534.3625 11.27818 ?        ?        0.000000       11.27818 
1 1 1 1   15 4  o 1011.504 18.24985 240.8906       8.683528  243.5791       12.31045  238.2283       12.25050  1016.617 25.74229 1005.376 25.90336 11.24097       36.51917 
1 1 1 1   15 5  o 427.4081 20.03329 43.01912       4.027766  38.37693       5.412279  48.78122       6.029882  402.4040 28.78228 453.9704 28.37899 -51.56641      40.42013 
1 1 1 1   15 6  o 1260.735 29.55121 374.8514       17.52542  0.000000       0.000000  374.8514       17.52542  ?        ?        1260.735 29.55121 0.000000       29.55121 
1 1 1 1   15 7  o 973.5986 19.29996 223.2081       8.839048  245.7194       13.33343  205.5589       11.80607  1020.873 27.76520 933.7990 26.87711 87.07428       38.64305 
1 1 1 1   15 8  o 668.0599 11.73241 105.0188       3.686990  132.8775       9.725893  100.3433       3.984386  750.6961 27.54203 652.9867 12.97143 97.70941       30.44374 
1 1 1 1   15 9  o 770.3138 11.65275 139.6304       4.222459  149.7900       5.987356  129.5779       5.955687  797.6816 15.95645 741.8669 17.06619 55.81470       23.36371 
1 1 1 1   15 10 o 308.6369 12.73032 22.41794       1.848232  23.43283       2.866500  21.69581       2.417958  314.8206 19.45146 303.0757 17.02910 11.74496       25.85246 
1 1 1 1   15 11 o 580.1498 11.58841 79.20490       3.162519  84.25026       4.792932  75.31447       4.208752  598.1567 17.03401 565.5917 15.81907 32.56494       23.24652 
1 1 1 1   15 12 o 314.8316 15.19414 23.33624       2.250213  22.47468       3.352921  24.04230       3.035297  307.8800 23.32435 318.7874 20.34709 -10.90747      30.95205 
1 1 1 1   15 13 f 1177.416 14.38462 326.3836       7.967052  337.3960       11.67913  316.7989       10.89583  1196.476 20.75093 1159.467 19.97712 37.00867       28.80427 
1 1 1 1   15 14 o 535.5535 13.50403 67.52565       3.402010  70.92116       4.982627  64.56039       4.656272  548.5742 19.30873 523.4173 18.91128 25.15686       27.02709 
1 1 1 1   15 15 o 994.2101 14.21345 232.7711       6.647328  240.2698       9.632456  225.9529       9.184984  1009.455 20.28527 978.9587 19.94549 30.49634       28.44846 
1 1 1 1   15 16 f 982.2330 14.39453 227.2516       6.650915  217.1907       9.103864  238.7675       9.739951  959.5656 20.16888 1006.041 20.58125 -46.47571      28.81617 
1 1 1 1   15 17 o 514.2180 15.88479 62.32484       3.842359  72.33997       5.787793  54.43256       5.137905  553.4292 22.23216 480.0199 22.75399 73.40927       31.81215 
1 1 1 1   15 18 o 697.2751 25.06392 115.0904       8.220958  107.6694       11.38114  123.1867       11.88778  671.1597 36.18246 719.1631 35.14019 -48.00336      50.43811 
1 1 1 1   15 19 o 255.0672 25.05465 15.56563       2.967363  11.87392       4.367963  18.72963       4.043738  218.3802 44.04027 278.8033 31.37836 -60.42310      54.07539 
1 1 1 1   15 20 o 533.2621 16.43024 67.15216       4.121488  65.77691       5.958528  68.41373       5.706937  526.5713 24.05540 537.2944 22.57987 -10.72314      32.99261 
1 1 1 1   15 21 o 225.7708 28.66189 12.34853       2.975400  14.41969       4.440158  10.66044       4.008565  241.0988 40.59231 206.0359 42.76003 35.06293       58.95893 
1 1 1 1   15 22 o 507.2071 17.58790 60.90091       4.196321  54.37803       5.883909  67.65304       5.986407  476.6709 26.34308 533.1378 23.87028 -56.46689      35.54923 
1 1 1 1   15 23 o 225.4018 38.92663 12.71064       3.978150  12.05656       4.683287  14.40547       7.538763  216.6992 47.27359 231.5184 66.00468 -14.81918      81.18751 
1 1 1 1   15 24 o 342.8995 22.09345 28.15617       3.544720  23.01271       5.080117  33.03648       4.948459  305.2323 36.07911 369.3713 28.70531 -64.13895      46.10528 
1 1 1 1   15 25 o 179.8973 37.88340 8.237270       3.104533  13.12043       4.580077  4.086586       4.222621  225.5430 44.74887 136.6020 50.13985 88.94101       67.20467 
1 1 1 1   15 26 o 113.3121 42.34414 2.599164       3.036432  0.3272632      4.270962  4.921113       4.317747  108.4244 46.56951 143.9964 50.97691 -35.57208      69.04610 
1 1 1 1   15 27 o 164.2128 44.53964 7.082069       3.527561  6.365575       4.561550  8.148039       5.563892  157.4005 52.52429 175.0732 57.98907 -17.67264      78.24023 
1 1 1 1   15 28 o 102.6998 42.92707 0.9744148      3.467020  9.952438       6.226891  -3.059305      4.173820  188.7467 61.29069 88.62164 41.24194 100.1251       73.87453 
1 1 1 1   15 29 o 113.5790 45.26576 2.230825       3.636248  -2.592880      4.587858  10.38050       5.963342  95.13317 43.91149 190.2889 59.78674 -95.15575      74.18001 
1 1 1 1   15 30 o 95.65430 40.42536 0.7451866      3.128766  0.5502378      5.151834  0.8591051      3.938209  115.1123 50.28131 105.3982 44.97871 9.714104       67.46329 
1 1 1 1   15 31 o 100.9928 41.51529 1.484062       3.168590  -8.231273      5.156178  7.379163       4.016471  81.29851 39.83733 161.1440 48.79282 -79.84544      62.99009 
1 1 1 1   15 32 o 114.1837 45.29533 2.793819       3.625407  8.721761       5.354072  -2.225625      4.926744  167.5655 56.89982 96.85167 44.98380 70.71384       72.53366 
1 1 1 1   15 33 o 241.5436 35.96205 15.76255       3.961486  12.12842       5.608187  19.38169       5.596607  191.1208 57.60827 255.9056 48.26154 -64.78479      75.15244 
1 1 1 1   17 0  o 1926.402 18.62977 873.7732       16.88199  935.7726       25.69248  826.6662       22.39520  1992.332 27.41417 1872.890 25.41988 119.4424       37.38591 
1 1 1 1   17 1  o 2042.071 19.56155 981.9639       18.79071  1015.806       27.54049  952.4875       25.70276  2075.635 28.20664 2010.080 27.18298 65.55505       39.17307 
1 1 1 1   17 2  o 2168.108 23.68871 1107.548       24.15970  1148.409       30.93913  1043.698       38.67513  2206.613 29.80662 2101.507 39.12295 105.1055       49.18373 
1 1 1 1   17 3  o 901.5278 12.67604 191.2578       5.375663  194.5778       6.361517  182.9667       10.05321  909.2313 14.87363 881.1724 24.25349 28.05884       28.45096 
1 1 1 1   17 4  o 435.4635 20.09101 44.65936       4.115501  47.29489       5.675149  41.73603       5.976969  447.0722 27.11362 419.5132 30.49630 27.55893       40.80653 
1 1 1 1   17 5  o 739.3263 18.35658 128.7068       6.384063  130.2913       8.892348  127.0214       9.170953  743.4785 25.42604 734.0174 26.56066 9.461121       36.76890 
1 1 1 1   17 6  o 1323.140 21.98774 412.4584       13.68534  415.5767       19.34477  409.3342       19.36323  1327.034 30.98934 1316.991 31.25544 10.04248       44.01411 
1 1 1 1   17 7  o 1145.789 20.89987 309.2704       11.26464  325.5053       16.47163  295.0060       15.43963  1174.514 29.81324 1118.191 29.35295 56.32288       41.83808 
1 1 1 1   17 8  o 555.2404 20.76466 72.63079       5.423444  76.33770       7.615923  68.81689       7.725058  568.1005 28.59034 539.0852 30.58918 29.01532       41.87010 
1 1 1 1   17 9  o 1150.382 15.60071 311.5705       8.442203  306.4804       16.04925  313.5177       9.926478  1139.424 29.94332 1153.756 18.28992 -14.33179      35.08737 
1 1 1 1   17 10 f 1611.872 16.62262 611.8294       12.60374  638.2356       18.72388  589.9510       17.04320  1645.168 24.19449 1581.925 22.90318 63.24268       33.31561 
1 1 1 1   17 11 o 1179.492 13.63931 327.5057       7.567576  341.3392       11.33334  316.3754       10.16592  1203.521 20.01865 1158.824 18.64919 44.69727       27.35943 
1 1 1 1   17 12 o 1029.363 18.39858 249.6665       8.908862  0.000000       0.000000  249.6665       8.908862  ?        ?        1029.363 18.39858 0.000000       18.39858 
1 1 1 1   17 13 o 656.5013 17.58413 101.5588       5.430324  101.5588       5.430324  0.000000       0.000000  656.5013 17.58413 ?        ?        0.000000       17.58413 
1 1 1 1   17 14 o 726.7253 12.92105 124.3601       4.417102  134.5436       6.642235  116.2862       5.914379  755.4185 18.69207 702.3660 17.90096 53.05249       25.88122 
1 1 1 1   17 15 o 547.1401 13.55495 70.51515       3.488718  63.38100       4.834114  78.26964       5.039903  518.2858 19.82797 576.0621 18.59874 -57.77631      27.18569 
1 1 1 1   17 16 o 140.7761 35.88327 4.898565       2.383302  7.561759       3.528123  2.663289       3.232273  174.3653 43.22921 118.5610 43.80978 55.80426       61.54723 
1 1 1 1   17 17 o 714.8196 14.23251 120.4555       4.785720  119.4982       6.817702  121.3854       6.719428  711.1198 20.38103 716.7866 19.92843 -5.666870      28.50489 
1 1 1 1   17 18 o 155.8525 38.32734 6.051710       2.790357  6.200952       4.392780  5.950757       3.612880  160.7822 51.40520 155.5815 46.09028 5.200790       69.04208 
1 1 1 1   17 19 o 200.6048 30.69427 9.814867       2.804343  8.027807       4.044580  11.46940       3.891716  178.4732 47.38316 214.9408 39.96133 -36.46756      61.98445 
1 1 1 1   17 20 o 147.5893 38.79837 5.453918       2.729174  5.972021       4.024864  5.012943       3.713214  156.2091 49.12365 145.0114 47.34150 11.19771       68.22280 
1 1 1 1   17 21 o 354.4785 20.52029 29.91726       3.407071  29.32214       4.835785  30.50385       4.801055  348.5951 29.77573 355.8442 28.93240 -7.249084      41.51720 
1 1 1 1   17 22 o 263.8545 26.02692 16.80185       3.188317  17.60031       4.617762  16.07445       4.407506  266.4815 37.90644 254.4326 37.98944 12.04895       53.66652 
1 1 1 1   17 23 o 89.37698 38.00554 0.2047174      2.793571  0.6784101      4.088935  -0.2099289     3.825610  109.5976 46.26029 100.6114 43.64460 8.986191       63.59926 
1 1 1 1   17 24 o 250.6074 31.18908 15.43155       3.597217  9.625446       5.632737  19.43048       4.674644  190.5280 57.80271 279.6337 36.40060 -89.10570      68.30927 
1 1 1 1   17 25 o 104.2575 41.07740 1.724940       2.962862  1.560971       4.291510  1.874280       4.095593  117.0248 48.23462 117.3456 47.59292 -0.3208160     67.76182 
1 1 1 1   17 26 o 139.8284 43.50132 4.965756       3.165831  7.527724       4.525433  2.510256       4.430403  168.9399 51.92028 124.5888 49.86011 44.35114       71.98434 
1 1 1 1   17 27 o 229.3870 30.05388 13.04791       3.164925  7.940186       4.495287  18.06838       4.456721  171.9426 51.52013 267.6319 36.34019 -95.68924      63.04708 
1 1 1 1   17 28 o 131.4874 42.16618 4.416079       2.953955  2.738815       4.390617  5.803116       3.992721  124.1949 49.65937 148.9676 49.11325 -24.77270      69.84386 
1 1 1 1   17 29 f 70.74781 33.40887 -2.873653      2.914969  -6.991677      4.782120  -0.4389236     3.677066  81.42475 39.55823 94.62197 41.86141 -13.19722      57.59541 
1 1 1 1   17 30 o 194.6361 35.52673 9.901962       3.132873  13.91201       5.336558  7.793180       3.869922  220.0337 52.32365 166.7828 47.20115 53.25092       70.46781 
1 1 1 1   17 31 o 107.9895 41.43909 2.558841       2.953439  1.119798       4.916549  3.371319       3.694274  113.3368 49.32143 120.2046 46.29078 -6.867813      67.64199 
1 1 1 1   17 32 o 356.3642 38.34867 34.33413       6.327360  0.000000       0.000000  34.33413       6.327360  ?        ?        356.3642 38.34867 0.000000       38.34867 
1 1 1 1   19 0  o 939.8826 11.38045 207.8716       5.031559  219.6655       7.355306  197.4985       6.898078  965.9401 16.18756 915.9164 16.01043 50.02374       22.76776 
1 1 1 1   19 1  o 351.0232 13.91264 29.00172       2.297284  36.77170       4.537511  26.32359       2.663935  394.1952 24.59288 333.9308 17.01531 60.26440       29.90536 
1 1 1 1   19 2  o 1134.009 12.54694 302.6425       6.693048  331.2602       10.18073  280.8588       8.882357  1186.022 18.24807 1092.145 17.28936 93.87781       25.13790 
1 1 1 1   19 3  o 1169.247 12.69569 321.7513       6.982837  348.1418       10.53850  301.0965       9.323236  1215.838 18.42613 1130.778 17.52751 85.05981       25.43100 
1 1 1 1   19 4  o 891.5067 18.50512 187.1867       7.760429  211.9798       11.77763  168.1629       10.31670  948.0490 26.40936 844.4390 25.97188 103.6100       37.04042 
1 1 1 1   19 5  o 199.2690 53.50325 9.771107       5.120863  0.000000       0.000000  9.771107       5.120863  ?        ?        199.2690 53.50325 0.000000       53.50325 
1 1 1 1   19 6  o 1182.719 21.11961 329.6339       11.74998  356.7182       17.69301  308.2640       15.71607  1229.061 30.60263 1142.742 29.23658 86.31958       42.32373 
1 1 1 1   19 7  o 1134.582 21.03911 303.3762       11.22878  314.2093       16.20507  293.3710       15.57355  1153.490 29.86536 1114.609 29.70269 38.88135       42.12112 
1 1 1 1   19 8  o 519.1589 31.00533 63.91201       7.537331  63.91201       7.537331  0.000000       0.000000  519.1589 31.00533 ?        ?        0.000000       31.00533 
1 1 1 1   19 9  o 681.1953 21.00253 109.3928       6.729960  113.4067       9.687059  105.6480       9.356734  692.7762 29.72553 668.6563 29.74761 24.11993       42.05387 
1 1 1 1   19 10 o 570.3173 22.17166 76.71934       5.948180  70.60048       8.129495  83.76934       8.726158  545.3697 31.82685 594.2955 31.32477 -48.92578      44.65635 
1 1 1 1   19 11 o 553.0677 10.18885 71.99236       2.650774  88.10940       4.952594  65.52164       3.138100  611.4724 17.21815 527.5322 12.64586 83.94019       21.36311 
1 1 1 1   19 12 o 241.3462 12.93652 13.75605       1.463333  13.93997       2.729737  13.68188       1.733453  241.7202 24.33805 240.4870 15.40424 1.233246       28.80332 
1 1 1 1   19 13 o 833.7404 12.13877 163.6958       4.760743  171.3357       7.223739  157.8296       6.329878  852.3418 18.01685 818.2433 16.44537 34.09851       24.39379 
1 1 1 1   19 14 o 152.3949 27.25263 5.664794       1.881943  8.625442       3.074713  3.891201       2.379787  187.2416 36.21838 126.7560 37.36836 60.48558       52.04004 
1 1 1 1   19 15 o 551.9760 12.78668 71.79063       3.320071  63.14415       4.634610  80.90524       4.758416  517.0983 19.05333 585.5311 17.27599 -68.43286      25.71943 
1 1 1 1   19 16 o 126.9693 34.57935 3.974405       2.121135  5.746842       3.200535  2.586125       2.832539  152.4014 42.85333 113.5422 41.15802 38.85919       59.41710 
1 1 1 1   19 17 o 382.5776 17.23205 34.57517       3.101171  31.09394       4.880982  36.93180       4.015928  360.2483 29.04984 394.3099 21.73499 -34.06165      36.28089 
1 1 1 1   19 18 o 380.8359 16.58227 34.27050       2.970648  28.06068       4.103360  41.10956       4.306242  342.5860 25.64861 415.7944 22.09593 -73.20840      33.85382 
1 1 1 1   19 19 o 409.4014 16.78467 39.63680       3.232446  37.38666       4.649660  41.74151       4.496904  395.5169 25.12150 418.5420 22.92770 -23.02505      34.01131 
1 1 1 1   19 20 o 116.6578 40.05822 3.069270       2.654411  2.776466       3.571846  3.430440       3.966977  121.3818 45.81075 130.6592 48.48357 -9.277397      66.70293 
1 1 1 1   19 21 o 97.35126 38.43594 1.381125       2.599082  3.295066       4.020749  0.7324274E-02  3.406470  129.4730 48.65899 96.82901 41.58972 32.64400       64.01095 
1 1 1 1   19 22 o 94.22341 37.56683 1.207743       2.505432  0.8068202      3.567401  1.597975       3.519516  104.4007 43.58300 110.0068 44.29279 -5.606110      62.13959 
1 1 1 1   19 23 o 139.3515 41.59821 4.887269       2.934641  6.192034       4.877974  4.147154       3.673861  159.0098 54.30955 134.2166 47.06738 24.79320       71.86700 
1 1 1 1   19 24 o 128.7414 41.11106 4.079997       2.810241  -2.285207      4.043029  10.02995       3.908926  91.49570 41.86001 197.0801 43.34330 -105.5844      60.25696 
1 1 1 1   19 25 o 387.6056 19.67975 35.92693       3.576447  31.63916       5.027959  40.31823       5.088301  359.7528 29.98418 407.9327 26.66311 -48.17984      40.12446 
1 1 1 1   19 26 o 93.96610 39.32709 0.6813983      2.915195  -6.098779      4.002379  8.342991       4.254586  75.18234 36.44802 176.6124 49.31971 -101.4301      61.32611 
1 1 1 1   19 27 o 206.0297 38.05584 10.94474       3.552387  -5.267539      6.949011  16.68048       4.133290  110.3776 51.95867 256.8997 35.12298 -146.5221      62.71624 
1 1 1 1   19 28 o 190.6779 34.95029 9.360945       3.019349  2.706302       4.746938  13.88260       3.912911  125.7240 51.14634 232.0059 37.10379 -106.2818      63.18734 
1 1 1 1   19 29 o 214.2988 31.64339 11.69962       3.093903  9.233057       4.797918  13.45534       4.047941  179.0816 53.12815 225.5406 39.59863 -46.45895      66.26199 
1 1 1 1   19 30 o 183.7070 44.07282 9.417164       3.759802  10.90963       4.901203  7.282997       5.860900  192.0064 52.67648 158.4152 58.90202 33.59122       79.02062 
1 1 1 1   21 0  o 382.6742 11.20506 34.46401       2.017032  38.84581       2.803088  29.75894       2.904651  406.1838 14.67050 355.4404 17.37232 50.74335       22.73810 
1 1 1 1   21 1  o 346.2548 22.19978 28.38288       3.596828  0.000000       0.000000  28.38288       3.596828  ?        ?        346.2548 22.19978 0.000000       22.19978 
1 1 1 1   21 2  o 1400.090 16.53690 461.6863       10.89130  473.6799       13.78157  441.7361       17.77456  1417.614 20.66672 1367.829 27.62472 49.78479       34.49983 
1 1 1 1   21 3  o 909.7886 10.97123 194.8002       4.695318  202.7967       6.701493  187.0898       6.580523  927.9988 15.35164 891.3127 15.69499 36.68610       21.95463 
1 1 1 1   21 4  o 802.0181 18.99313 151.5806       7.165559  157.1046       10.42900  146.6409       9.862016  815.6797 27.18027 788.1134 26.60160 27.56628       38.03172 
1 1 1 1   21 5  f 490.8644 21.28238 56.81486       4.914180  57.19382       6.883354  56.42093       7.018002  490.9914 29.94594 487.5367 30.75877 3.454651       42.92856 
1 1 1 1   21 6  o 696.0939 20.17401 114.2417       6.605861  114.4174       9.273328  114.0606       9.412420  695.8131 28.33177 694.6721 28.80396 1.140991       40.40244 
1 1 1 1   21 7  o 460.0379 32.49858 50.35672       6.987535  50.35672       6.987535  0.000000       0.000000  460.0379 32.49858 ?        ?        0.000000       32.49858 
1 1 1 1   21 8  o 395.2326 25.60603 37.06016       4.735025  38.19858       6.636730  35.87991       6.757580  399.6911 35.67378 386.9112 37.60382 12.77988       51.83307 
1 1 1 1   21 9  o 925.0383 21.18380 201.9462       9.217919  215.0417       13.57938  190.7551       12.55323  952.8710 30.29538 897.5656 29.73170 55.30536       42.44743 
1 1 1 1   21 10 o 814.9577 21.59936 156.8195       8.280285  164.0607       11.98571  150.2081       11.45265  831.9291 30.62726 796.0411 30.58449 35.88800       43.28326 
1 1 1 1   21 11 o 556.4890 23.52534 73.21130       6.158312  72.80025       8.514137  73.66232       8.918246  552.6270 32.90098 555.5836 34.29169 -2.956604      47.52256 
1 1 1 1   21 12 o 408.3408 14.23160 39.30000       2.733667  40.75506       7.238390  39.05795       2.952305  411.5805 37.80951 407.0074 15.42019 4.573151       40.83309 
1 1 1 1   21 13 o 561.8766 10.69650 74.35210       2.827171  81.13597       4.378289  69.50060       3.702569  586.4863 15.87001 542.9371 14.49721 43.54926       21.49479 
1 1 1 1   21 14 o 575.2197 10.88492 77.94187       2.945291  81.96867       4.690063  75.31977       3.784626  589.2546 16.92024 565.1547 14.23595 24.09991       22.11236 
1 1 1 1   21 15 o 160.6260 20.97573 6.208632       1.547057  6.001341       2.854109  6.294876       1.840968  155.0596 39.12886 160.9961 25.12959 -5.936539      46.50337 
1 1 1 1   21 16 o 519.3597 12.60515 63.60644       3.079537  60.43518       4.703737  65.98548       4.074062  505.2903 19.78940 528.5115 16.38717 -23.22116      25.69357 
1 1 1 1   21 17 o 296.4189 16.51183 20.83279       2.293205  17.89760       3.464769  23.12095       3.059141  272.6691 27.38273 311.5847 20.99387 -38.91559      34.50444 
1 1 1 1   21 18 o 521.4585 14.06329 64.21567       3.449657  61.21538       5.003656  66.93359       4.762384  507.8801 20.94387 531.4820 19.04876 -23.60190      28.31079 
1 1 1 1   21 19 o 231.2115 33.69524 13.14443       3.557046  13.14443       3.557046  0.000000       0.000000  231.2115 33.69524 ?        ?        0.000000       33.69524 
1 1 1 1   21 20 o 147.9448 34.13036 5.498235       2.326874  5.196824       3.389300  5.766954       3.200226  144.8240 45.00308 151.0696 42.98222 -6.245667      62.23141 
1 1 1 1   21 21 o 748.9363 14.43367 132.6601       5.085001  125.4868       7.080977  140.2984       7.306897  726.2742 20.72637 768.1510 20.22167 -41.87683      28.95684 
1 1 1 1   21 22 o 157.9386 41.31094 6.380478       3.104229  -1.090071      7.884691  7.750840       3.376961  137.3668 61.00948 173.8756 41.80267 -36.50879      73.95688 
1 1 1 1   21 23 o 353.3771 19.51688 29.81804       3.231703  24.29517       4.478050  35.82077       4.668536  315.3426 30.57221 385.2985 25.90870 -69.95593      40.07394 
1 1 1 1   21 24 o 91.49792 37.32896 0.9360127      2.537685  -0.6066307     3.538326  2.569983       3.641557  93.63852 41.26319 118.4466 45.86249 -24.80810      61.69294 
1 1 1 1   21 25 o 144.1525 47.78534 5.244290       3.777845  5.244290       3.777845  0.000000       0.000000  144.1525 47.78534 ?        ?        0.000000       47.78534 
1 1 1 1   21 26 o 256.1225 22.85452 15.92293       2.724598  15.69031       3.770371  16.17717       3.941659  250.2229 32.82405 253.6380 33.88376 -3.415085      47.17550 
1 1 1 1   21 27 o 249.1805 23.74009 15.17520       2.749048  12.11577       3.776089  18.62527       4.009922  215.8165 38.61292 272.4050 31.89723 -56.58847      50.08383 
1 1 1 1   21 28 o 275.0954 33.08649 19.24974       4.195703  0.000000       0.000000  19.24974       4.195703  ?        ?        275.0954 33.08649 0.000000       33.08649 
1 1 1 1   21 29 f 259.3358 45.15645 18.52259       5.308581  18.52259       5.308581  0.000000       0.000000  259.3358 45.15645 ?        ?        0.000000       45.15645 
1 1 1 1   23 0  o 513.2462 10.49801 62.00742       2.534556  59.48566       3.375207  65.26821       3.838038  502.5280 14.27811 526.3162 15.50220 -23.78818      21.07564 
1 1 1 1   23 1  o 310.6808 18.97297 22.84709       2.759512  0.000000       0.000000  22.84709       2.759512  ?        ?        310.6808 18.97297 0.000000       18.97297 
1 1 1 1   23 2  o 732.2657 10.34521 126.2192       3.563504  131.1777       4.988944  121.0543       5.091742  746.2447 14.21209 716.8017 15.10073 29.44299       20.73682 
1 1 1 1   23 3  o 890.7291 10.93631 186.7799       4.582323  197.6783       6.636215  176.8483       6.335037  915.9332 15.40236 866.3179 15.54542 49.61530       21.88362 
1 1 1 1   23 4  o 915.7557 26.72473 198.3651       11.51230  0.000000       0.000000  198.3651       11.51230  ?        ?        915.7557 26.72473 0.000000       26.72473 
1 1 1 1   23 5  o 345.9082 25.55407 28.44738       4.128618  28.09453       5.676610  28.84364       6.015621  341.9834 35.81844 346.2059 37.53972 -4.222504      51.88633 
1 1 1 1   23 6  o 1140.885 21.44482 307.3772       11.50890  333.8288       17.20138  285.9394       15.48558  1186.426 30.82148 1098.280 29.97404 88.14600       42.99310 
1 1 1 1   23 7  o 150.3981 48.74719 5.288390       3.940017  8.094531       5.385271  2.056183       5.779660  182.8391 56.71255 139.0496 56.48708 43.78958       80.04439 
1 1 1 1   23 8  o 515.3009 23.67092 62.80090       5.737801  73.18669       8.506763  54.13199       7.771892  553.9389 32.79224 475.6268 34.98241 78.31207       47.94893 
1 1 1 1   23 9  o 382.0603 41.41661 35.34483       7.324289  0.000000       0.000000  35.34483       7.324289  ?        ?        382.0603 41.41661 0.000000       41.41661 
1 1 1 1   23 11 o 455.7695 25.47249 49.40471       5.439318  53.65636       7.578276  44.88704       7.811752  472.9657 34.29515 431.1219 38.93966 41.84381       51.88887 
1 1 1 1   23 12 o 172.2524 49.43148 7.391466       4.214644  5.909632       5.676243  9.212248       6.292021  164.4354 58.42345 193.6098 61.48233 -29.17447      84.81377 
1 1 1 1   23 13 o 707.5183 23.41437 118.7079       7.792726  113.7337       10.62666  124.4947       11.46183  689.8456 32.74730 721.3777 33.77705 -31.53217      47.04546 
1 1 1 1   23 14 o 147.8133 16.97561 5.230250       1.158927  5.546646       1.892933  5.040545       1.465747  150.3013 27.79723 144.1465 22.33936 6.154846       35.66136 
1 1 1 1   23 15 o 531.8329 15.07117 66.79913       3.770434  65.96040       4.125957  71.04638       9.284700  528.2525 16.60405 541.9158 36.63747 -13.66333      40.22435 
1 1 1 1   23 16 o 446.9828 11.82053 47.12091       2.485404  40.78478       4.305617  50.28728       3.043714  413.8375 22.19849 461.4990 14.02051 -47.66150      26.25543 
1 1 1 1   23 17 f 358.6577 12.92147 30.36253       2.180024  35.06283       3.909314  28.24119       2.626291  383.5804 21.75537 345.5576 16.15672 38.02277       27.09863 
1 1 1 1   23 18 f 458.7915 12.96886 49.69630       2.798895  42.84576       4.190118  55.21562       3.761027  424.6956 20.97390 483.0206 16.55280 -58.32495      26.71890 
1 1 1 1   23 19 f 231.6687 18.77696 12.81301       2.028663  9.289607       3.452624  14.67082       2.507083  191.8821 39.56569 247.4061 21.76359 -55.52397      45.15637 
1 1 1 1   23 20 o 103.7488 34.15207 2.515123       1.930935  2.452124       3.217813  2.550574       2.413843  114.5459 43.42067 108.1173 38.13244 6.428688       57.78787 
1 1 1 1   23 21 o 266.2638 19.87527 16.95647       2.471457  11.28477       3.646264  21.77666       3.361422  211.8067 37.99233 300.8818 23.94792 -89.07506      44.91013 
1 1 1 1   23 22 o 271.9171 20.87629 17.73417       2.649913  21.72375       4.110683  14.89741       3.466268  298.3504 29.68403 246.2718 30.57926 52.07858       42.61728 
1 1 1 1   23 23 o 264.6174 26.17748 17.02983       3.215748  16.98276       6.834713  17.04321       3.644325  249.0616 59.20644 263.4104 29.94347 -14.34877      66.34767 
1 1 1 1   23 24 o 419.5367 18.02620 41.95264       3.557487  38.75415       4.574159  46.84899       5.659460  400.3431 24.40554 438.6999 27.56458 -38.35678      36.81626 
1 1 1 1   23 25 o 133.6427 37.40427 4.616982       2.444265  0.6012756      3.442215  8.701057       3.471395  99.50311 42.24613 181.8975 41.48890 -82.39438      59.21203 
1 1 1 1   23 26 o 124.1825 41.55368 3.871131       2.855081  6.355288       3.280729  -3.882283      5.795986  154.0786 43.40868 102.9227 48.13047 51.15590       64.81400 
1 1 1 1   23 27 o 111.2680 39.23647 2.969563       2.555527  7.268134       4.021726  0.5852614E-01  3.309590  161.6142 48.80000 92.76661 40.41658 68.84762       63.36354 
1 1 1 1   25 0  o 610.1481 12.28196 87.69847       3.525107  87.43842       4.232021  88.28776       6.370688  609.0294 14.77203 611.1136 22.16129 -2.084229      26.63336 
1 1 1 1   25 1  o 1202.803 13.46962 340.9194       7.621125  378.4279       11.71528  313.4006       10.03464  1265.886 19.67382 1152.267 18.51310 113.6188       27.01470 
1 1 1 1   25 2  o 248.7608 12.38708 14.57833       1.449506  14.40948       1.836234  14.85750       2.361180  246.6777 15.90928 249.9832 20.25340 -3.305527      25.75471 
1 1 1 1   25 3  o 484.6876 9.641939 55.30932       2.198344  55.41023       3.065123  55.20244       3.154665  484.9006 13.43773 483.9607 13.85715 0.9398804      19.30267 
1 1 1 1   25 4  o 698.4599 18.54237 115.1794       6.092226  126.5161       9.014469  105.6480       8.265577  730.6396 26.22815 667.6516 26.31807 62.98810       37.15584 
1 1 1 1   25 5  o 612.0377 19.96636 88.50669       5.748390  86.35554       8.015394  90.78479       8.248521  603.1810 28.24932 618.4356 28.35387 -15.25464      40.02456 
1 1 1 1   25 6  o 527.4150 30.22648 66.34959       7.467840  66.34959       7.467840  0.000000       0.000000  527.4150 30.22648 ?        ?        0.000000       30.22648 
1 1 1 1   25 7  o 754.4658 20.45929 134.5846       7.261049  142.5089       10.49875  127.3187       10.05309  774.3688 28.82175 731.8352 29.20230 42.53357       41.03008 
1 1 1 1   25 8  o 359.8741 27.96774 30.95575       4.697345  32.49109       6.755354  29.51843       6.536165  365.8075 39.90518 348.2666 40.66273 17.54092       56.97263 
1 1 1 1   25 9  o 143.3420 57.14440 2.874257       5.796677  0.000000       0.000000  2.874257       5.796677  ?        ?        143.3420 57.14440 0.000000       57.14440 
1 1 1 1   25 10 o 630.2596 22.34592 94.12609       6.625016  88.79311       9.118318  100.0892       9.641973  608.9980 31.94086 647.5050 31.65581 -38.50702      44.97009 
1 1 1 1   25 11 o 482.5206 25.03435 55.45141       5.662742  67.39001       8.186930  44.50060       7.840925  529.7222 33.01947 428.0447 39.38288 101.6774       51.39354 
1 1 1 1   25 12 o 134.9889 55.33613 1.920333       5.610024  1.920333       5.610024  0.000000       0.000000  134.9889 55.33613 ?        ?        0.000000       55.33613 
1 1 1 1   25 13 o 565.2507 24.03432 75.92949       6.390609  84.92867       9.063805  67.03330       9.011791  594.4350 32.53781 526.3642 36.62429 68.07080       48.99028 
1 1 1 1   25 14 o 291.4669 35.88440 20.75229       4.816080  11.80737       6.285361  33.47206       7.495173  213.5357 60.05704 368.1543 44.16079 -154.6186      74.54544 
1 1 1 1   25 16 o 163.3514 21.83590 6.448453       1.635894  0.000000       0.000000  6.448453       1.635894  ?        ?        163.3514 21.83590 0.000000       21.83590 
1 1 1 1   25 17 o 126.3724 20.29626 3.883996       1.165690  3.762088       2.418774  3.920877       1.330382  124.0526 37.93037 126.4129 23.22854 -2.360291      44.47784 
1 1 1 1   25 18 o 321.9417 13.20246 24.48266       1.999408  21.42985       3.778860  25.66957       2.356245  297.9512 27.26388 329.4228 15.20539 -31.47156      31.21735 
1 1 1 1   25 19 o 89.21182 32.00623 1.652147       1.707495  -5.321047      6.444338  2.178657       1.770784  108.4349 50.72181 97.52212 32.72480 10.91283       60.36236 
1 1 1 1   25 20 o 405.6540 13.35363 38.90952       2.548147  41.23555       4.302266  37.65265       3.162524  415.1313 22.11111 398.4196 16.87422 16.71170       27.81439 
1 1 1 1   25 21 o 229.0710 20.46931 12.60887       2.182448  9.155767       3.678770  14.48423       2.711066  188.3394 42.52929 244.7587 23.84986 -56.41925      48.76019 
1 1 1 1   25 22 o 265.1087 18.46817 16.81956       2.288738  19.23271       3.579256  15.15030       2.976886  280.7972 27.44861 249.4995 25.73377 31.29779       37.62516 
1 1 1 1   25 23 o 180.7301 60.60792 8.846612       6.073902  8.846612       6.073902  0.000000       0.000000  180.7301 60.60792 ?        ?        0.000000       60.60792 
1 1 1 1   25 24 o 209.5526 43.21380 11.58701       4.118268  9.042807       5.795254  14.18252       5.853402  180.3582 59.15574 225.2874 55.57744 -44.92915      81.16805 
1 1 1 1   25 25 o 173.2567 47.06740 8.207712       3.935636  8.483949       5.223026  7.844828       5.986403  173.6955 56.10772 168.7380 59.99345 4.957428       82.14190 
1 1 1 1   27 0  o 424.3774 12.86296 42.45411       2.567808  44.02311       3.058147  38.70393       4.727967  431.9693 15.04999 403.1808 25.05297 28.78851       29.22590 
1 1 1 1   27 1  o 454.8563 10.49987 48.73487       2.246610  52.06589       3.114248  45.12028       3.244101  469.8619 14.09009 437.2515 15.77225 32.61044       21.14934 
1 1 1 1   27 2  o 365.0835 13.80527 31.43109       2.370864  40.33889       5.220420  29.11641       2.661128  411.1903 27.14208 351.2179 16.10719 59.97235       31.56159 
1 1 1 1   27 3  o 505.5103 9.648457 60.18134       2.294337  62.45542       3.287972  58.02321       3.203058  514.6458 13.58158 496.0349 13.72724 18.61087       19.31053 
1 1 1 1   27 4  o 797.6976 19.18374 150.4447       7.198483  164.3876       10.70642  138.9417       9.724636  831.6108 27.36875 764.6400 27.03628 66.97083       38.47089 
1 1 1 1   27 5  o 297.8862 29.40621 21.32962       4.066804  23.62069       5.289457  18.01724       6.360064  311.8335 36.76625 267.3059 52.45381 44.52759       64.05591 
1 1 1 1   27 6  o 578.9009 20.88738 79.33472       5.687973  77.11059       7.713381  81.98574       8.421156  568.3318 28.94770 585.5407 30.68025 -17.20892      42.18112 
1 1 1 1   27 7  o 848.1935 20.61698 170.3160       8.226012  167.4198       11.40685  173.4542       11.87387  838.3218 28.92582 853.0448 29.59043 -14.72302      41.37991 
1 1 1 1   27 8  o 630.4914 21.61572 94.18950       6.410889  118.8466       9.946145  76.66469       8.385140  705.8406 29.95566 565.6097 31.64239 140.2309       43.57272 
1 1 1 1   27 9  o 152.9735 49.85514 5.582982       4.118653  9.334126       6.052885  2.348692       5.620436  193.1690 60.15955 137.8964 55.81417 55.27263       82.06334 
1 1 1 1   27 10 o 430.0344 26.45634 44.17084       5.325864  50.20809       7.640879  38.46611       7.427473  455.7496 35.93229 397.1082 40.32072 58.64136       54.00824 
1 1 1 1   27 11 o 272.5198 49.24727 18.70095       6.080845  18.70095       6.080845  0.000000       0.000000  272.5198 49.24727 ?        ?        0.000000       49.24727 
1 1 1 1   27 12 o 260.0104 38.26463 16.64677       4.540169  11.64388       5.921797  23.78122       7.071690  212.4226 57.74661 307.3056 50.68710 -94.88300      76.83653 
1 1 1 1   27 13 o 365.6479 29.57881 32.17779       5.044024  26.67955       6.559831  40.13080       7.889448  328.2637 43.55714 404.2036 42.11153 -75.93991      60.58552 
1 1 1 1   27 14 o 226.8330 45.20912 13.00898       4.654612  7.351368       6.112527  20.81748       7.181052  175.8161 60.76419 284.3843 55.67281 -108.5682      82.41207 
1 1 1 1   27 15 o 142.6719 51.56619 4.406056       4.441571  6.334721       6.173074  2.335910       6.395487  167.9014 60.77568 143.1416 58.92750 24.75978       84.65302 
1 1 1 1   27 16 o 130.6423 50.20636 3.103700       4.339381  3.840666       6.193220  2.392985       6.081917  150.2813 59.33221 140.4634 57.60257 9.817947       82.69442 
1 1 1 1   27 17 o 120.1227 38.50108 3.470803       2.463006  6.242569       5.767471  2.852557       2.723879  164.1461 58.83013 114.3242 40.48737 49.82192       71.41576 
1 1 1 1   27 18 o 244.1607 39.80958 14.97842       4.414704  15.97800       6.065732  13.85256       6.437512  246.5702 53.80844 227.2729 59.51180 19.29723       80.23093 
1 1 1 1   27 19 o 115.3191 46.37266 1.880255       3.852479  -1.641796      5.135058  6.414983       5.826706  108.0990 48.53614 164.1824 59.10094 -56.08340      76.47665 
1 1 1 1   27 20 o 311.0785 48.08649 25.03864       6.809643  0.000000       0.000000  25.03864       6.809643  ?        ?        311.0785 48.08649 0.000000       48.08649 
1 1 1 1   27 21 o 208.8898 43.92818 11.38873       4.179580  10.59156       6.018314  12.13139       5.808886  196.1626 59.80109 210.0401 57.23281 -13.87752      82.77539 
1 1 1 1   27 22 o 143.5080 48.87186 5.185106       3.949958  8.585018       5.559974  1.720571       5.612565  177.5265 57.92870 128.2766 54.17419 49.24992       79.31316 
1 1 1 1   29 0  o 530.0751 12.44310 66.24184       3.102667  67.81849       3.753746  62.84186       5.512322  536.0757 14.88571 514.8804 22.75930 21.19531       27.19504 
1 1 1 1   29 1  f 442.9876 10.84945 46.23785       2.260834  48.26307       3.091134  43.90835       3.315219  452.2653 14.52966 431.1966 16.34435 21.06863       21.86889 
1 1 1 1   29 2  o 741.2349 13.21002 129.5704       4.606049  142.1819       9.213024  125.3677       5.318429  773.7309 25.31296 728.7475 15.51447 44.98340       29.68914 
1 1 1 1   29 3  o 166.6037 11.31456 6.571342       0.8814747 6.976639       1.043053  5.558633       1.648778  171.5129 13.02558 151.2572 23.97209 20.25565       27.28236 
1 1 1 1   29 4  o 510.8086 20.08605 61.75650       4.826387  64.89299       6.809871  58.59097       6.841323  521.3973 27.86610 494.9080 29.52076 26.48932       40.59551 
1 1 1 1   29 5  o 520.8434 30.00455 64.92271       7.320187  64.92271       7.320187  0.000000       0.000000  520.8434 30.00455 ?        ?        0.000000       30.00455 
1 1 1 1   29 6  o 546.1174 21.58899 70.67923       5.546101  77.11059       7.925117  64.50655       7.764103  567.7543 29.77784 518.4631 31.99123 49.29120       43.70536 
1 1 1 1   29 7  o 147.9027 47.03924 5.275324       3.681995  4.319263       5.055305  6.355530       5.373505  147.2193 54.71120 165.6820 56.98907 -18.46272      79.00044 
1 1 1 1   29 8  o 184.1334 59.02630 8.376933       5.788932  0.000000       0.000000  8.376933       5.788932  ?        ?        184.1334 59.02630 0.000000       59.02630 
1 1 1 1   29 9  o 493.5226 24.61847 57.91192       5.715278  51.39715       7.746211  65.69560       8.467052  460.8055 36.02221 521.8022 34.69276 -60.99667      50.01188 
1 1 1 1   29 10 o 678.0225 23.08181 109.2113       7.361788  112.0392       10.41841  106.3912       10.40389  683.4531 32.40584 665.6728 33.22504 17.78027       46.41166 
1 1 1 1   29 11 o 557.0502 24.20671 73.83336       6.343067  82.93699       9.138146  65.36861       8.811661  586.5314 33.25740 519.2664 36.30274 67.26508       49.23356 
1 1 1 1   29 12 o 301.7693 33.54594 22.17417       4.681355  21.89655       6.652524  22.44649       6.588805  294.0663 49.87404 298.3126 48.62875 -4.246277      69.65756 
1 1 1 1   29 13 o 387.8494 28.41431 36.20387       5.147972  36.14745       7.101229  36.26635       7.473709  383.3614 39.96578 383.0635 42.17463 0.2978210      58.10304 
1 1 1 1   29 14 o 406.7243 27.13215 39.76547       5.161241  36.08799       7.233664  43.57907       7.366339  382.1677 40.87156 421.8428 37.51352 -39.67508      55.47746 
1 1 1 1   29 15 o 371.4103 27.22192 33.23946       4.722870  35.01784       6.516939  31.27230       6.854104  377.4675 37.18536 354.4691 41.91734 22.99841       56.03404 
1 1 1 1   29 16 o 415.7307 36.81157 42.50892       7.124461  42.50892       7.124461  0.000000       0.000000  415.7307 36.81157 ?        ?        0.000000       36.81157 
1 1 1 1   29 17 o 198.5763 42.58020 10.12772       3.858051  5.392390       5.154627  16.15934       5.817538  153.1647 55.52183 248.2189 51.51083 -95.05423      75.73665 
1 1 1 1   29 18 o 117.9174 46.53963 2.302347       3.809347  3.828776       5.336699  0.7167063      5.439223  141.6915 55.33696 122.9647 52.67715 18.72682       76.40067 
1 1 1 1   29 19 o 201.5792 44.98188 10.64155       4.157088  7.824020       5.659978  13.94174       6.125612  173.0479 58.50399 225.4359 57.56300 -52.38794      82.07446 
1 1 1 1   29 20 o 128.1366 47.47021 3.617059       3.799821  4.872176       5.282595  2.271403       5.469810  147.1693 55.67081 130.7576 54.22371 16.41168       77.71389 
1 1 1 1   31 0  f 261.2119 14.51001 16.15599       1.775890  17.09249       2.517241  15.22801       2.505775  267.8978 20.12197 252.5827 21.28807 15.31506       29.29293 
1 1 1 1   31 1  o 511.9995 10.55612 61.77583       2.542396  68.39923       3.615356  55.29602       3.575951  538.3170 14.27722 483.8355 15.71175 54.48148       21.22965 
1 1 1 1   31 2  o 177.6578 25.37097 7.653180       2.060044  0.000000       0.000000  7.653180       2.060044  ?        ?        177.6578 25.37097 0.000000       25.37097 
1 1 1 1   31 3  o 710.0394 10.04905 118.7903       3.356423  128.5659       4.891469  110.0920       4.614066  738.0411 14.08930 682.9132 14.36313 55.12787       20.11984 
1 1 1 1   31 4  o 550.3259 19.85200 71.73911       5.139176  73.72176       7.426005  69.91677       7.119467  555.0948 28.53580 540.6857 28.08870 14.40912       40.04081 
1 1 1 1   31 5  o 467.9450 22.18200 51.97049       4.882753  50.53508       7.001820  53.32937       6.812580  457.9262 32.72019 471.0736 30.91505 -13.14743      45.01501 
1 1 1 1   31 6  o 259.6504 34.08430 16.46341       4.062489  19.02497       5.889242  14.13793       5.611286  275.2476 47.18283 234.9877 52.12724 40.25984       70.30981 
1 1 1 1   31 7  o 94.94456 41.00485 -0.2107040     3.347061  0.5460761E-01  4.737871  -0.4750298     4.729059  114.2103 49.05168 111.0538 48.34997 3.156563       68.87515 
1 1 1 1   31 8  f 423.2440 23.24237 42.72255       4.609718  42.83591       6.372449  42.59810       6.676421  421.0881 32.42026 419.3108 34.14495 1.777313       47.08451 
1 1 1 1   31 9  o 103.5979 43.89634 0.3714378      3.704485  6.759810       5.164287  -6.400119      5.316913  167.0700 55.88640 92.68233 44.15871 74.38770       71.22697 
1 1 1 1   31 10 o 112.4121 49.30445 -0.7262188     4.999020  -0.7262188     4.999020  0.000000       0.000000  112.4121 49.30445 ?        ?        0.000000       49.30445 
1 1 1 1   31 11 o 235.4665 37.06271 13.76031       3.969519  15.62426       5.491852  11.72117       5.744139  246.9844 48.99924 211.4794 56.61689 35.50500       74.87588 
1 1 1 1   31 12 o 196.5581 41.07299 9.796561       3.675287  13.18966       5.330184  6.721166       5.074516  225.2855 51.42876 165.4033 55.39819 59.88216       75.59019 
1 1 1 1   31 13 o 431.7510 34.59369 45.54103       6.966854  0.000000       0.000000  45.54103       6.966854  ?        ?        431.7510 34.59369 0.000000       34.59369 
1 1 1 1   31 14 o 182.5695 41.92834 8.546354       3.524942  6.117717       4.919512  11.10880       5.053219  158.5979 54.52990 205.3881 52.19433 -46.79019      75.48349 
1 1 1 1   31 15 o 150.0917 45.34884 5.737884       3.472214  1.887337       4.641068  10.63318       5.232942  123.0010 50.36592 199.8402 54.26660 -76.83922      74.03776 
1 1 1 1   31 16 o 112.4382 44.78809 1.943305       3.558228  3.599881       4.874727  0.5410226E-01  5.205758  136.7128 53.02714 116.9674 50.82605 19.74545       73.45178 
1 1 1 1   33 4  o 464.2897 29.43178 51.87278       6.394742  51.87278       6.394742  0.000000       0.000000  464.2897 29.43178 ?        ?        0.000000       29.43178 
1 1 1 1   33 5  o 304.7188 25.51774 22.31140       3.624048  21.84899       5.552482  22.65458       4.783430  296.7370 40.86206 304.6397 33.95764 -7.902740      53.13030 
1 1 1 1   33 6  o 452.3527 21.56800 48.65429       4.589404  50.56481       6.872467  47.11653       6.165697  457.0860 32.16795 442.0310 29.82687 15.05493       43.86820 
1 1 1 1   33 7  o 185.4367 51.13689 8.882284       4.605029  0.000000       0.000000  8.882284       4.605029  ?        ?        185.4367 51.13689 0.000000       51.13689 
1 1 1 1   33 8  f 241.9357 33.14876 14.38966       3.673356  10.78775       5.072334  18.36207       5.326825  203.3610 52.62111 270.1162 43.39164 -66.75522      68.20422 
1 1 1 1   33 9  o 169.5047 43.38046 7.358526       3.473394  8.421523       4.866226  6.254459       4.959341  180.4088 53.50116 160.6175 54.76110 19.79121       76.55817 
1 1 1 1   33 10 o 315.8412 26.82643 24.09834       3.947953  20.00000       5.229338  29.53032       6.020347  282.7098 40.47733 345.7258 37.62616 -63.01596      55.26429 
1 1 1 2   0  0  o 351.3790 11.88629 29.14685       1.959582  29.14685       1.959582  29.14685       1.959582  351.3790 11.88629 351.3790 11.88629 0.000000       0.000000 
1 1 1 2   0  1  o 235.4784 9.543580 13.10829       1.053192  13.10829       1.053192  13.10829       1.053192  235.4784 9.543580 235.4784 9.543580 0.000000       0.000000 
1 1 1 2   0  2  o 1358.899 18.98928 434.8737       12.13316  434.8737       12.13316  434.8737       12.13316  1358.899 18.98928 1358.899 18.98928 0.000000       0.000000 
1 1 1 2   0  3  o 109.9406 24.68851 3.239545       1.114488  3.239545       1.114488  3.239545       1.114488  109.9406 24.68851 109.9406 24.68851 0.000000       0.000000 
1 1 1 2   0  4  o 521.0554 12.30723 63.98206       3.012770  63.98206       3.012770  63.98206       3.012770  521.0554 12.30723 521.0554 12.30723 0.000000       0.000000 
1 1 1 2   0  5  o 104.4789 36.24991 3.355302       1.607938  3.355302       1.607938  3.355302       1.607938  104.4789 36.24991 104.4789 36.24991 0.000000       0.000000 
1 1 1 2   0  6  o 621.7119 14.03989 91.08445       4.101303  91.08445       4.101303  91.08445       4.101303  621.7119 14.03989 621.7119 14.03989 0.000000       0.000000 
1 1 1 2   0  7  o 572.6228 14.56977 77.30232       3.918814  77.30232       3.918814  77.30232       3.918814  572.6228 14.56977 572.6228 14.56977 0.000000       0.000000 
1 1 1 2   0  8  f 1182.717 26.80616 329.9644       14.89638  329.9644       14.89638  329.9644       14.89638  1182.717 26.80616 1182.717 26.80616 0.000000       0.000000 
1 1 1 2   0  9  o 389.2643 17.79542 35.88536       3.243025  35.88536       3.243025  35.88536       3.243025  389.2643 17.79542 389.2643 17.79542 0.000000       0.000000 
1 1 1 2   0  10 o 57.82442 37.50149 -0.1444546     2.424823  -0.1444546     2.424823  -0.1444546     2.424823  57.82442 37.50149 57.82442 37.50149 0.000000       0.000000 
1 1 1 2   0  11 o 414.6805 20.17427 40.78311       3.914090  40.78311       3.914090  40.78311       3.914090  414.6805 20.17427 414.6805 20.17427 0.000000       0.000000 
1 1 1 2   0  12 o 332.3390 23.40864 26.42310       3.617838  26.42310       3.617838  26.42310       3.617838  332.3390 23.40864 332.3390 23.40864 0.000000       0.000000 
1 1 1 2   0  13 o 277.7064 28.72013 18.78025       3.659911  18.78025       3.659911  18.78025       3.659911  277.7064 28.72013 277.7064 28.72013 0.000000       0.000000 
1 1 1 2   0  14 o 339.1906 25.74753 27.58844       4.053742  27.58844       4.053742  27.58844       4.053742  339.1906 25.74753 339.1906 25.74753 0.000000       0.000000 
1 1 1 2   0  15 o 854.9489 19.91304 172.3704       7.998613  172.3704       7.998613  172.3704       7.998613  854.9489 19.91304 854.9489 19.91304 0.000000       0.000000 
1 1 1 2   0  16 o 1841.677 27.65977 799.5966       23.95027  799.5966       23.95027  799.5966       23.95027  1841.677 27.65977 1841.677 27.65977 0.000000       0.000000 
1 1 1 2   0  17 o 1386.950 23.64186 453.3588       15.41442  453.3588       15.41442  453.3588       15.41442  1386.950 23.64186 1386.950 23.64186 0.000000       0.000000 
1 1 1 2   0  18 o 1336.946 23.72494 421.3305       14.91007  421.3305       14.91007  421.3305       14.91007  1336.946 23.72494 1336.946 23.72494 0.000000       0.000000 
1 1 1 2   0  19 o 312.1969 33.46381 23.76555       4.771870  23.76555       4.771870  23.76555       4.771870  312.1969 33.46381 312.1969 33.46381 0.000000       0.000000 
1 1 1 2   0  20 o 354.3692 31.99977 30.33627       5.234210  30.33627       5.234210  30.33627       5.234210  354.3692 31.99977 354.3692 31.99977 0.000000       0.000000 
1 1 1 2   0  21 o 114.5901 60.35220 4.525042       4.324456  4.525042       4.324456  4.525042       4.324456  114.5901 60.35220 114.5901 60.35220 0.000000       0.000000 
1 1 1 2   0  22 o 713.4091 25.90013 120.5023       8.665815  120.5023       8.665815  120.5023       8.665815  713.4091 25.90013 713.4091 25.90013 0.000000       0.000000 
1 1 1 2   0  23 o 176.7982 80.53769 10.96314       7.266973  10.96314       7.266973  10.96314       7.266973  176.7982 80.53769 176.7982 80.53769 0.000000       0.000000 
1 1 1 2   0  24 o 170.2441 81.16250 10.38347       7.437105  10.38347       7.437105  10.38347       7.437105  170.2441 81.16250 170.2441 81.16250 0.000000       0.000000 
1 1 1 2   0  25 o 94.86467 58.14005 1.918553       4.976646  1.918553       4.976646  1.918553       4.976646  94.86467 58.14005 94.86467 58.14005 0.000000       0.000000 
1 1 1 2   0  26 o 525.0200 28.23656 65.91893       6.927513  65.91893       6.927513  65.91893       6.927513  525.0200 28.23656 525.0200 28.23656 0.000000       0.000000 
1 1 1 2   0  27 o 152.7652 65.80924 8.145182       4.856952  8.145182       4.856952  8.145182       4.856952  152.7652 65.80924 152.7652 65.80924 0.000000       0.000000 
1 1 1 2   0  28 o 210.6359 61.85210 13.26570       5.324617  13.26570       5.324617  13.26570       5.324617  210.6359 61.85210 210.6359 61.85210 0.000000       0.000000 
1 1 1 2   0  29 o 108.8581 62.18559 4.042492       5.010108  4.042492       5.010108  4.042492       5.010108  108.8581 62.18559 108.8581 62.18559 0.000000       0.000000 
1 1 1 2   0  30 o 83.57066 53.57263 0.6483158      4.763754  0.6483158      4.763754  0.6483158      4.763754  83.57066 53.57263 83.57066 53.57263 0.000000       0.000000 
1 1 1 2   0  31 o 65.37635 45.20885 -3.319552      4.729232  -3.319552      4.729232  -3.319552      4.729232  65.37635 45.20885 65.37635 45.20885 0.000000       0.000000 
1 1 1 2   0  32 o 97.73405 61.38881 2.043995       5.894975  2.043995       5.894975  2.043995       5.894975  97.73405 61.38881 97.73405 61.38881 0.000000       0.000000 
1 1 1 2   0  33 o 477.8565 30.59038 55.86250       6.811635  55.86250       6.811635  55.86250       6.811635  477.8565 30.59038 477.8565 30.59038 0.000000       0.000000 
1 1 1 2   0  34 o 400.7169 29.93554 39.57652       5.570394  39.57652       5.570394  39.57652       5.570394  400.7169 29.93554 400.7169 29.93554 0.000000       0.000000 
1 1 1 2   0  35 o 105.7559 64.04478 4.007135       5.881450  4.007135       5.881450  4.007135       5.881450  105.7559 64.04478 105.7559 64.04478 0.000000       0.000000 
1 1 1 2   0  36 o 111.5438 65.05500 5.225922       5.659523  5.225922       5.659523  5.225922       5.659523  111.5438 65.05500 111.5438 65.05500 0.000000       0.000000 
1 1 1 2   2  0  o 1150.911 13.19118 311.7506       7.141584  314.9694       8.811547  305.5886       12.19187  1156.644 16.19508 1138.742 22.76018 17.90259       27.93396 
1 1 1 2   2  1  o 581.8668 8.778067 79.65489       2.402657  81.15340       4.346841  78.99567       2.883109  587.1258 15.73886 579.4160 10.57794 7.709778       18.96324 
1 1 1 2   2  2  o 859.1922 9.597482 173.6886       3.878975  179.1482       5.637234  168.7789       5.345762  872.4323 13.73615 846.8211 13.41988 25.61121       19.20352 
1 1 1 2   2  3  o 815.2883 9.623645 156.3920       3.690797  150.2665       5.036276  163.4981       5.424464  799.0306 13.39914 833.4487 13.83594 -34.41815      19.26058 
1 1 1 2   2  4  o 754.3160 11.02907 133.8896       3.913464  132.6397       6.628533  134.5584       4.848718  750.4573 18.77682 756.1052 13.63250 -5.647888      23.20375 
1 1 1 2   2  5  o 491.8232 9.291965 56.91149       2.149740  59.01382       3.073920  54.89897       3.007548  500.7449 13.04989 482.9672 13.23810 17.77765       18.58889 
1 1 1 2   2  6  o 1557.846 15.70656 571.3401       11.50999  575.3413       16.42265  567.4773       16.13629  1562.544 22.34300 1551.860 22.10457 10.68457       31.42963 
1 1 1 2   2  7  o 995.9099 13.66009 233.4451       6.399454  232.2585       7.853009  235.7907       11.04125  993.1962 16.80861 1000.215 23.46689 -7.019043      28.86562 
1 1 1 2   2  8  o 612.8534 10.74496 88.37869       3.097637  87.10032       4.355831  89.68671       4.406040  608.2672 15.22325 617.2340 15.17502 -8.966797      21.49485 
1 1 1 2   2  9  o 622.4307 11.27901 91.17103       3.302412  90.68480       4.699612  91.64532       4.641562  620.5941 16.09849 623.8841 15.81579 -3.289978      22.56769 
1 1 1 2   2  10 o 1344.953 14.92593 425.9312       9.443172  426.0578       13.38099  425.8057       13.32849  1344.395 21.15886 1344.008 21.08190 0.3867188      29.86878 
1 1 1 2   2  11 o 545.7167 12.63717 70.12114       3.244041  71.97388       4.712783  68.45273       4.472200  552.5595 18.13131 538.9059 17.64164 13.65356       25.29766 
1 1 1 2   2  12 o 555.3101 15.27159 72.68295       3.989231  74.66309       4.912033  68.84662       6.837077  562.5389 18.56263 539.2484 26.95332 23.29053       32.72694 
1 1 1 2   2  13 f 859.9719 13.41347 174.2264       5.426185  171.1845       7.650998  177.3048       7.696776  851.7216 19.09638 866.8463 18.87546 -15.12469      26.85060 
1 1 1 2   2  14 o 1954.170 20.17012 900.7224       18.54130  865.6358       25.15782  942.4400       27.43229  1913.248 27.95325 1995.823 29.21938 -82.57422      40.43707 
1 1 1 2   2  15 o 484.1049 17.90586 55.20945       4.077593  56.00476       7.314117  54.85080       4.911700  485.6623 32.19795 482.3519 21.64704 3.310425       38.79823 
1 1 1 2   2  16 f 166.3336 40.61491 6.813972       3.150299  7.838651       3.806627  4.586802       5.612069  178.3629 45.28736 156.2484 57.72869 22.11449       73.37265 
1 1 1 2   2  17 o 440.7422 23.99874 45.93617       4.956819  0.000000       0.000000  45.93617       4.956819  ?        ?        440.7422 23.99874 0.000000       23.99874 
1 1 1 2   2  18 f 1121.249 15.73285 296.0373       8.298101  285.2096       11.42725  308.1167       12.06965  1099.935 22.08542 1143.211 22.44394 -43.27588      31.48803 
1 1 1 2   2  19 o 1292.609 16.66512 393.5615       10.13317  387.3616       14.20706  399.9817       14.45713  1281.446 23.56864 1302.148 23.60220 -20.70178      33.35483 
1 1 1 2   2  20 o 1227.964 19.15836 355.4544       11.06658  350.3775       13.54754  365.6362       19.18544  1218.452 23.63648 1242.740 32.81876 -24.28821      40.44445 
1 1 1 2   2  21 o 433.8913 22.69407 44.56374       4.615844  48.30559       8.702669  43.09905       5.444809  448.5229 41.72614 426.0657 27.31050 22.45715       49.86918 
1 1 1 2   2  22 o 196.0127 37.52384 9.444917       3.333861  11.86890       4.950490  7.433249       4.509840  218.1422 49.39203 174.2924 51.45857 43.84976       71.32712 
1 1 1 2   2  23 o 447.7237 23.12866 47.54934       4.854496  39.98217       8.377677  51.37456       5.956411  405.5911 44.64977 464.6638 27.37152 -59.07266      52.37177 
1 1 1 2   2  24 f 667.3118 17.76388 105.2069       5.576168  110.1397       8.062570  100.6840       7.720343  681.2452 25.15943 651.3370 25.19773 29.90820       35.60790 
1 1 1 2   2  25 o 207.9306 37.52683 10.72569       3.535478  10.72410       5.009568  10.72726       4.990330  204.7014 51.94041 204.7534 51.77895 -0.5197144E-01 73.34075 
1 1 1 2   2  26 o 307.7617 29.87496 22.93113       4.270564  27.63749       5.493989  15.74614       6.788253  336.3706 35.24513 244.5081 59.56833 91.86247       69.21420 
1 1 1 2   2  27 o 476.4135 23.06246 54.18763       5.168434  47.74079       8.445167  58.04819       6.535219  438.3286 41.45002 490.4341 28.44987 -52.10553      50.27424 
1 1 1 2   2  28 o 128.5434 45.62863 3.772744       3.461503  0.8534600      5.057882  6.344689       4.747460  120.0463 51.09507 158.9018 53.58144 -38.85549      74.03834 
1 1 1 2   2  29 o 423.9954 30.80042 44.14406       6.101145  46.40310       9.415477  42.50892       8.010453  422.3450 48.25846 408.5792 42.29068 13.76581       64.16682 
1 1 1 2   2  30 o 308.0507 32.99815 23.69294       4.707279  23.90436       5.554324  23.15399       8.868303  305.7052 39.55147 280.0473 67.99963 25.65793       78.66554 
1 1 1 2   2  31 o 157.9746 45.56010 6.713129       3.572322  2.223562       5.106614  11.01573       4.999152  125.7089 52.28293 198.5726 52.65941 -72.86367      74.20592 
1 1 1 2   2  32 o 155.7241 45.10891 6.606590       3.495015  5.110591       4.858274  8.211288       5.031681  143.2579 53.55622 170.0786 55.08406 -26.82072      76.82787 
1 1 1 2   2  33 o 491.9229 21.45936 58.78891       4.965730  63.85831       7.115041  53.97466       6.933675  504.2277 30.13518 461.4341 32.14442 42.79367       44.06124 
1 1 1 2   2  34 f 143.2630 46.05840 5.812174       3.522775  3.804994       6.299511  6.725464       4.249308  135.6867 57.35367 151.8091 50.69484 -16.12233      76.54678 
1 1 1 2   2  35 o 137.4326 46.42168 5.510467       3.563540  -2.634364      5.883012  10.23091       4.478682  101.9029 47.91927 182.1051 50.51281 -80.20223      69.62615 
1 1 1 2   2  36 o 121.6515 47.44362 4.131619       3.918597  2.491082       5.326376  6.067182       5.785520  116.5456 51.01082 138.1934 56.36974 -21.64777      76.02402 
1 1 1 2   4  0  o 538.0573 7.111469 68.10494       1.799936  68.31397       2.539085  67.89378       2.551952  538.8320 10.01739 537.1707 10.09929 1.661377       14.22476 
1 1 1 2   4  1  o 838.3501 10.96772 165.3811       4.325250  167.2186       5.298821  161.7123       7.487335  842.9026 13.36388 828.6130 19.20907 14.28961       23.40046 
1 1 1 2   4  2  o 1096.748 13.29149 283.1008       6.857248  288.2283       12.36082  280.8212       8.241759  1105.832 23.76233 1092.159 16.04223 13.67322       28.67057 
1 1 1 2   4  3  o 410.1873 8.878263 39.58512       1.713087  36.71225       2.680884  41.56772       2.227085  394.9267 14.43086 420.2960 11.26451 -25.36929      18.30680 
1 1 1 2   4  4  f 849.7136 10.19110 169.8843       4.073454  171.0455       5.807826  168.7600       5.714769  852.4439 14.48367 846.7359 14.34767 5.708008       20.38706 
1 1 1 2   4  5  o 1643.312 16.22942 635.7769       12.54562  656.7947       18.38179  617.4495       17.16502  1669.372 23.40807 1618.717 22.54260 50.65442       32.49780 
1 1 1 2   4  6  o 426.7835 12.01507 42.86342       2.412145  41.44418       2.835389  46.58146       4.589261  419.6103 14.36473 444.6309 21.94188 -25.02066      26.22578 
1 1 1 2   4  7  o 1512.115 15.51883 538.2785       11.03858  549.7296       15.98667  527.8442       15.26045  1527.376 22.25066 1496.735 21.67469 30.64014       31.06258 
1 1 1 2   4  8  o 1622.826 16.55317 620.1121       12.63637  638.2870       18.44663  604.0428       17.34524  1645.446 23.83219 1600.821 23.03394 44.62524       33.14417 
1 1 1 2   4  9  o 1115.533 15.42674 293.0151       8.095166  299.0488       14.54394  290.3068       9.744053  1125.595 27.46823 1110.078 18.66022 15.51636       33.20704 
1 1 1 2   4  10 o 353.6927 29.84322 29.78597       4.918878  0.000000       0.000000  29.78597       4.918878  ?        ?        353.6927 29.84322 0.000000       29.84322 
1 1 1 2   4  11 o 240.4664 20.23064 13.74173       2.267144  13.92970       3.264608  13.56663       3.150867  240.7507 29.44004 237.6632 28.76972 3.087479       41.16324 
1 1 1 2   4  12 o 262.1602 19.72708 16.31438       2.414925  16.16026       3.480895  16.45739       3.353127  259.5300 29.00865 262.1729 27.60372 -2.642944      40.04331 
1 1 1 2   4  13 f 238.3349 26.02060 13.58935       2.869854  12.85266       3.567419  14.94055       4.831373  230.3109 33.94634 246.7612 43.19586 -16.45027      54.93848 
1 1 1 2   4  14 o 1053.656 14.27659 261.4209       7.076075  262.6467       10.11918  260.2480       9.898623  1055.488 20.38088 1050.700 20.02751 4.788208       28.57414 
1 1 1 2   4  15 o 1947.024 20.16004 893.2587       18.46426  890.0945       26.06272  896.4473       26.16239  1941.792 28.53302 1948.707 28.54050 -6.915161      40.35707 
1 1 1 2   4  16 o 1076.857 15.07622 273.0025       7.636948  271.6825       10.98705  274.2363       10.62272  1073.701 21.75345 1078.815 20.93242 -5.113403      30.18905 
1 1 1 2   4  17 o 607.8492 15.12669 86.98805       4.325230  88.57719       6.254055  85.53115       5.988199  613.0574 21.68659 602.4550 21.13014 10.60236       30.27856 
1 1 1 2   4  18 o 684.8118 15.27421 110.4254       4.920385  112.8815       7.118848  108.1788       6.808476  691.9783 21.86996 677.4467 21.36513 14.53168       30.57391 
1 1 1 2   4  19 o 799.2319 21.76595 150.6289       8.183134  150.6289       8.183134  0.000000       0.000000  799.2319 21.76595 ?        ?        0.000000       21.76595 
1 1 1 2   4  20 o 1202.136 16.54068 340.4853       9.353548  365.6604       14.03129  320.3502       12.54841  1244.604 23.96609 1165.127 22.89529 79.47644       33.14465 
1 1 1 2   4  21 o 348.8154 22.79563 28.85032       3.719817  22.67524       5.287288  34.90234       5.234343  306.6860 37.42601 382.8893 29.28364 -76.20331      47.52092 
1 1 1 2   4  22 o 205.4077 41.82175 10.43584       3.903651  2.215815       6.935234  14.24792       4.722861  150.4962 61.59004 240.5588 43.33005 -90.06256      75.30489 
1 1 1 2   4  23 o 155.4867 44.33381 5.964020       3.400899  5.064997       4.701051  6.951149       4.926026  152.1305 53.24824 170.2894 54.43499 -18.15895      76.14816 
1 1 1 2   4  24 o 387.7401 22.56746 35.74918       4.098362  37.25001       5.860963  34.31314       5.733071  393.7262 31.91976 377.6143 32.59468 16.11191       45.62110 
1 1 1 2   4  25 o 292.5468 40.80271 21.12540       5.462199  21.12540       5.462199  0.000000       0.000000  292.5468 40.80271 ?        ?        0.000000       40.80271 
1 1 1 2   4  26 o 79.22839 36.99237 -3.052842      3.402309  -3.559840      4.747743  -2.517623      4.878089  95.79575 44.37602 101.9868 46.39644 -6.191101      64.20172 
1 1 1 2   4  27 o 220.5124 35.46705 12.12043       3.554263  6.206619       5.056818  17.89445       4.996696  159.9699 55.26939 266.6433 41.16190 -106.6734      68.91305 
1 1 1 2   4  28 o 72.83829 36.08015 -10.13892      4.634386  0.000000       0.000000  -10.13892      4.634386  ?        ?        72.83829 36.08015 0.000000       36.08015 
1 1 1 2   4  29 o 592.0931 19.23420 83.74060       5.357144  80.61172       7.570574  86.87871       7.581730  576.0411 27.93869 598.6955 26.92111 -22.65442      38.79841 
1 1 1 2   4  30 o 233.1598 47.97585 14.57405       5.086426  0.000000       0.000000  14.57405       5.086426  ?        ?        233.1598 47.97585 0.000000       47.97585 
1 1 1 2   4  31 o 183.6571 48.80331 9.262387       4.288171  7.029295       4.783504  18.40071       9.676675  161.0121 53.78695 238.6103 76.29654 -77.59822      93.34987 
1 1 1 2   4  32 o 147.0464 45.26642 5.846774       3.438224  5.026088       4.689452  6.800762       5.055975  141.7604 52.69197 157.4999 55.21646 -15.73952      76.32366 
1 1 1 2   4  33 o 246.5029 32.70711 15.60041       3.698924  11.35363       5.070684  20.43045       5.407702  196.4222 53.45213 274.6103 43.29698 -78.18808      68.78778 
1 1 1 2   4  34 o 154.8426 44.34989 6.831783       3.395599  11.96790       5.968265  4.373518       4.129003  192.6799 59.69333 129.9634 49.20475 62.71652       77.35892 
1 1 1 2   4  35 o 76.52583 36.66221 -3.816496      3.773978  -4.241974      5.109234  -3.305589      5.598710  89.54417 42.83532 97.04539 45.96896 -7.501213      62.83319 
1 1 1 2   4  36 o 109.1124 49.21059 1.019917       5.347035  1.019917       5.347035  0.000000       0.000000  109.1124 49.21059 ?        ?        0.000000       49.21059 
1 1 1 2   6  0  o 348.5149 6.999697 28.57324       1.147545  28.51401       1.561394  28.64280       1.692240  348.1269 9.534667 348.9025 10.31071 -0.7755432     14.04353 
1 1 1 2   6  1  o 1569.194 30.84069 581.1534       22.76512  0.000000       0.000000  581.1534       22.76512  ?        ?        1569.194 30.84069 0.000000       30.84069 
1 1 1 2   6  2  o 2024.426 19.07664 965.1940       18.16658  943.2225       35.83336  972.7947       21.07586  1997.318 38.13915 2031.932 22.04991 -34.61389      44.05444 
1 1 1 2   6  3  o 531.8874 13.91879 66.58589       3.482496  66.14150       4.916668  67.03330       4.933359  529.9230 19.72372 533.4861 19.65850 -3.563110      27.84747 
1 1 1 2   6  4  o 1138.494 14.23336 305.0835       7.622675  320.1546       14.22235  299.0094       9.029032  1165.284 25.94600 1126.925 17.03244 38.35950       31.03706 
1 1 1 2   6  5  o 1220.538 12.97957 350.6000       7.452143  354.6024       10.64912  346.7591       10.43208  1227.097 18.44869 1213.464 18.27572 13.63257       25.96837 
1 1 1 2   6  6  f 1083.723 13.87696 276.4386       7.074277  278.9858       8.874135  271.9977       11.71737  1088.478 17.33153 1074.268 23.18719 14.20984       28.94871 
1 1 1 2   6  7  o 1970.321 22.30385 915.0063       20.67218  941.8560       26.00443  868.9061       34.07444  1997.893 27.66978 1916.292 37.80053 81.60144       46.84546 
1 1 1 2   6  8  f 413.3254 11.72179 40.20791       2.279058  36.13463       3.182293  44.49688       3.265465  391.6785 17.27194 434.6884 15.96973 -43.00989      23.52344 
1 1 1 2   6  9  o 916.7626 13.79708 197.9069       5.949953  202.4376       10.26682  195.6157       7.301010  926.1601 23.56571 911.1613 17.03407 14.99884       29.07752 
1 1 1 2   6  10 o 844.6274 14.33621 168.0726       5.695985  172.9489       10.51754  166.0488       6.775645  855.1301 26.14646 839.2228 17.16343 15.90723       31.27652 
1 1 1 2   6  11 o 904.3599 12.84057 192.6502       5.462545  206.8789       8.149041  181.0395       7.361292  936.4118 18.49994 876.0739 17.86257 60.33795       25.71613 
1 1 1 2   6  12 o 632.7736 14.43992 94.33023       4.298158  95.63634       5.479575  92.24139       6.929607  636.8226 18.29191 624.8729 23.57478 11.94971       29.83897 
1 1 1 2   6  13 o 387.3901 22.30443 35.51576       4.047344  0.000000       0.000000  35.51576       4.047344  ?        ?        387.3901 22.30443 0.000000       22.30443 
1 1 1 2   6  14 f 833.5450 13.59295 163.5542       5.329816  158.4491       7.493748  168.7803       7.582025  820.0746 19.42569 846.4160 19.04285 -26.34137      27.20271 
1 1 1 2   6  15 o 1796.842 19.06323 760.5038       16.11297  789.9015       23.76510  735.4919       21.92083  1829.758 27.61066 1765.851 26.38964 63.90613       38.19373 
1 1 1 2   6  16 o 223.9093 26.78607 11.99416       2.765302  9.709282       3.954097  14.18147       3.868755  198.5959 43.52738 242.4946 34.92279 -43.89865      55.80532 
1 1 1 2   6  17 o 1037.435 15.08034 253.3985       7.359383  258.4248       10.67180  248.8406       10.16236  1047.105 21.66596 1027.568 21.02396 19.53735       30.18974 
1 1 1 2   6  18 o 993.3845 15.25361 232.3719       7.127861  227.0163       10.04499  237.8035       10.11602  981.2747 21.76154 1004.356 21.41178 -23.08136      30.52914 
1 1 1 2   6  19 o 678.2545 15.67300 108.3528       5.000506  108.2443       7.203086  108.4538       6.947408  677.3967 22.60509 678.1232 21.77935 -0.7265015     31.38997 
1 1 1 2   6  20 o 76.11012 35.40910 -2.792414      3.073109  -0.6098775     4.402032  -4.867320      4.292119  107.9100 46.81401 85.85033 40.54037 22.05968       61.92797 
1 1 1 2   6  21 o 489.5330 18.67506 56.52301       4.300445  52.30818       6.093771  60.70473       6.069794  469.3303 27.72492 506.0591 25.58084 -36.72885      37.72334 
1 1 1 2   6  22 o 180.0856 43.84263 8.079143       3.679187  5.719382       6.400157  9.243846       4.496394  168.3949 61.74094 192.2971 49.43461 -23.90225      79.09313 
1 1 1 2   6  23 o 706.4186 16.95298 117.8058       5.633488  114.6042       7.978732  120.9884       7.955232  695.3845 24.39156 714.6502 23.66410 -19.26575      33.98438 
1 1 1 2   6  24 o 341.8129 24.07291 27.87355       3.845949  30.61279       5.528265  25.30438       5.353911  356.0604 33.39645 322.7666 35.86919 33.29379       49.00940 
1 1 1 2   6  25 o 378.3886 23.08246 34.16490       4.088910  33.77829       5.652792  34.58918       5.921763  373.6325 32.48576 377.7345 33.68023 -4.101990      46.79404 
1 1 1 2   6  26 o 637.4097 18.04465 96.34751       5.410487  97.01317       7.713960  95.70296       7.590698  636.9176 25.74689 632.7000 25.50437 4.217651       36.24052 
1 1 1 2   6  27 o 382.0967 23.03274 35.02317       4.120533  39.37192       6.015537  31.17910       5.655721  401.6157 32.11006 356.2505 34.16834 45.36523       46.88850 
1 1 1 2   6  28 o 129.1108 44.90097 3.928843       3.340119  2.353750       4.993371  5.204295       4.493377  128.4244 52.37495 147.1756 52.01396 -18.75119      73.81455 
1 1 1 2   6  29 o 211.8766 38.26807 11.50480       3.673711  11.36458       5.190237  11.64557       5.200601  203.8347 53.46640 206.4563 53.21365 -2.621613      75.43439 
1 1 1 2   6  30 o 149.1210 47.28601 5.839790       3.722851  4.252492       4.600181  8.852557       6.337653  137.5577 51.97101 179.1600 61.87572 -41.60228      80.80589 
1 1 1 2   6  31 o 114.8781 44.17105 2.680382       3.359897  4.785295       4.824179  0.6975223      4.682225  141.7595 53.29482 112.5574 48.55528 29.20209       72.09683 
1 1 1 2   6  32 o 89.17179 39.69860 -0.6006525     3.358106  -0.3928688     4.615509  -0.8343588     4.894960  104.7579 46.59529 105.3513 47.33913 -0.5934143     66.42375 
1 1 1 2   6  33 o 142.1721 47.68752 5.566579       3.760272  4.432224       6.096663  6.263045       4.777137  140.7382 57.68884 149.7214 53.55413 -8.983200      78.71497 
1 1 1 2   6  34 o 111.8457 46.15854 2.264440       3.936301  0.000000       0.000000  2.264440       3.936301  ?        ?        111.8457 46.15854 0.000000       46.15854 
1 1 1 2   6  35 o 238.2607 42.18063 16.15847       4.554523  16.90547       6.575737  15.46968       6.314348  221.5120 61.11585 212.1815 60.37789 9.330444       85.91063 
1 1 1 2   6  36 o 188.7868 46.19011 11.06411       4.068346  21.30202       6.339947  3.897146       5.304538  252.7048 54.90382 122.9641 52.33128 129.7408       75.84848 
1 1 1 2   8  0  o 1960.635 18.56888 905.2714       17.12584  968.6657       26.20279  857.9956       22.62777  2026.607 27.48582 1907.742 25.21464 118.8647       37.29945 
1 1 1 2   8  1  o 977.8459 10.56464 224.9871       4.859531  242.8660       7.356026  211.1424       6.473150  1015.723 15.39567 947.1097 14.52935 68.61334       21.16905 
1 1 1 2   8  2  f 2494.687 32.92785 1469.660       38.64104  0.000000       0.000000  1469.660       38.64104  ?        ?        2494.687 32.92785 0.000000       32.92785 
1 1 1 2   8  3  o 625.6252 12.03295 92.11030       3.541242  86.08800       5.862142  95.57076       4.443669  604.5039 20.61522 637.1776 14.82559 -32.67365      25.39262 
1 1 1 2   8  4  o 1448.315 17.04004 493.9362       11.60921  485.1368       20.21179  498.2685       14.18196  1433.610 29.97123 1454.246 20.73143 -20.63611      36.44265 
1 1 1 2   8  5  o 674.2412 10.78511 106.9767       3.420654  103.4205       4.255940  113.4661       5.749136  662.8389 13.64955 694.0984 17.60809 -31.25958      22.27903 
1 1 1 2   8  6  o 1267.893 13.52986 378.4370       8.069477  378.5953       11.41619  378.2788       11.40774  1267.591 19.14577 1267.061 19.13959 0.5291748      27.07184 
1 1 1 2   8  7  o 199.3082 16.82320 9.425101       1.562520  10.48249       2.271817  8.475883       2.152483  209.4764 23.45787 187.8556 24.97742 21.62074       34.26577 
1 1 1 2   8  8  o 1397.459 14.95523 460.0845       9.831085  476.8080       14.45142  445.6779       13.41308  1421.348 21.61428 1374.353 20.74727 46.99524       29.96041 
1 1 1 2   8  9  o 827.2452 11.80869 161.1490       4.595209  165.3356       6.659570  157.3440       6.348778  837.3967 16.90619 816.9532 16.52052 20.44354       23.63782 
1 1 1 2   8  10 o 298.4517 15.91184 21.05359       2.225837  22.06054       3.255423  20.16960       3.050206  304.7489 22.87580 291.3787 22.42598 13.37021       32.03477 
1 1 1 2   8  11 o 1280.074 14.83941 385.9833       8.935546  390.2943       12.83824  381.9326       12.44449  1286.184 21.21940 1272.411 20.79125 13.77356       29.70755 
1 1 1 2   8  12 o 1097.541 13.95868 283.6065       7.206667  283.4047       10.19606  283.8080       10.18748  1096.598 19.76586 1097.381 19.73513 -0.7833252     27.93143 
1 1 1 2   8  13 o 967.6103 13.67618 220.3855       6.224931  227.0340       9.009885  214.3134       8.610456  981.6961 19.51070 953.8226 19.19063 27.87347       27.36691 
1 1 1 2   8  14 o 1651.557 20.82217 642.6282       16.17666  645.0638       19.73067  637.6339       28.25399  1654.010 25.35913 1642.241 36.57411 11.76917       44.50563 
1 1 1 2   8  15 o 1645.054 20.52121 637.5575       15.88007  644.4709       27.44391  634.0776       19.47077  1651.266 35.33129 1639.862 25.24099 11.40405       43.42128 
1 1 1 2   8  16 o 182.4523 32.89107 8.104901       2.719062  5.065108       3.899290  10.98208       3.793557  148.7371 48.51101 212.0241 39.48878 -63.28708      62.55144 
1 1 1 2   8  17 o 770.4995 17.46432 139.8357       6.329848  145.9869       12.22616  137.5831       7.398622  785.7817 33.07644 764.0511 20.58539 21.73059       38.95907 
1 1 1 2   8  18 o 810.7792 17.18270 154.8607       6.553349  165.4386       8.554369  139.8335       10.19592  837.6118 21.71080 769.3977 28.17124 68.21411       35.56653 
1 1 1 2   8  19 o 386.0734 19.81823 35.23562       3.587056  37.08876       5.208820  33.56408       4.947026  395.1245 28.20981 375.7827 28.19128 19.34183       39.88160 
1 1 1 2   8  20 o 548.7386 16.99422 70.97445       4.386683  73.61285       6.301771  68.49413       6.110081  558.2509 23.99739 538.4800 24.12171 19.77081       34.02545 
1 1 1 2   8  21 o 569.6508 19.06796 76.57570       5.109544  79.22117       8.604925  75.13493       6.350274  576.8561 31.83425 563.7302 23.94704 13.12585       39.83567 
1 1 1 2   8  22 o 488.2581 18.36938 56.28862       4.219037  58.33578       6.141891  54.45953       5.805544  495.3417 26.45465 478.6667 25.87957 16.67502       37.00811 
1 1 1 2   8  23 o 598.5726 20.67891 84.79470       5.822557  92.80619       11.14332  81.78591       6.828939  620.4315 38.36967 587.0766 24.72801 33.35492       45.64764 
1 1 1 2   8  24 o 515.6010 21.32993 63.04544       5.173357  65.26756       6.581680  59.45304       8.368472  522.6913 26.85913 495.6783 36.13928 27.01303       45.02733 
1 1 1 2   8  25 o 353.1699 23.59200 29.83073       3.896832  28.00321       5.504423  31.66696       5.517505  338.7458 35.05070 361.1983 32.83196 -22.45251      48.02592 
1 1 1 2   8  26 o 548.9797 18.98169 71.58691       4.901856  68.26272       6.907548  74.95911       6.957262  532.4797 27.67266 559.1844 26.44929 -26.70477      38.27977 
1 1 1 2   8  27 o 203.7591 42.12623 10.66650       3.904365  20.51130       7.201434  6.567950       4.646548  276.7215 57.21292 160.9908 52.97754 115.7307       77.97396 
1 1 1 2   8  28 o 153.8649 44.33390 6.159729       3.384024  8.657280       4.917024  3.912195       4.664425  179.6799 53.89271 136.9416 52.18914 42.73828       75.02087 
1 1 1 2   8  29 o 373.4914 27.50626 34.06775       4.798599  29.81570       8.036017  36.42412       5.982249  333.3579 53.02179 382.8865 33.55278 -49.52866      62.74630 
1 1 1 2   8  30 f 148.4001 44.78566 5.811716       3.387951  5.204340       4.912048  6.362828       4.679015  146.5787 54.03651 155.7497 53.19048 -9.171082      75.82329 
1 1 1 2   8  31 o 221.5876 36.70003 12.67439       3.691551  13.00849       5.265778  12.35151       5.176646  215.3481 52.46509 209.6548 52.58254 5.693314       74.27994 
1 1 1 2   8  32 o 136.7511 53.04525 4.381546       4.878291  -2.266052      6.070479  16.50119       8.196633  109.9437 50.66429 224.9372 69.99935 -114.9935      86.41053 
1 1 1 2   8  33 o 195.9284 39.20345 10.36335       3.487046  12.19085       5.999167  9.430864       4.285307  197.2520 59.61092 180.4460 49.15275 16.80597       77.26225 
1 1 1 2   8  34 o 124.5880 44.18913 4.190036       3.245917  7.544590       5.595694  2.488851       3.984854  155.8486 57.63179 113.2963 46.56284 42.55235       74.09130 
1 1 1 2   8  35 o 160.2732 48.81218 8.011989       4.011139  7.119501       5.819254  8.819858       5.536516  147.7077 57.75757 160.6691 57.63424 -12.96141      81.59438 
1 1 1 2   10 0  f 245.7094 10.03779 14.20693       1.160190  14.80633       1.572738  13.49133       1.718440  250.4329 13.39901 238.8673 15.37523 11.56558       20.39439 
1 1 1 2   10 1  o 564.6690 9.274834 75.02667       2.463595  80.05351       3.972924  71.88617       3.140235  583.0969 14.48439 552.6411 12.07952 30.45581       18.86034 
1 1 1 2   10 2  o 1157.323 14.22342 315.3619       7.743331  320.7857       9.467010  304.3995       13.45915  1166.941 17.24625 1135.742 25.19234 31.19873       30.53010 
1 1 1 2   10 3  f 322.9883 9.689684 24.54970       1.472196  26.60523       3.950654  24.21823       1.586464  334.7745 25.27320 320.7851 10.51348 13.98947       27.37276 
1 1 1 2   10 4  o 1523.574 21.65642 547.5959       15.52099  505.3508       20.79131  600.7729       23.32685  1461.562 30.24094 1593.315 31.12325 -131.7531      43.39552 
1 1 1 2   10 5  o 1268.823 15.69625 379.3312       9.368417  374.8514       16.66023  381.4028       11.32931  1258.821 28.13506 1271.765 18.93771 -12.94434      33.91487 
1 1 1 2   10 6  o 545.2130 9.656408 69.96744       2.476573  73.77612       3.612217  66.58910       3.402031  559.6429 13.72125 531.6923 13.60219 27.95062       19.32077 
1 1 1 2   10 7  o 984.0163 11.87849 228.0076       5.498357  225.7852       7.729649  230.2839       7.822892  978.6413 16.79063 988.3377 16.82646 -9.696411      23.77088 
1 1 1 2   10 8  o 755.0969 12.41606 134.2611       4.410176  141.4388       7.377502  130.2699       5.501341  774.2703 20.25571 743.5274 15.72904 30.74286       25.64560 
1 1 1 2   10 9  o 713.0377 12.73252 119.7067       4.270671  127.1998       7.169278  115.5853       5.316978  734.3799 20.75321 700.4338 16.13721 33.94617       26.28888 
1 1 1 2   10 10 o 376.7507 15.02403 33.42258       2.662624  32.51733       3.503038  34.66112       4.097493  370.9006 20.15354 382.7041 22.86528 -11.80347      30.47928 
1 1 1 2   10 11 o 1833.894 21.42879 792.5330       18.48593  834.5395       24.19747  733.6505       28.64869  1880.740 27.35093 1761.763 34.56911 118.9768       44.08057 
1 1 1 2   10 12 o 620.4563 12.73835 90.59970       3.717865  94.05290       5.472941  87.64060       5.066286  631.9602 18.41034 610.0685 17.65394 21.89166       25.50691 
1 1 1 2   10 13 o 799.0568 13.33863 150.2724       5.013699  174.2724       7.872413  133.8953       6.503090  860.1855 19.45568 754.0401 18.33395 106.1454       26.73307 
1 1 1 2   10 14 o 1170.269 16.78609 322.4633       9.240692  337.0987       16.05219  315.2094       11.30104  1195.310 28.54858 1156.699 20.76962 38.61011       35.30437 
1 1 1 2   10 15 o 327.0152 23.55378 25.34071       3.598983  27.83967       4.321538  19.68490       6.501385  342.4580 27.04648 283.6463 50.58076 58.81177       57.35787 
1 1 1 2   10 16 o 814.6759 14.41309 156.2537       5.523459  165.7366       8.204283  148.3924       7.469957  838.5929 20.79793 793.5611 20.01098 45.03180       28.86163 
1 1 1 2   10 17 o 2289.148 26.65246 1237.118       28.69991  1274.560       36.58048  1177.170       46.28710  2321.019 33.50436 2225.734 44.20969 95.28540       55.47107 
1 1 1 2   10 18 o 899.7260 17.82360 190.7634       7.543537  211.7717       15.06584  183.7342       8.714624  945.6064 33.86988 882.6664 20.98857 62.94000       39.84581 
1 1 1 2   10 19 o 822.3835 15.38826 159.3381       5.952964  163.4787       8.664436  155.6359       8.192867  832.2527 22.13175 812.1300 21.44574 20.12268       30.81776 
1 1 1 2   10 20 o 1067.268 16.03391 268.5028       8.049747  266.7965       11.52895  270.1260       11.24451  1062.614 23.06454 1069.372 22.35332 -6.758179      32.11921 
1 1 1 2   10 21 o 704.4856 19.18155 117.1931       6.356605  121.2651       7.694725  108.4423       11.28007  716.0287 22.84512 673.4884 35.73296 42.54028       42.41160 
1 1 1 2   10 22 o 492.8497 18.27447 57.38882       4.236710  54.67014       6.112159  59.90312       5.877927  478.9682 27.24062 502.5687 24.86334 -23.60049      36.88139 
1 1 1 2   10 23 o 325.1465 26.19597 25.30956       3.972680  24.53867       5.139699  26.45363       6.261326  317.9579 34.93980 328.2822 41.47137 -10.32434      54.22789 
1 1 1 2   10 24 o 252.1158 34.16168 15.56551       3.947092  14.66706       7.819467  15.87271       4.572365  235.3432 67.26638 252.9480 39.73737 -17.60484      78.12698 
1 1 1 2   10 25 o 456.6686 19.77916 49.53143       4.248918  56.14438       6.520673  44.65176       5.601320  482.7586 28.84592 430.7162 27.79417 52.04245       40.05750 
1 1 1 2   10 26 o 117.9441 45.67170 2.461689       3.611552  -0.3439358     6.635645  3.642600       4.305038  129.5218 56.80692 133.7795 50.33568 -4.257751      75.89932 
1 1 1 2   10 27 o 159.7846 50.76841 6.576090       4.289745  7.781437       5.149701  3.843639       7.753579  172.5361 55.71032 157.0928 64.80195 15.44324       85.45719 
1 1 1 2   10 28 f 101.9405 42.03494 1.125605       3.260912  -4.044130      4.829517  5.457336       4.420794  93.22527 43.70327 148.5277 51.65633 -55.30246      67.66352 
1 1 1 2   10 29 o 246.0658 33.50444 15.18879       3.777308  18.27658       5.459330  12.35306       5.231772  263.8668 45.63445 212.4774 52.61979 51.38936       69.65160 
1 1 1 2   10 30 o 112.9742 43.95324 2.428238       3.357015  7.618266       5.117331  -1.492606      4.447833  167.1989 55.62443 98.72963 44.67234 68.46931       71.34210 
1 1 1 2   10 31 o 278.5842 29.47980 19.36713       3.804535  18.35546       5.538337  20.27111       5.235293  260.3137 46.95618 277.8090 41.31945 -17.49530      62.54742 
1 1 1 2   10 32 o 80.83675 37.55725 -2.258040      3.438597  -3.897146      5.719426  -1.330195      4.303150  100.2807 47.18528 96.04857 43.64923 4.232109       64.27835 
1 1 1 2   10 33 o 294.1160 28.51478 21.87686       3.895542  18.48989       6.544337  23.73553       4.847990  245.1689 57.70472 301.4650 34.82757 -56.29605      67.40026 
1 1 1 2   10 34 o 118.0201 47.08357 3.248842       3.937835  -1.765458      5.699064  7.829966       5.447339  103.9288 48.30758 156.6949 57.03439 -52.76604      74.74319 
1 1 1 2   10 35 o 149.1774 55.92017 7.485137       5.303628  0.000000       0.000000  7.485137       5.303628  ?        ?        149.1774 55.92017 0.000000       55.92017 
1 1 1 2   12 0  o 1295.265 13.44571 395.1548       8.192409  453.5860       13.36066  359.9489       10.37082  1386.443 20.48598 1235.558 17.84353 150.8845       27.16738 
1 1 1 2   12 1  o 1662.190 16.19641 651.1530       12.66394  679.2570       18.72079  627.4424       17.19532  1695.791 23.46835 1630.131 22.42428 65.66003       32.45939 
1 1 1 2   12 2  o 1162.338 12.25344 318.1297       6.699768  335.3199       9.913560  303.6778       9.089756  1192.588 17.67136 1135.023 17.02466 57.56531       24.53805 
1 1 1 2   12 3  o 1367.754 16.35982 440.8754       10.52581  475.3270       20.29495  428.1983       12.31101  1416.736 30.45298 1347.399 19.42353 69.33655       36.12004 
1 1 1 2   12 4  o 1045.703 18.28267 257.7934       8.993258  271.8788       13.19404  245.5708       12.29072  1072.580 26.15043 1019.463 25.62930 53.11743       36.61565 
1 1 1 2   12 5  o 1485.694 22.61251 520.8632       15.80329  516.6469       22.10933  525.2676       22.59709  1477.299 31.81544 1489.440 32.25227 -12.14099      45.30376 
1 1 1 2   12 6  o 812.0712 12.67869 155.2470       4.843260  147.7408       9.317578  158.0260       5.669345  791.1520 25.03651 819.1777 14.71246 -28.02576      29.03934 
1 1 1 2   12 7  o 1002.263 13.22763 236.4642       6.236389  239.6552       10.27660  234.6040       7.846350  1008.295 21.66669 998.0648 16.71243 10.23059       27.36331 
1 1 1 2   12 8  o 1371.008 14.71240 442.4904       9.488393  455.3093       13.81351  431.0393       13.05576  1390.071 21.12504 1352.585 20.51956 37.48608       29.45030 
1 1 1 2   12 9  o 944.6715 14.61493 210.0594       6.494519  207.8502       7.623854  215.9037       12.39989  939.5457 17.24993 956.7637 27.55141 -17.21808      32.50600 
1 1 1 2   12 10 o 836.0775 13.41650 164.5146       5.276610  164.5006       6.765275  164.5363       8.431304  835.8734 17.20583 835.7261 21.44675 0.1473389      27.49552 
1 1 1 2   12 11 o 666.8789 12.00660 104.6525       3.766484  107.3398       5.450728  102.1967       5.210608  675.2117 17.16111 658.8503 16.81250 16.36139       24.02423 
1 1 1 2   12 12 f 1263.827 17.54250 376.0913       10.42914  415.5767       20.79632  362.8245       12.05453  1326.612 33.32524 1241.073 20.64828 85.53870       39.20361 
1 1 1 2   12 13 o 717.3763 13.16759 121.1224       4.443473  136.4206       6.806905  109.7625       5.865663  761.0565 19.01356 682.6959 18.26503 78.36060       26.36526 
1 1 1 2   12 14 o 852.4794 13.75382 171.0625       5.515395  164.7075       7.739091  177.6214       7.862260  836.1445 19.67611 868.3358 19.24821 -32.19122      27.52532 
1 1 1 2   12 15 o 520.1958 15.12736 63.71463       3.701684  66.50584       5.476012  61.36594       5.023194  531.1550 21.91663 510.2678 20.92727 20.88724       30.30329 
1 1 1 2   12 16 o 937.0681 14.74135 206.7664       6.497972  207.6304       9.438873  205.9881       8.958939  938.4301 21.38203 934.8151 20.37331 3.614990       29.53410 
1 1 1 2   12 17 o 559.0955 19.17983 73.68490       5.044289  78.06184       7.464402  70.00595       6.843390  574.7766 27.60747 544.3899 26.72341 30.38666       38.42282 
1 1 1 2   12 18 o 709.1688 15.16055 118.4805       5.057477  127.3242       7.430326  110.8467       6.903411  734.5538 21.50379 685.3864 21.41208 49.16742       30.34617 
1 1 1 2   12 19 f 1042.202 15.57876 256.0040       7.637552  271.1748       11.32942  243.3661       10.34046  1071.433 22.47879 1015.169 21.65371 56.26489       31.21185 
1 1 1 2   12 20 o 784.4866 15.64655 145.1244       5.773954  150.2612       8.543047  140.8048       7.834141  797.0899 22.78432 771.8192 21.57777 25.27069       31.38033 
1 1 1 2   12 21 o 350.0150 20.99926 29.08380       3.441501  30.69308       5.064707  27.70337       4.690804  357.8401 30.37515 339.9987 29.62528 17.84146       42.43002 
1 1 1 2   12 22 o 183.9763 37.81071 8.426932       3.162859  5.041683       4.520851  11.67244       4.426558  149.9441 52.23261 215.5105 45.11199 -65.56633      69.01694 
1 1 1 2   12 23 o 439.4124 19.45404 45.74994       4.021160  49.08939       5.988574  43.00800       5.426446  452.4798 28.27731 423.6751 27.37423 28.80466       39.35676 
1 1 1 2   12 24 o 454.0800 19.27999 48.92124       4.118209  46.37310       6.010290  51.17629       5.654073  438.6918 29.29346 462.0525 26.12061 -23.36063      39.24784 
1 1 1 2   12 25 o 362.8704 22.64696 31.53486       3.846415  29.50063       5.631280  33.31397       5.266345  346.6299 35.01604 370.3633 30.49933 -23.73340      46.43633 
1 1 1 2   12 26 o 116.5442 47.52538 1.722466       4.110982  4.377309       4.946504  -4.206302      7.391986  143.5238 53.96469 120.5508 55.67688 22.97304       77.53775 
1 1 1 2   12 27 o 259.3501 30.48780 16.57095       3.648494  12.97821       5.282534  19.84804       5.045148  220.1663 51.86042 280.2078 39.36133 -60.04146      65.10620 
1 1 1 2   12 28 o 179.1288 44.17740 8.453965       3.699197  4.247117       4.724543  15.11891       5.946748  139.4661 52.67443 235.3376 54.74904 -95.87143      75.97403 
1 1 1 2   12 29 o 370.5032 23.94463 33.27936       4.150876  32.07943       5.993402  34.38548       5.754344  357.0375 36.18520 371.5898 33.27246 -14.55237      49.15715 
1 1 1 2   12 30 o 172.5853 43.87724 8.005477       3.569997  -0.5805026     5.038978  16.65830       5.058554  109.2753 48.64041 250.4182 44.57682 -141.1429      65.97713 
1 1 1 2   12 31 o 139.3317 46.66912 5.139329       3.601331  9.664091       6.723605  3.318943       4.264675  180.3957 63.63979 125.7076 49.36068 54.68806       80.53880 
1 1 1 2   12 32 o 209.0891 38.36610 11.65580       3.634473  9.218193       6.441590  12.79420       4.402089  173.3656 62.16916 214.7609 45.01434 -41.39529      76.75477 
1 1 1 2   12 33 o 105.9320 45.42355 1.257174       4.051292  5.344828       5.811749  -2.606718      5.650440  141.9384 56.99912 101.7708 47.56954 40.16765       74.24123 
1 1 1 2   12 34 o 106.2572 44.21738 2.058201       3.655464  -1.210761      5.300172  5.023782       5.048239  101.8977 47.09118 133.9736 53.35358 -32.07594      71.16309 
1 1 1 2   14 0  o 1707.021 19.28044 686.3738       15.48193  824.9109       32.46068  645.5804       17.61445  1867.689 36.94740 1655.055 22.62493 212.6332       43.32433 
1 1 1 2   14 1  o 930.2601 10.83060 203.6334       4.739429  219.5979       7.090058  190.7374       6.372366  965.7970 15.60611 900.1279 15.04968 65.66913       21.68048 
1 1 1 2   14 2  o 621.9646 9.051126 91.01385       2.648119  104.5514       3.962572  80.08883       3.559745  666.5179 12.63851 583.3454 12.97250 83.17249       18.11126 
1 1 1 2   14 3  o 980.7958 15.75775 226.4616       7.270130  239.3876       12.04549  219.0547       9.118204  1007.660 25.41214 964.3459 20.10051 43.31372       32.40073 
1 1 1 2   14 4  f 658.7149 17.13630 102.1610       5.309870  104.2212       7.611786  100.2081       7.410827  664.9732 24.33398 652.0547 24.16092 12.91852       34.29129 
1 1 1 2   14 5  o 414.4706 20.39745 40.46085       3.976847  37.78241       5.484525  43.43044       5.774929  399.1405 29.41818 428.1503 28.84151 -29.00983      41.19784 
1 1 1 2   14 6  o 811.4465 18.42410 155.0382       7.032593  152.3187       9.815187  157.9073       10.08133  803.8614 25.95662 818.4595 26.18493 -14.59814      36.87000 
1 1 1 2   14 7  o 1128.701 15.22123 299.8603       8.081613  276.3080       14.30173  310.9089       9.795460  1082.505 28.08597 1149.129 18.12119 -66.62463      33.42453 
1 1 1 2   14 8  o 1232.695 13.62696 357.6094       7.901759  366.5243       11.45216  349.5089       10.91661  1247.575 19.51423 1218.307 19.04854 29.26758       27.26999 
1 1 1 2   14 9  o 1219.331 13.75512 349.9069       7.889603  355.9458       11.36474  344.2891       10.96135  1229.409 19.65141 1209.140 19.27162 20.26880       27.52405 
1 1 1 2   14 10 o 648.7430 14.36303 99.05949       4.383168  102.2932       5.163968  90.72533       8.290206  659.1654 16.65405 620.2059 28.41582 38.95953       32.93654 
1 1 1 2   14 11 o 602.5042 12.03161 85.42662       3.409990  87.94440       4.950548  83.15356       4.703815  611.1460 17.22023 594.2814 16.82630 16.86462       24.07615 
1 1 1 2   14 12 o 390.3294 14.22090 35.86368       2.611125  39.08543       3.890332  33.22251       3.522399  407.3127 20.30436 374.9987 20.04079 32.31409       28.52894 
1 1 1 2   14 13 o 745.5867 17.92280 130.9331       6.285984  0.000000       0.000000  130.9331       6.285984  ?        ?        745.5867 17.92280 0.000000       17.92280 
1 1 1 2   14 14 o 119.1721 37.15804 3.335588       2.308420  7.132138       3.445103  0.2421164      3.109787  170.1045 43.02473 96.01765 40.42563 74.08681       59.03693 
1 1 1 2   14 15 o 724.6575 13.87840 123.6417       4.730874  127.7386       6.907782  120.0226       6.492449  736.1502 19.94816 713.6172 19.34078 22.53302       27.78479 
1 1 1 2   14 16 o 688.7440 17.54830 111.7886       5.685414  110.8284       6.520570  114.8335       11.61121  685.5618 20.21947 695.0697 35.63217 -9.507935      40.96924 
1 1 1 2   14 17 o 390.2225 17.71713 35.89849       3.252183  35.90477       4.755779  35.89297       4.457283  388.8587 26.15126 389.0219 24.48205 -0.1631775     35.82261 
1 1 1 2   14 18 o 86.02084 36.84655 -0.1110739     2.660715  1.039804       3.902501  -1.110757      3.637137  112.2358 46.09752 94.21948 41.66090 18.01634       62.13382 
1 1 1 2   14 19 o 650.7294 21.56740 100.1040       6.601879  0.000000       0.000000  100.1040       6.601879  ?        ?        650.7294 21.56740 0.000000       21.56740 
1 1 1 2   14 20 f 184.0988 35.81443 8.373817       2.989905  4.943823       4.259110  11.70653       4.198274  148.0284 50.74673 216.9328 42.66142 -68.90437      66.29651 
1 1 1 2   14 21 o 326.0860 26.99475 25.46838       4.103530  18.01427       8.075733  28.06291       4.764457  262.9251 65.52908 341.7190 29.94179 -78.79385      72.04562 
1 1 1 2   14 22 o 811.0597 16.27543 155.5074       6.209472  160.5458       9.148818  151.2040       8.455179  821.7771 23.66691 797.9097 22.52681 23.86737       32.67384 
1 1 1 2   14 23 o 454.9624 18.79531 49.07834       4.022485  47.74433       5.870425  50.25903       5.522783  445.6841 28.14554 458.1096 25.73248 -12.42548      38.13570 
1 1 1 2   14 24 o 436.8991 22.16638 45.60432       4.540675  46.13556       7.669613  45.31764       5.634202  433.0256 38.03777 433.6144 27.76816 -0.5888062     47.09504 
1 1 1 2   14 25 o 313.4517 41.66311 24.71165       5.990967  0.000000       0.000000  24.71165       5.990967  ?        ?        313.4517 41.66311 0.000000       41.66311 
1 1 1 2   14 26 o 267.6015 27.19095 17.44380       3.375261  17.51248       5.033562  17.38768       4.549708  262.0567 42.27133 263.0673 37.85639 -1.010651      56.74479 
1 1 1 2   14 27 o 431.1382 20.53658 44.43549       4.164990  42.69664       5.863378  46.20651       5.917365  417.8440 30.03106 435.2713 29.06722 -17.42737      41.79435 
1 1 1 2   14 28 o 267.8095 28.66880 17.64755       3.555541  18.41602       5.259524  17.00079       4.825104  266.4712 43.45719 256.9601 41.31847 9.511078       59.96452 
1 1 1 2   14 29 o 101.5441 41.27789 1.415008       3.088857  1.033472       4.556412  1.739455       4.201721  114.0329 48.51487 115.3296 47.65031 -1.296722      68.00179 
1 1 1 2   14 30 o 88.91581 39.49450 -0.5941603     3.304952  -4.560048      5.625686  1.495920       4.084010  98.43744 46.46259 111.5108 46.59851 -13.07339      65.80421 
1 1 1 2   14 31 o 163.1143 48.27216 7.480747       3.964558  0.000000       0.000000  7.480747       3.964558  ?        ?        163.1143 48.27216 0.000000       48.27216 
1 1 1 2   14 32 o 129.5839 42.98140 4.542671       3.056274  3.403686       5.278966  5.116927       3.748370  129.1379 53.38742 136.6347 47.56319 -7.496735      71.50156 
1 1 1 2   14 33 o 173.2220 45.36774 8.771194       3.740661  12.02438       5.438407  5.850179       5.153288  193.3291 56.34681 142.1435 54.69155 51.18552       78.52470 
1 1 1 2   16 0  o 446.3451 11.89170 46.87738       2.496801  46.49228       4.574035  47.04083       2.979926  444.2853 21.88610 447.0832 14.16928 -2.797913      26.07239 
1 1 1 2   16 1  o 515.7279 9.446138 62.57425       2.291629  64.91446       3.160568  59.98018       3.327583  525.2253 12.79235 504.8445 14.01206 20.38074       18.97319 
1 1 1 2   16 2  o 1043.376 13.12633 256.1789       6.442482  270.1211       8.364906  235.8502       10.10068  1071.227 16.60008 1000.693 21.45755 70.53363       27.12912 
1 1 1 2   16 3  o 1187.943 15.05804 332.1439       8.414597  334.6430       10.07952  326.3972       15.28477  1192.232 17.97256 1176.676 27.61421 15.55566       32.94780 
1 1 1 2   16 4  o 1084.049 19.34878 276.7148       9.866696  295.2438       14.53503  260.8799       13.43682  1119.094 27.61086 1051.994 27.15276 67.10034       38.72509 
1 1 1 2   16 5  o 649.3776 18.68215 99.29053       5.706810  110.5529       8.356442  89.44710       7.812304  684.8713 25.93840 615.9853 26.96122 68.88605       37.41267 
1 1 1 2   16 6  o 954.0688 20.11001 214.3712       9.025294  223.9893       13.63286  206.8668       12.04204  974.4815 29.74022 936.7026 27.32934 37.77887       40.39027 
1 1 1 2   16 7  o 1756.490 26.36020 727.3567       21.78029  723.8407       30.58335  730.9751       31.02536  1750.223 37.14688 1758.749 37.50107 -8.526245      52.78467 
1 1 1 2   16 8  o 927.1587 20.18428 202.4763       8.803122  207.0749       12.60472  198.0975       12.29987  936.9478 28.59884 916.4189 28.53232 20.52887       40.39786 
1 1 1 2   16 9  o 666.9689 10.27165 104.6701       3.222665  109.4185       4.808135  100.7970       4.342436  681.7770 14.99219 654.3979 14.10660 27.37915       20.58547 
1 1 1 2   16 10 o 173.4585 19.60807 7.177901       1.571833  7.517990       2.374467  6.912624       2.097099  176.0787 29.72593 169.0569 27.30069 7.021851       40.36036 
1 1 1 2   16 11 f 887.8227 15.28667 185.5811       6.384227  192.6276       7.608567  168.8169       11.73567  904.3513 17.88531 845.6027 29.50342 58.74860       34.50125 
1 1 1 2   16 12 o 284.0070 17.90892 19.07551       2.380335  22.32759       3.894290  17.13580       3.007571  306.3587 27.30905 268.4779 24.06991 37.88080       36.40253 
1 1 1 2   16 13 o 525.7457 13.06471 65.07059       3.231057  68.55025       4.740050  62.05048       4.415956  539.3644 18.68234 513.1766 18.29315 26.18774       26.14707 
1 1 1 2   16 14 f 594.8056 16.52099 83.34942       4.622537  79.04282       9.313851  84.75693       5.324604  576.6387 34.49480 599.6566 18.87624 -23.01782      39.32180 
1 1 1 2   16 15 o 825.7802 19.64953 160.8184       7.632838  202.6160       14.35774  144.3520       9.011786  924.6422 33.00981 781.7799 24.50513 142.8622       41.11142 
1 1 1 2   16 16 o 668.7643 13.96141 105.3616       4.392093  109.4577       6.353775  101.6132       6.078106  681.0844 19.83177 656.2404 19.68956 24.84399       27.94598 
1 1 1 2   16 17 o 520.8315 19.00736 64.02911       4.656807  60.51145       5.314879  75.65399       9.661860  505.9815 22.33004 562.2697 36.73160 -56.28821      42.98652 
1 1 1 2   16 18 o 545.4266 16.97944 70.20724       4.356413  61.02854       6.726879  76.83759       5.717305  506.2244 28.36306 570.0454 21.32125 -63.82104      35.48322 
1 1 1 2   16 19 o 200.3866 30.51280 9.776356       2.785393  5.858681       3.984487  13.52063       3.895308  155.6627 48.86441 234.9879 36.41764 -79.32518      60.94239 
1 1 1 2   16 20 o 249.6292 31.72261 15.12550       3.640941  12.79727       7.485877  15.84692       4.167027  222.9309 66.41344 254.5676 35.78618 -31.63663      75.44135 
1 1 1 2   16 21 o 246.2453 28.55939 14.67183       3.246735  13.15385       4.254090  16.78954       5.024670  229.6620 40.87573 259.5970 42.62702 -29.93504      59.05835 
1 1 1 2   16 22 o 423.6369 18.84946 42.55328       3.756315  40.99605       5.395482  44.01798       5.232719  412.9385 27.94080 428.5396 26.08185 -15.60110      38.22240 
1 1 1 2   16 23 o 318.2305 28.48729 24.51125       4.219324  27.50763       5.002222  17.12247       7.855092  336.0502 32.03161 251.1973 65.72016 84.85284       73.11063 
1 1 1 2   16 24 o 418.0945 21.28823 41.77724       4.172959  35.79073       6.720170  45.53428       5.323724  380.2406 38.08295 434.8117 26.14986 -54.57111      46.19660 
1 1 1 2   16 25 o 97.23251 39.92323 0.9789362      2.926006  3.998304       4.288533  -1.650806      4.002278  136.1884 50.43506 94.13677 42.50480 42.05161       65.95721 
1 1 1 2   16 26 o 380.1490 24.96744 34.90411       4.439927  26.23365       8.356774  38.31414       5.240795  311.0109 59.28490 396.9304 28.25257 -85.91946      65.67272 
1 1 1 2   16 27 o 70.25047 33.13477 -2.909958      2.851831  -2.148784      4.240058  -3.538754      3.853757  93.99846 42.95296 82.59924 38.82325 11.39922       57.89820 
1 1 1 2   16 28 o 114.6427 42.00350 2.889525       2.961462  0.6951703      4.284535  4.896939       4.097970  109.5905 46.84493 140.9492 49.68783 -31.35874      68.28857 
1 1 1 2   16 29 o 114.3787 45.26275 2.377231       3.612071  0.6398214      4.307627  6.492271       6.629397  108.5647 46.70330 161.1282 62.02186 -52.56346      77.63961 
1 1 1 2   16 30 o 117.9150 42.83597 3.295288       3.070609  8.923901       5.184259  0.2536535      3.811005  175.6383 55.81178 99.88136 43.44466 75.75697       70.72759 
1 1 1 2   16 31 o 184.1345 35.99640 8.978787       3.006161  5.912604       4.796994  10.96167       3.857613  146.6483 53.49965 199.9786 42.32741 -53.33026      68.21893 
1 1 1 2   16 32 o 226.7393 39.15477 13.99474       4.025217  17.22652       6.189371  11.62604       5.298846  235.3053 56.60670 192.7969 55.45485 42.50838       79.24366 
1 1 1 2   18 0  o 1182.272 12.92368 328.9422       7.187420  365.8639       11.14437  302.6479       9.404720  1246.450 19.00690 1133.759 17.63420 112.6907       25.92735 
1 1 1 2   18 1  o 294.4407 11.73655 20.40036       1.625577  22.53465       2.164644  17.64003       2.461730  309.4161 14.87217 273.0090 19.29299 36.40714       24.35982 
1 1 1 2   18 2  o 1061.557 11.94756 265.1786       5.966121  289.4814       8.968110  245.8834       7.990924  1108.846 17.19335 1021.974 16.62218 86.87201       23.91460 
1 1 1 2   18 3  o 449.2405 8.594510 47.47980       1.816224  52.28248       2.506171  42.16751       2.635785  471.3698 11.30263 423.2888 13.23743 48.08099       17.40630 
1 1 1 2   18 4  o 1973.097 28.18384 918.2609       26.15881  972.3544       39.35512  875.4460       35.01273  2027.104 41.27203 1924.146 38.68287 102.9583       56.56629 
1 1 1 2   18 5  f 1058.861 28.17581 264.4768       14.03410  0.000000       0.000000  264.4768       14.03410  ?        ?        1058.861 28.17581 0.000000       28.17581 
1 1 1 2   18 6  o 1759.613 26.42412 730.1917       21.87193  752.9727       31.85340  709.8693       30.08541  1784.318 37.95023 1732.751 36.91054 51.56616       52.93966 
1 1 1 2   18 7  o 1360.059 22.90045 435.9868       14.65112  457.1938       21.61271  417.9548       19.92916  1391.157 33.02658 1330.324 31.84654 60.83276       45.87981 
1 1 1 2   18 8  o 1338.085 32.34026 423.0084       20.35619  423.0084       20.35619  0.000000       0.000000  1338.085 32.34026 ?        ?        0.000000       32.34026 
1 1 1 2   18 9  f 942.6339 21.05583 209.4167       9.336515  197.2949       12.63063  224.0190       13.86289  914.0649 29.37505 973.8879 30.26045 -59.82306      42.17331 
1 1 1 2   18 10 o 671.9446 10.01877 106.2489       3.166776  121.0326       5.034143  96.56770       4.073773  716.9512 14.92680 640.4684 13.52165 76.48279       20.14061 
1 1 1 2   18 11 o 676.2648 10.98768 107.6373       3.495361  108.3705       5.161944  107.0164       4.750074  678.3002 16.17790 674.1187 14.97941 4.181519       22.04784 
1 1 1 2   18 12 f 1273.973 17.78460 382.4814       10.65795  384.2549       12.64114  378.1213       19.82022  1276.422 21.05342 1263.584 33.34531 12.83728       39.43547 
1 1 1 2   18 13 o 728.7417 12.34139 125.0418       4.230649  126.7363       6.202139  123.5672       5.785636  733.2191 17.98202 724.0831 16.98609 9.135925       24.73621 
1 1 1 2   18 14 o 104.1574 36.13299 2.319559       2.162363  1.944763       3.166301  2.647146       2.960181  111.0495 42.83014 115.8743 42.06416 -4.824821      60.03178 
1 1 1 2   18 15 o 327.4933 20.68696 25.42876       3.170522  28.45125       7.448544  24.75996       3.503786  341.0164 47.74171 322.8002 23.22993 18.21628       53.09332 
1 1 1 2   18 16 f 457.9228 15.01743 49.44421       3.234872  47.91556       4.524739  51.04244       4.626561  450.2101 21.36530 464.6898 21.16537 -14.47971      30.07406 
1 1 1 2   18 17 o 679.9138 14.08686 109.0089       4.505443  99.24870       6.108651  120.6517       6.671851  647.9118 20.04288 714.4000 19.85343 -66.48816      28.21127 
1 1 1 2   18 18 o 378.1110 21.12718 33.95519       3.742739  31.95313       4.161889  42.41974       8.557653  366.1787 24.29976 416.4244 44.37005 -50.24573      50.58834 
1 1 1 2   18 19 o 275.7733 21.74483 18.14361       2.797948  13.86605       3.823319  23.07596       4.105529  237.8459 35.23857 309.7929 28.49201 -71.94702      45.31613 
1 1 1 2   18 20 o 65.49595 31.33480 -3.684401      2.735735  -2.646506      3.577725  -5.145661      4.245159  84.08789 38.80060 83.14963 39.57299 0.9382629      55.42119 
1 1 1 2   18 21 o 564.6838 19.62711 75.66784       5.213521  65.93342       10.10294  79.20094       6.086547  517.5700 41.85453 576.9366 22.42712 -59.36664      47.48450 
1 1 1 2   18 22 o 489.2382 17.24416 56.73503       3.968549  60.18246       5.826388  53.75137       5.420336  501.8527 24.68050 473.7691 24.40440 28.08365       34.70881 
1 1 1 2   18 23 f 408.4467 19.27243 39.66136       3.702893  37.48893       5.225470  41.85254       5.247964  393.7023 28.40630 416.6599 26.91959 -22.95752      39.13543 
1 1 1 2   18 24 o 202.9057 39.32584 10.45670       3.618016  11.34247       4.173832  7.779430       7.256375  209.9519 43.68381 179.4405 65.74872 30.51140       78.93775 
1 1 1 2   18 25 o 95.61770 39.37818 0.9101502      2.857285  3.575239       4.196055  -1.394039      3.901615  131.6603 49.66159 94.01757 42.25340 37.64275       65.20448 
1 1 1 2   18 26 o 272.5516 27.86123 18.17228       3.521837  16.13446       4.579956  21.12069       5.508998  251.5953 40.03990 287.5145 41.96948 -35.91920      58.00544 
1 1 1 2   18 27 o 77.27927 36.44225 -3.367507      3.446207  -10.52913      6.655462  -0.7439110     4.028291  93.79582 45.81176 98.32011 43.64052 -4.524292      63.27094 
1 1 1 2   18 28 o 207.0164 31.63542 10.80237       2.982891  8.100629       4.176764  13.61471       4.261398  172.2278 49.13965 228.0845 41.23576 -55.85670      64.14899 
1 1 1 2   18 29 o 92.51237 39.27182 0.5779566      2.973832  -2.314209      4.525871  2.775357       3.944984  94.83730 43.71846 119.5165 47.30053 -24.67924      64.40997 
1 1 1 2   18 30 o 144.5678 42.04149 5.705192       3.030542  6.067183       4.684610  5.444672       3.974154  148.5826 53.04504 141.7346 48.99529 6.848068       72.21021 
1 1 1 2   18 31 o 106.7703 43.55424 2.018276       3.454124  0.4250892      4.995274  3.478003       4.781474  109.7506 48.66113 126.3677 51.36154 -16.61712      70.75247 
1 1 1 2   20 0  o 1106.145 12.48849 287.9727       6.498172  310.1745       9.714656  269.9951       8.741754  1147.585 17.99589 1070.731 17.35596 76.85352       25.00163 
1 1 1 2   20 1  o 618.6381 23.14146 90.21999       6.734366  90.21999       6.734366  0.000000       0.000000  618.6381 23.14146 ?        ?        0.000000       23.14146 
1 1 1 2   20 2  o 1936.295 22.04521 883.6746       20.07960  1010.702       40.73717  842.9081       23.07781  2065.142 41.93452 1890.341 25.95286 174.8009       49.31587 
1 1 1 2   20 3  o 1238.060 13.25292 360.7934       7.718312  378.7980       11.33630  345.2352       10.53804  1268.057 19.00480 1210.627 18.50462 57.42993       26.52553 
1 1 1 2   20 4  o 317.9665 27.20087 24.03238       4.029333  24.21522       5.746424  23.85553       5.651439  317.3808 39.33265 315.0447 38.96527 2.336090       55.36560 
1 1 1 2   20 5  f 827.4573 19.31630 161.3232       7.518631  160.6421       10.61250  162.0095       10.65352  824.9789 27.34673 828.4838 27.33631 -3.504822      38.66675 
1 1 1 2   20 6  o 1086.568 20.82988 278.2877       10.64665  292.3900       15.68222  266.2307       14.50041  1112.473 29.96739 1061.687 29.03449 50.78540       41.72584 
1 1 1 2   20 7  f 1541.779 34.93591 562.7230       25.33749  562.7230       25.33749  0.000000       0.000000  1541.779 34.93591 ?        ?        0.000000       34.93591 
1 1 1 2   20 8  o 1390.809 23.74710 456.4372       15.53629  495.2438       23.55963  426.5755       20.66676  1446.093 34.63402 1342.593 32.72341 103.5000       47.64805 
1 1 1 2   20 9  f 107.4601 45.54022 0.1651726      3.988181  -1.117420      5.365629  1.748514       5.961610  117.0465 51.21506 139.5884 57.11211 -22.54191      76.71229 
1 1 1 2   20 10 o 555.4881 23.30470 72.85146       6.089585  74.25684       8.591847  71.43282       8.632242  558.8370 32.82793 547.9196 33.65460 10.91736       47.01388 
1 1 1 2   20 11 o 767.7556 13.48787 138.8365       4.871197  129.0725       10.94602  141.2477       5.439513  737.9259 31.53366 774.2693 14.93477 -36.34338      34.89153 
1 1 1 2   20 12 o 345.7477 10.20365 28.14207       1.659527  26.98981       2.730650  28.81690       2.089727  337.8715 17.23821 349.7805 12.70061 -11.90903      21.41171 
1 1 1 2   20 13 o 561.1514 14.89896 74.22659       3.932831  74.12437       4.334444  74.70274       9.355214  560.6306 16.43566 558.9172 35.77018 1.713379       39.36543 
1 1 1 2   20 14 o 686.6826 12.13894 111.0892       3.921083  116.9805       5.920335  106.4856       5.233470  703.9736 17.87807 671.8243 16.56017 32.14923       24.36934 
1 1 1 2   20 15 o 217.8244 26.62277 11.42347       2.671130  0.000000       0.000000  11.42347       2.671130  ?        ?        217.8244 26.62277 0.000000       26.62277 
1 1 1 2   20 16 o 732.3441 16.05704 126.6160       5.531591  124.8216       11.63873  127.1396       6.287058  722.3807 34.25077 733.4640 18.22214 -11.08331      38.79641 
1 1 1 2   20 17 o 205.4984 26.81407 10.21346       2.530254  14.94649       4.072598  7.237990       3.229083  247.0202 36.11542 169.8054 40.91006 77.21481       54.57065 
1 1 1 2   20 18 o 320.4583 18.22506 24.38087       2.735971  20.78585       3.801144  28.24559       3.941149  293.9010 27.82570 343.7666 24.53301 -49.86566      37.09634 
1 1 1 2   20 19 o 410.1823 20.89217 40.03826       4.017811  40.71189       4.552137  37.66350       8.546976  412.9874 23.52940 388.4175 47.78614 24.56992       53.26488 
1 1 1 2   20 20 o 465.9098 15.61919 51.34906       3.423178  49.14873       4.884373  53.47311       4.798968  453.7571 22.95784 474.2341 21.51225 -20.47702      31.46171 
1 1 1 2   20 21 o 303.5086 20.40203 21.99457       2.895898  22.27406       4.047528  21.70145       4.145049  303.2543 28.71559 298.9430 29.87633 4.311279       41.43888 
1 1 1 2   20 22 o 408.7993 21.47196 39.91803       4.114602  29.62545       7.846327  43.82199       4.832334  340.0525 50.59259 427.5302 24.12674 -87.47775      56.05096 
1 1 1 2   20 23 o 564.8835 16.29122 75.66029       4.328944  66.88580       5.920553  85.73996       6.345631  528.7084 23.80547 599.1442 22.51511 -70.43585      32.76630 
1 1 1 2   20 24 o 127.7274 40.59586 4.027730       2.742718  3.852912       3.932167  4.193367       3.827527  132.4498 48.41964 134.9909 47.97369 -2.541077      68.16111 
1 1 1 2   20 25 o 259.5907 36.36121 16.91830       4.318311  16.91830       4.318311  0.000000       0.000000  259.5907 36.36121 ?        ?        0.000000       36.36121 
1 1 1 2   20 26 o 241.0461 36.23162 14.70716       3.981164  14.70716       3.981164  0.000000       0.000000  241.0461 36.23162 ?        ?        0.000000       36.23162 
1 1 1 2   20 27 o 126.6924 39.31113 4.107028       2.587238  -0.2893835     3.613994  8.728988       3.705539  95.38881 41.87770 180.7506 43.99619 -85.36183      60.74049 
1 1 1 2   20 28 o 82.49539 36.26532 -0.3137423     2.718146  3.775268       4.367042  -2.899685      3.472863  130.5849 50.31801 78.95116 37.02712 51.63371       62.47327 
1 1 1 2   20 29 o 277.8757 25.20465 19.09029       3.258737  14.98217       5.034753  22.05211       4.274992  231.9377 47.73783 295.0823 31.27471 -63.14468      57.07020 
1 1 1 2   20 30 o 131.8690 44.72093 4.718786       3.307339  7.378121       4.891528  2.479192       4.488929  157.9602 54.37092 118.3597 49.10537 39.60054       73.26346 
1 1 1 2   22 0  o 1585.841 16.09484 592.4367       12.00647  607.5418       17.27508  578.3222       16.69901  1604.641 22.88615 1565.624 22.67430 39.01697       32.21645 
1 1 1 2   22 1  o 955.5865 11.67852 214.9517       5.249613  221.5936       7.396088  208.2083       7.452379  969.8638 16.21145 940.0546 16.85282 29.80914       23.38437 
1 1 1 2   22 2  o 745.0606 10.38641 130.6512       3.640210  131.3772       4.953850  129.7992       5.367005  746.9166 14.09943 742.3312 15.36969 4.585449       20.85716 
1 1 1 2   22 3  o 700.6947 9.811042 115.5484       3.233801  115.3734       4.382665  115.7576       4.791157  699.9830 13.31011 701.0715 14.52810 -1.088440      19.70341 
1 1 1 2   22 4  o 969.2305 27.87837 222.0868       12.71053  0.000000       0.000000  222.0868       12.71053  ?        ?        969.2305 27.87837 0.000000       27.87837 
1 1 1 2   22 5  o 769.5430 29.05503 140.1011       10.51777  0.000000       0.000000  140.1011       10.51777  ?        ?        769.5430 29.05503 0.000000       29.05503 
1 1 1 2   22 6  o 137.0454 54.77631 2.329370       5.339779  2.329370       5.339779  0.000000       0.000000  137.0454 54.77631 ?        ?        0.000000       54.77631 
1 1 1 2   22 7  o 568.6970 22.14440 76.36011       5.923987  87.75269       8.576002  65.96314       8.192703  608.6808 29.95201 526.2795 33.26457 82.40137       44.76220 
1 1 1 2   22 8  o 862.9319 21.19298 175.8064       8.602762  181.5399       12.36179  170.4221       11.97950  875.2279 30.02555 848.0034 30.03114 27.22449       42.46649 
1 1 1 2   22 9  o 697.6138 21.66454 114.9561       7.109415  129.3995       10.47390  102.6159       9.681278  738.6650 30.14336 657.5801 31.29786 81.08484       43.45317 
1 1 1 2   22 10 o 158.9667 60.72892 4.432224       6.325365  0.000000       0.000000  4.432224       6.325365  ?        ?        158.9667 60.72892 0.000000       60.72892 
1 1 1 2   22 11 o 727.2113 22.26929 125.0558       7.617920  119.9465       10.32757  131.1534       11.28237  710.4337 30.90332 742.5275 32.30120 -32.09375      44.70327 
1 1 1 2   22 12 o 435.8607 26.92318 45.23822       5.493028  47.65161       7.579474  42.56837       7.972012  445.1374 36.51895 419.3557 40.93451 25.78174       54.85679 
1 1 1 2   22 13 o 341.9079 9.359333 27.52718       1.505301  31.80086       2.467555  24.99406       1.899738  367.2086 14.28515 325.6539 12.40133 41.55475       18.91714 
1 1 1 2   22 14 o 136.6381 17.36006 4.480628       1.090630  5.671524       2.129234  4.057042       1.269864  151.5559 30.91370 129.1735 21.66562 22.38239       37.74992 
1 1 1 2   22 15 o 332.3652 12.25523 26.04566       1.916048  25.30984       3.134210  26.48476       2.421169  326.2851 20.52488 334.9205 15.36788 -8.635406      25.64064 
1 1 1 2   22 16 f 252.0368 16.92798 15.08489       1.995311  17.72890       3.697589  13.99867       2.369993  270.8963 29.49314 242.1039 21.01877 28.79248       36.21649 
1 1 1 2   22 17 o 73.45464 32.59115 -0.7297739     2.244578  1.160523       6.585708  -0.9782143     2.387528  138.8408 58.66200 74.25230 33.23412 64.58853       67.42208 
1 1 1 2   22 18 o 141.8821 32.83356 5.032807       2.147947  1.551107       3.256381  7.714367       2.857809  107.1955 42.80014 175.6781 35.79671 -68.48262      55.79657 
1 1 1 2   22 19 o 326.7371 17.19431 25.35223       2.633429  22.60700       3.913580  27.62375       3.559949  306.1641 27.46591 340.0003 22.38364 -33.83615      35.43167 
1 1 1 2   22 20 o 193.7858 36.17830 9.390905       3.176624  8.908402       3.499886  11.64685       7.567771  187.3592 40.86183 210.2805 67.49707 -22.92126      78.90211 
1 1 1 2   22 21 o 323.3751 18.42757 24.90260       2.791528  23.07789       4.060755  26.53755       3.843807  308.6651 28.28172 332.2401 24.77270 -23.57504      37.59710 
1 1 1 2   22 22 o 289.4594 22.58952 20.12599       3.051488  17.49406       4.575461  22.23446       4.095268  264.7552 37.81268 302.3114 29.15943 -37.55615      47.75009 
1 1 1 2   22 23 o 427.9193 21.69833 43.85961       4.353459  34.86921       8.568570  46.98791       5.054440  366.6812 51.06226 441.9102 24.40938 -75.22900      56.59657 
1 1 1 2   22 24 o 349.8875 19.25527 29.28464       3.156986  25.63542       4.429394  33.05241       4.500766  323.6512 29.41479 369.2689 26.07808 -45.61768      39.31025 
1 1 1 2   22 25 o 263.3119 22.66226 16.78524       2.779656  16.64919       4.056965  16.90561       3.816134  257.6355 34.32983 260.7784 31.76505 -3.142914      46.77131 
1 1 1 2   22 26 o 413.8141 17.56298 40.89935       3.418793  39.80427       4.811810  42.01571       4.858334  404.1535 25.43987 415.5286 24.97109 -11.37512      35.64748 
1 1 1 2   22 27 o 228.7852 28.24510 13.04614       2.975234  6.085018       4.461689  18.62027       3.992527  150.9970 51.92978 271.9592 31.80962 -120.9622      60.89790 
1 1 1 2   22 28 o 104.5219 39.75018 2.299297       2.702344  -2.567777      4.209639  5.710819       3.524399  89.38136 41.53647 144.6496 46.02334 -55.26824      61.99537 
1 1 1 2   24 0  o 708.8221 12.44710 118.3358       4.150253  123.4485       5.149438  108.8585       7.010956  723.7335 15.12557 678.8535 21.95492 44.87994       26.66086 
1 1 1 2   24 1  o 878.7814 11.34165 181.8456       4.688420  202.7173       7.035986  165.1769       6.287776  927.2964 16.13010 837.0625 15.96871 90.23389       22.69757 
1 1 1 2   24 2  o 1104.261 12.57514 287.2148       6.532116  308.8424       9.688591  269.1911       8.844606  1144.221 18.00037 1068.316 17.59986 75.90479       25.17476 
1 1 1 2   24 3  o 831.6123 11.70408 162.8669       4.578546  173.4245       7.365362  156.2178       5.845130  857.3624 18.26251 814.0977 15.26330 43.26471       23.80099 
1 1 1 2   24 4  o 175.0879 40.48286 7.609759       3.267646  2.212842       4.818284  12.20571       4.446386  130.7234 52.10376 222.0149 44.12962 -91.29152      68.28049 
1 1 1 2   24 5  o 347.6794 26.47849 28.79159       4.297979  21.82521       5.847121  36.97979       6.339172  299.0610 42.78276 392.7070 34.67189 -93.64597      55.06818 
1 1 1 2   24 6  o 345.6153 38.17803 28.84959       6.103290  28.84959       6.103290  0.000000       0.000000  345.6153 38.17803 ?        ?        0.000000       38.17803 
1 1 1 2   24 7  o 802.2446 20.67639 152.0826       7.802807  155.8859       11.21452  148.5137       10.86352  810.2833 29.42216 790.9474 29.19803 19.33582       41.45104 
1 1 1 2   24 8  o 509.1207 23.09803 61.34245       5.531780  60.55291       7.692722  62.18788       7.960379  503.2689 32.67131 509.8677 33.37413 -6.598846      46.70382 
1 1 1 2   24 9  f 466.3888 24.94562 51.69836       5.452994  49.61356       7.835558  53.65636       7.593532  454.0183 37.01031 472.9903 34.36361 -18.97198      50.50368 
1 1 1 2   24 10 o 238.4398 39.54648 13.98916       4.280206  13.10940       5.849606  15.00297       6.279481  227.1664 55.26816 242.9746 56.07881 -15.80814      78.73629 
1 1 1 2   24 11 o 273.1188 36.36272 18.17148       4.555633  15.87396       6.258379  20.76100       6.644192  249.9960 54.73544 287.9775 50.90943 -37.98148      74.75117 
1 1 1 2   24 12 o 668.9882 33.94236 107.4019       10.64645  107.4019       10.64645  0.000000       0.000000  668.9882 33.94236 ?        ?        0.000000       33.94236 
1 1 1 2   24 13 o 350.6743 48.12299 30.52913       7.728948  0.000000       0.000000  30.52913       7.728948  ?        ?        350.6743 48.12299 0.000000       48.12299 
1 1 1 2   24 14 o 348.6711 50.23286 30.41023       8.001209  30.41023       8.001209  0.000000       0.000000  348.6711 50.23286 ?        ?        0.000000       50.23286 
1 1 1 2   24 15 o 404.7456 9.756389 38.60116       1.857550  38.89768       2.935977  38.40324       2.398669  405.7452 15.38261 403.4561 12.63877 2.289093       19.90887 
1 1 1 2   24 16 o 92.41888 34.68193 1.559860       2.041152  0.6932439      2.147935  9.631392       6.555197  84.27654 34.35834 195.2113 62.83614 -110.9348      71.61617 
1 1 1 2   24 17 o 172.7212 18.12660 7.142667       1.450798  8.649538       2.705742  6.534625       1.718760  187.2768 31.85441 164.2286 22.86894 23.04820       39.21342 
1 1 1 2   24 18 o 199.7151 19.18235 9.546452       1.779943  9.291915       3.088725  9.673009       2.177944  193.1966 35.28711 200.1757 23.58192 -6.979095      42.44157 
1 1 1 2   24 19 o 235.1384 18.73422 13.20059       2.054991  8.150341       3.249652  16.56596       2.652751  179.3732 39.57479 262.9821 21.63568 -83.60895      45.10284 
1 1 1 2   24 20 o 73.99720 31.62836 0.1355654E-01  1.952904  -0.4562509     3.228729  0.2845907      2.452357  90.96288 39.76712 84.88518 35.82735 6.077705       53.52591 
1 1 1 2   24 21 o 135.9635 45.79138 4.434806       3.467328  2.277051       4.110955  9.753271       6.454088  121.0516 48.16573 192.3431 62.39544 -71.29154      78.82339 
1 1 1 2   24 22 o 230.9681 22.43068 12.87723       2.406312  9.657127       3.505103  15.74780       3.309402  194.3280 39.68572 253.8842 28.18625 -59.55626      48.67670 
1 1 1 2   24 23 o 87.65001 35.21114 1.011676       2.218733  -0.8791306     3.219556  2.721838       3.061900  87.29675 38.86691 114.5125 42.57474 -27.21573      57.64759 
1 1 1 2   24 24 o 276.2489 25.09974 18.58766       3.226068  13.49881       6.442638  20.29063       3.726975  218.3707 60.58826 287.5878 27.90072 -69.21715      66.70373 
1 1 1 2   24 25 o 79.00652 33.56041 0.2508819      2.174139  -1.886894      2.993479  2.637492       3.162904  77.30695 35.60721 113.2959 43.02412 -35.98897      55.84755 
1 1 1 2   24 26 o 250.9437 38.58712 16.37041       4.409109  15.86504       6.039582  16.94709       6.451638  235.6436 55.41587 242.1527 57.49615 -6.509109      79.85441 
1 1 1 2   26 0  o 470.7479 10.80558 52.19548       2.392796  50.92141       3.183371  53.85020       3.627885  464.6979 14.56288 477.7341 16.14351 -13.03619      21.74144 
1 1 1 2   26 1  o 407.9129 10.46510 39.18810       2.008077  39.21514       2.613399  39.14912       3.137635  407.8647 13.62135 407.3165 16.37575 0.5482788      21.30038 
1 1 1 2   26 2  o 415.1847 9.653708 40.59010       1.885406  39.49112       2.385490  42.41920       3.077523  409.3738 12.38763 424.0586 15.42788 -14.68481      19.78567 
1 1 1 2   26 3  o 812.8054 11.57223 155.6469       4.424590  158.6207       6.815010  153.4800       5.817374  819.6189 17.67605 806.6176 15.33169 13.00128       23.39879 
1 1 1 2   26 4  o 405.6302 22.31978 39.06186       4.242435  40.16053       6.225688  38.10940       5.796678  409.1906 32.61478 398.8881 31.13969 10.30252       45.09328 
1 1 1 2   26 5  o 205.1982 40.16664 10.44492       3.738322  11.15934       5.257981  9.714626       5.316070  209.9580 53.17907 196.4373 55.22692 13.52072       76.66829 
1 1 1 2   26 6  f 394.5465 25.39374 37.08456       4.687932  34.66112       6.323575  40.04162       6.985158  378.9529 35.90205 407.2666 36.86042 -28.31372      51.45530 
1 1 1 2   26 7  o 401.0982 26.14894 38.36442       4.906730  38.64447       6.910542  38.07967       6.968144  399.8130 37.16954 396.6708 37.80106 3.142120       53.01410 
1 1 1 2   26 8  o 868.8398 21.35041 178.7511       8.726000  192.3900       12.86272  167.1225       11.87699  898.2635 30.44106 837.3079 30.15449 60.95563       42.84800 
1 1 1 2   26 9  o 1024.425 22.57053 248.7835       10.87655  255.5589       16.06088  243.0440       14.78211  1033.661 33.03101 1008.966 31.14515 24.69452       45.39899 
1 1 1 2   26 10 o 634.8340 22.83146 95.59247       6.818097  89.29846       9.580591  102.0511       9.705106  609.7534 33.53054 653.4298 31.57417 -43.67639      46.05677 
1 1 1 2   26 11 o 413.0235 27.43982 40.80767       5.300867  50.83235       7.544632  31.03448       7.449391  458.8100 35.22603 354.3864 45.75487 104.4236       57.74410 
1 1 1 2   26 12 o 319.4551 31.50384 24.64812       4.672516  19.54519       6.313860  30.82640       6.947343  278.4291 50.04691 354.0934 42.56183 -75.66431      65.69781 
1 1 1 2   26 13 f 292.7953 33.69255 20.84026       4.555913  13.32640       5.820204  32.72890       7.321040  227.4494 55.00158 364.3573 43.57932 -136.9078      70.17358 
1 1 1 2   26 14 o 223.4686 47.08537 12.66964       4.793427  19.13793       6.693224  5.859097       6.868015  273.4524 53.94986 169.0892 63.58600 104.3633       83.38925 
1 1 1 2   26 15 o 512.0829 26.70074 62.75120       6.409530  63.52557       9.073133  61.97979       9.055779  510.8039 38.03264 504.3225 38.46230 6.481415       54.09095 
1 1 1 2   26 16 o 501.9305 15.30781 59.56419       3.614314  83.11535       10.13913  56.13585       3.868447  584.5206 37.06677 486.9977 16.88653 97.52292       40.73206 
1 1 1 2   26 17 o 144.4930 16.70638 5.008146       1.114591  3.501395       1.923423  5.769917       1.367623  118.7065 33.16533 154.7897 19.19438 -36.08323      38.31923 
1 1 1 2   26 18 o 127.2138 21.38020 3.953331       1.234043  2.568078       2.334223  4.490695       1.453824  107.6657 37.53057 135.2869 23.70900 -27.62119      44.39212 
1 1 1 2   26 19 o 433.3422 12.31598 44.36113       2.510552  32.27336       3.631575  55.42614       3.474543  367.4860 21.09642 483.8141 15.26686 -116.3281      26.04104 
1 1 1 2   26 20 o 182.0046 49.92315 8.695232       4.402718  10.72533       6.487467  6.961951       5.994479  199.7123 62.29561 168.9029 60.03585 30.80945       86.51617 
1 1 1 2   26 21 o 174.6278 49.31798 8.041543       4.229400  7.901309       6.251143  8.159929       5.743590  175.6965 61.40798 176.6449 58.93766 -0.9483337     85.11514 
1 1 1 2   26 22 o 121.4140 51.73911 1.025565       5.197484  0.000000       0.000000  1.025565       5.197484  ?        ?        121.4140 51.73911 0.000000       51.73911 
1 1 1 2   26 24 o 152.0469 58.35207 5.499406       5.856677  5.499406       5.856677  0.000000       0.000000  152.0469 58.35207 ?        ?        0.000000       58.35207 
1 1 1 2   28 0  o 578.3358 12.39896 78.84595       3.373143  85.15572       4.226556  67.77646       5.598137  600.7235 14.95694 534.8671 22.24991 65.85638       26.80986 
1 1 1 2   28 1  o 244.9102 13.31464 14.18591       1.528167  15.39899       1.962224  12.31604       2.436178  254.8425 16.45637 226.7867 23.16115 28.05576       28.41216 
1 1 1 2   28 2  o 658.4074 13.04376 102.2160       4.039865  116.1712       8.666101  98.34135       4.566388  699.2203 26.34756 645.5416 15.03762 53.67865       30.33684 
1 1 1 2   28 3  o 272.8291 9.930286 17.53307       1.274447  17.35024       1.601254  17.84904       2.105059  271.2842 12.54777 274.4469 16.38029 -3.162720      20.63396 
1 1 1 2   28 4  o 556.9326 19.80869 73.38464       5.189525  78.50774       7.653651  69.02498       7.060389  574.2823 28.33178 537.8577 28.00243 36.42468       39.83498 
1 1 1 2   28 5  o 98.59855 45.37411 -3.403686      4.846418  -3.403686      4.846418  0.000000       0.000000  98.59855 45.37411 ?        ?        0.000000       45.37411 
1 1 1 2   28 6  o 598.5906 21.02475 84.85584       5.920112  94.20334       8.565869  76.30798       8.191293  628.7709 28.96074 564.5790 30.96126 64.19189       42.39486 
1 1 1 2   28 7  o 416.8541 24.35201 41.39355       4.754393  35.52319       6.369139  48.78122       7.145001  383.1803 35.74804 450.0710 33.99915 -66.89072      49.33421 
1 1 1 2   28 8  o 436.2399 35.79777 45.98692       7.281245  0.000000       0.000000  45.98692       7.281245  ?        ?        436.2399 35.79777 0.000000       35.79777 
1 1 1 2   28 9  o 311.5554 31.81017 23.44986       4.596589  27.91320       6.665498  19.40250       6.347286  336.7705 43.06151 277.4717 50.48956 59.29880       66.35880 
1 1 1 2   28 10 o 292.9175 33.48166 20.82933       4.530524  22.71700       6.219270  18.69501       6.613109  302.4623 45.08971 270.9155 53.78951 31.54688       70.18827 
1 1 1 2   28 11 o 310.1971 34.24100 23.38237       4.913079  26.63199       6.879627  20.00000       7.018747  327.3708 45.93867 279.5644 55.32997 47.80649       71.91499 
1 1 1 2   28 12 o 485.9386 26.13518 56.43435       5.952202  60.64210       8.419130  52.22949       8.416242  500.2901 36.01565 462.9251 39.01259 37.36502       53.09529 
1 1 1 2   28 13 o 365.5648 30.81697 32.26187       5.249945  29.93460       7.062140  35.13675       7.849153  347.3518 44.22430 376.2735 45.25304 -28.92163      63.27422 
1 1 1 2   28 14 o 300.2094 54.71176 23.16588       7.441673  0.000000       0.000000  23.16588       7.441673  ?        ?        300.2094 54.71176 0.000000       54.71176 
1 1 1 2   28 15 o 231.1479 44.20265 13.53362       4.631104  11.33472       6.332854  16.06124       6.789728  207.7716 60.87528 246.7035 59.25122 -38.93190      84.95003 
1 1 1 2   28 16 f 144.5231 49.44551 4.928659       4.043411  9.381689       5.561571  -0.6406065E-01 5.888956  189.9516 57.39364 124.7283 54.12825 65.22329       78.89169 
1 1 1 2   28 17 o 102.6066 43.77845 0.2814837      3.729456  -1.364447      4.832059  2.706599       5.865334  106.4220 47.48141 139.5861 56.82697 -33.16410      74.05261 
1 1 1 2   28 18 o 254.7915 37.58602 16.23241       4.369564  14.14982       5.882461  18.79608       6.526608  230.5011 55.01588 267.0703 53.81060 -36.56915      76.95666 
1 1 1 2   28 19 o 216.2105 41.59445 11.98044       4.076808  11.24257       5.866816  12.66944       5.669214  203.6436 58.28598 216.8662 55.37831 -13.22264      80.39909 
1 1 1 2   28 20 o 237.9615 39.11802 14.40340       4.226581  11.46255       6.016860  17.26814       5.938485  204.0210 59.21172 254.7865 51.32286 -50.76558      78.35857 
1 1 1 2   28 21 o 140.7194 48.66500 4.887551       3.920952  6.554698       5.517510  3.186683       5.573034  161.0411 57.55982 137.1340 55.55285 23.90706       79.99532 
1 1 1 2   30 0  f 512.8442 12.34646 62.01210       2.978498  64.98355       3.629659  55.88586       5.211693  524.7183 14.70518 485.4168 22.82415 39.30145       27.15114 
1 1 1 2   30 1  o 252.2471 12.91345 15.04483       1.527142  15.63289       1.946853  14.10424       2.462198  256.7627 16.20186 243.0019 21.77071 13.76082       27.13787 
1 1 1 2   30 2  o 248.5866 11.77027 14.56701       1.376364  14.83353       1.775221  14.16536       2.179278  250.2121 15.15401 243.9483 19.14465 6.263855       24.41642 
1 1 1 2   30 3  o 139.0966 15.50145 4.624584       0.9970279 5.184573       1.334929  3.918128       1.499376  146.6870 19.85665 126.0886 26.13761 20.59840       32.82470 
1 1 1 2   30 4  o 284.3454 27.81404 19.43781       3.672675  20.55292       5.413543  18.48692       4.999073  288.9770 40.97181 274.1051 39.94479 14.87189       57.22128 
1 1 1 2   30 5  o 395.5029 24.32711 37.29694       4.504000  38.10940       6.689112  36.62307       6.091926  396.5747 36.25821 389.5228 33.57499 7.051910       49.41597 
1 1 1 2   30 6  o 197.9836 44.01864 9.880925       3.993396  10.83829       5.726204  8.974436       5.571982  205.6029 57.14677 188.7996 57.53743 16.80328       81.09445 
1 1 1 2   30 7  o 227.9651 39.30371 12.88904       4.062534  12.86861       5.693741  12.91023       5.798268  223.7460 54.58260 223.9526 55.35554 -0.2065582     77.73993 
1 1 1 2   30 8  o 488.8449 24.66036 56.98421       5.652457  51.36742       7.863118  62.99049       8.131182  460.2487 36.62186 510.9488 34.02495 -50.70007      49.98858 
1 1 1 2   30 9  o 721.4357 22.66799 123.6428       7.692718  124.8216       10.83287  122.4435       10.92602  721.3530 31.92467 714.1850 32.52235 7.167969       45.57289 
1 1 1 2   30 10 o 265.9937 50.77639 18.01724       6.121587  18.01724       6.121587  0.000000       0.000000  265.9937 50.77639 ?        ?        0.000000       50.77639 
1 1 1 2   30 11 o 602.7365 22.99028 86.42491       6.518402  79.96434       8.796610  94.29252       9.707358  575.6227 32.62101 624.9611 33.13854 -49.33832      46.50046 
1 1 1 2   30 12 o 412.8308 25.36985 40.82561       4.902876  31.36148       6.364728  54.63734       7.688883  357.2615 38.47960 474.2744 34.70488 -117.0129      51.81803 
1 1 1 2   30 13 o 265.8455 51.23170 18.18966       6.174419  0.000000       0.000000  18.18966       6.174419  ?        ?        265.8455 51.23170 0.000000       51.23170 
1 1 1 2   30 14 o 144.4846 47.45265 5.078202       3.728605  8.501784       5.200153  1.455708       5.349087  181.4650 55.63758 127.8120 53.36313 53.65299       77.09192 
1 1 1 2   30 15 o 219.8862 38.84126 12.17108       3.870625  19.72057       5.553928  5.041617       5.397217  279.1739 43.72742 152.2813 56.54324 126.8926       71.47884 
1 1 1 2   30 16 o 198.6889 53.66131 10.47563       5.133300  10.47563       5.133300  0.000000       0.000000  198.6889 53.66131 ?        ?        0.000000       53.66131 
1 1 1 2   30 17 o 331.8239 29.72116 26.87840       4.590044  21.80737       6.047547  33.76933       7.049687  291.4861 45.59992 366.1740 41.66941 -74.68793      61.77129 
1 1 1 2   30 18 o 147.0427 48.63226 5.440338       3.913763  0.1586802      5.315974  11.69144       5.783304  118.1469 51.34997 206.6820 57.42540 -88.53509      77.03568 
1 1 1 2   32 0  o 354.0940 18.45598 29.76232       3.063507  25.78478       4.158499  34.48276       4.530240  327.6935 27.22383 379.7024 25.51159 -52.00882      37.30922 
1 1 1 2   32 1  o 547.9971 17.00572 71.02454       4.383718  72.50298       6.314647  69.64923       6.090456  552.0762 24.31536 541.1996 23.92341 10.87659       34.11108 
1 1 1 2   32 2  o 552.6404 25.52127 72.74079       6.634593  0.000000       0.000000  72.74079       6.634593  ?        ?        552.6404 25.52127 0.000000       25.52127 
1 1 1 2   32 3  o 582.6747 19.03774 80.42168       5.218081  88.13913       7.819893  74.22712       7.005977  607.7088 27.35495 557.8817 26.69668 49.82709       38.22311 
1 1 1 2   32 4  o 449.2731 30.58560 48.57313       6.425461  48.57313       6.425461  0.000000       0.000000  449.2731 30.58560 ?        ?        0.000000       30.58560 
1 1 1 2   32 5  o 328.2239 26.33492 25.85611       4.031799  29.69976       6.283334  23.16588       5.256689  347.9793 39.06002 307.5035 37.08942 40.47580       53.86381 
1 1 1 2   32 6  o 340.3277 26.62203 27.80992       4.227989  32.04519       6.457160  24.63139       5.593884  361.6317 38.55256 316.6494 38.33583 44.98230       54.36852 
1 1 1 2   32 7  o 574.9672 29.48940 79.42926       7.949039  0.000000       0.000000  79.42926       7.949039  ?        ?        574.9672 29.48940 0.000000       29.48940 
1 1 1 2   32 8  o 184.5803 41.42225 8.631479       3.508221  7.256243       5.097312  9.869205       4.835761  170.9094 55.45137 195.4336 51.77488 -24.52423      75.86496 
1 1 1 2   32 9  o 172.4542 43.08287 7.579617       3.484890  7.782403       4.954771  7.381094       4.902404  175.1397 54.41075 171.2876 54.25685 3.852158       76.83968 
1 1 1 2   32 10 o 160.8651 44.31086 6.592227       3.459948  3.712842       4.628872  10.23781       5.208457  137.6197 52.09941 198.0324 54.29128 -60.41264      75.24554 
1 1 1 2   32 11 o 340.3288 27.10414 27.94084       4.303171  26.04638       6.054183  29.87515       6.117517  323.5120 40.68256 347.9322 37.99522 -24.42020      55.66604 
1 1 1 2   32 12 o 131.0842 46.04547 3.909945       3.516756  3.454222       4.886707  4.399525       5.064970  136.9535 53.10011 145.4061 54.61985 -8.452652      76.17710 
1 1 1 2   32 13 o 88.95982 39.63331 -1.019519      3.353693  -4.170630      4.612010  2.516350       4.885471  90.95010 42.65939 129.7981 52.21185 -38.84797      67.42329 
1 1 1 3   1  0  o 316.1371 13.38007 23.52259       1.989771  23.52259       1.989771  0.000000       0.000000  316.1371 13.38007 ?        ?        0.000000       13.38007 
1 1 1 3   1  1  o 394.6436 7.040515 36.63794       1.307010  36.39921       1.836067  36.88319       1.860967  393.3193 9.923707 395.9245 9.992103 -2.605194      14.08269 
1 1 1 3   1  2  o 781.0791 9.271905 143.5394       3.406695  142.2229       4.768798  144.9114       4.868333  777.3649 13.04111 784.6719 13.18933 -7.307068      18.54802 
1 1 1 3   1  3  o 1101.194 11.72712 285.3611       6.074694  290.3502       8.735643  280.6894       8.453148  1110.478 16.72306 1091.865 16.45812 18.61243       23.46339 
1 1 1 3   1  4  o 1019.437 13.17140 244.5954       6.316288  237.7527       10.53103  248.4400       7.893723  1004.457 22.28795 1027.235 16.33589 -22.77802      27.63357 
1 1 1 3   1  5  o 1640.961 16.36247 633.9860       12.63038  622.4167       17.45095  646.7135       18.30366  1625.135 22.82762 1656.454 23.49034 -31.31897      32.75510 
1 1 1 3   1  6  o 576.3610 10.19092 78.16274       2.762977  76.81332       3.872198  79.56242       3.943661  571.2515 14.40990 581.3837 14.42007 -10.13220      20.38587 
1 1 1 3   1  7  o 531.6477 12.26448 66.51717       3.067203  65.93712       3.767350  67.65755       5.282368  529.2461 15.13244 535.8938 20.95466 -6.647705      25.84741 
1 1 1 3   1  8  f 1287.022 16.38601 390.0012       9.920386  395.0654       17.41265  387.5675       12.07099  1293.966 28.60704 1282.671 20.00591 11.29468       34.90844 
1 1 1 3   1  9  o 884.6389 12.15263 184.1814       5.057148  189.9882       7.320022  178.8790       6.994832  898.1834 17.32519 871.5449 17.06154 26.63849       24.31581 
1 1 1 3   1  10 o 1346.525 15.01060 426.9347       9.507839  435.7971       13.71794  418.7416       13.18983  1359.625 21.44868 1332.812 21.03783 26.81226       30.04391 
1 1 1 3   1  11 o 996.9933 15.35062 234.1693       7.199255  248.7812       13.04269  227.7665       8.633654  1025.880 27.02720 982.8860 18.67335 42.99438       32.85062 
1 1 1 3   1  12 o 721.9821 12.97490 122.7887       4.406561  120.0036       6.188469  125.6533       6.276092  713.1888 18.44631 729.8041 18.28158 -16.61523      25.97080 
1 1 1 3   1  13 o 384.3712 16.70398 34.83590       3.020231  29.66010       4.158495  40.61377       4.393708  353.2269 25.19240 413.9817 22.64801 -60.75479      33.87609 
1 1 1 3   1  14 f 437.5838 18.38400 45.14075       3.784168  48.74331       4.750044  38.88229       6.260741  454.4674 22.21905 403.7192 33.26289 50.74820       40.00133 
1 1 1 3   1  15 o 467.3025 16.08723 51.42692       3.536297  55.74192       5.156501  47.59560       4.858915  486.2129 22.54547 448.6638 23.10072 37.54907       32.27912 
1 1 1 3   1  16 o 1961.605 20.50599 906.6586       18.92177  934.7565       27.59166  881.7125       25.99822  1989.864 29.47714 1932.792 28.59494 57.07190       41.06790 
1 1 1 3   1  17 o 2103.375 25.06650 1043.355       24.80161  1053.211       43.29222  1038.541       30.25939  2107.577 43.66737 2097.127 30.67370 10.45020       53.36398 
1 1 1 3   1  18 o 1029.809 17.94191 249.8070       8.691503  251.3795       10.66673  246.7004       14.99288  1032.660 21.95859 1021.838 31.19131 10.82227       38.14548 
1 1 1 3   1  19 o 1027.311 18.29408 248.6618       8.840597  251.0993       10.88421  243.9358       15.15558  1031.877 22.42332 1015.707 31.72011 16.16962       38.84547 
1 1 1 3   1  20 o 1061.324 23.12490 265.7943       11.54509  278.5078       16.87509  254.6077       15.82946  1084.573 33.07637 1037.123 32.44641 47.45068       46.33374 
1 1 1 3   1  21 o 407.9777 23.96432 39.44344       4.578887  42.83591       8.122834  37.86333       5.543609  422.2183 41.43166 398.8740 29.75949 23.34433       51.01186 
1 1 1 3   1  22 o 979.8547 16.70804 226.3690       7.701164  236.5427       11.15839  217.1149       10.64212  1000.403 23.71142 958.4608 23.60394 41.94177       33.45710 
1 1 1 3   1  23 o 229.0444 35.22375 12.78475       3.673543  11.84099       5.232731  13.70190       5.158416  216.9891 51.95358 234.2987 48.40493 -17.30962      71.00854 
1 1 1 3   1  24 o 226.7857 40.01569 12.71209       4.112845  14.29693       5.058894  9.622474       7.063425  239.0869 46.65603 198.8337 65.31278 40.25323       80.26546 
1 1 1 3   1  25 o 120.9881 48.10027 2.061494       4.096636  -2.819858      7.147009  4.450047       4.999444  126.4049 56.96243 147.5595 54.49306 -21.15456      78.83028 
1 1 1 3   1  26 o 320.3641 31.35112 24.89578       4.664060  21.25755       5.816144  31.45066       7.806786  291.5729 43.75564 353.7662 48.16426 -62.19333      65.07190 
1 1 1 3   1  27 o 548.5583 20.04982 71.57479       5.173716  67.19982       7.455599  75.63835       7.185359  527.0153 30.19978 561.2826 27.21433 -34.26733      40.65275 
1 1 1 3   1  28 o 361.7610 25.79009 31.63198       4.360041  37.20480       6.351377  26.66532       5.996015  388.1718 35.16537 325.8675 39.95272 62.30429       53.22427 
1 1 1 3   1  29 o 157.9237 50.18544 6.507146       4.191659  1.230381       7.753346  8.686349       4.982577  142.9139 62.06431 179.4452 54.34756 -36.53128      82.49628 
1 1 1 3   1  30 o 331.5595 32.21664 27.32605       4.961268  27.26190       5.944858  27.47325       9.005169  326.9124 39.45594 309.9700 63.88372 16.94238       75.08595 
1 1 1 3   1  31 o 273.8452 30.83986 18.71236       3.903558  18.24592       5.534113  19.17423       5.506916  261.2094 46.75594 268.9782 45.12123 -7.768890      64.97725 
1 1 1 3   1  32 o 308.6947 28.85670 23.70542       4.141694  17.11366       5.801701  30.55577       5.914403  247.6259 51.48595 345.0173 37.02046 -97.39143      63.41386 
1 1 1 3   1  33 o 233.7402 34.79711 14.16325       3.709340  17.47431       5.315836  11.02112       5.178460  251.5109 46.64857 193.2764 54.56694 58.23454       71.78886 
1 1 1 3   1  34 o 89.66206 39.35089 0.4450011E-01  3.188774  7.048166       4.669614  -6.075213      4.364996  154.6589 53.12965 77.45129 37.66608 77.20764       65.12675 
1 1 1 3   1  35 o 148.7281 50.71956 6.722183       4.254334  3.995244       5.958983  9.557076       6.075790  131.7141 55.73411 168.1389 60.36933 -36.42480      82.16293 
1 1 1 3   1  36 o 173.7929 51.20736 9.846810       4.469909  4.794888       6.165810  15.44293       6.489409  131.9254 56.28901 204.5658 62.03855 -72.64043      83.76893 
1 1 1 3   3  0  o 794.1917 8.841412 148.3949       3.303058  144.7235       4.585729  152.3534       4.761699  784.1921 12.43130 804.5927 12.58104 -20.40051      17.68671 
1 1 1 3   3  1  o 472.0920 7.316883 52.43010       1.624883  52.12125       2.273011  52.75287       2.323689  470.6533 10.26671 473.4933 10.43265 -2.840088      14.63713 
1 1 1 3   3  2  o 1350.199 13.44907 429.0739       8.541997  429.3265       12.07728  428.8212       12.08313  1350.135 19.01616 1349.339 19.03660 0.7966309      26.90737 
1 1 1 3   3  3  o 777.7582 10.91222 142.3392       3.992337  140.6064       6.670023  143.3065       4.983655  772.6912 18.35068 780.3000 13.57741 -7.608826      22.82747 
1 1 1 3   3  4  o 974.1406 11.14092 223.2988       5.105193  223.7184       7.207683  222.8763       7.232046  974.8292 15.71802 972.9880 15.80099 1.841248       22.28738 
1 1 1 3   3  5  o 1585.590 15.89418 591.8821       11.85491  574.8757       16.22587  611.3547       17.36254  1561.951 22.08366 1610.632 22.91646 -48.68103      31.82534 
1 1 1 3   3  6  o 605.3260 10.24618 86.21611       2.917565  86.82933       4.165320  85.62547       4.087890  607.3530 14.57934 603.1335 14.40842 4.219482       20.49780 
1 1 1 3   3  7  o 765.1049 10.97716 137.7461       3.950758  145.8330       5.815792  130.8165       5.383631  787.0556 15.70848 745.4487 15.35282 41.60687       21.96510 
1 1 1 3   3  8  o 1067.627 12.81926 268.2657       6.438011  268.0144       9.110117  268.5164       9.099338  1066.773 18.15443 1067.775 18.11594 -1.001587      25.64703 
1 1 1 3   3  9  o 144.9417 28.15874 5.128130       1.850702  2.674518       2.606156  7.624115       2.628563  113.1016 39.64345 176.8191 32.81042 -63.71752      51.45995 
1 1 1 3   3  10 o 852.9218 14.23453 171.2985       5.711126  188.9715       10.39929  163.6664       6.833933  894.8132 24.70596 833.4672 17.43062 61.34607       30.23592 
1 1 1 3   3  11 o 1201.540 14.40486 340.1048       8.141730  337.7268       11.47279  342.5174       11.55595  1196.370 20.38610 1204.825 20.38976 -8.454590      28.83290 
1 1 1 3   3  12 o 325.2673 20.34017 25.07663       3.096543  22.23163       3.737720  31.30202       5.529031  305.3536 26.27759 361.5457 32.86905 -56.19205      42.08190 
1 1 1 3   3  13 o 638.1610 27.90973 96.40310       8.378286  96.40310       8.378286  0.000000       0.000000  638.1610 27.90973 ?        ?        0.000000       27.90973 
1 1 1 3   3  14 o 777.4233 13.75435 142.3140       5.029989  142.7572       7.209293  141.8935       7.021385  778.1696 19.69469 775.8533 19.23862 2.316284       27.53189 
1 1 1 3   3  15 o 1282.827 18.33280 387.6576       11.06283  370.9869       18.79436  396.4959       13.68474  1252.978 31.88709 1296.869 22.43216 -43.89160      38.98703 
1 1 1 3   3  16 o 1494.215 17.23953 525.7804       12.11735  536.8683       17.53300  515.6416       16.76579  1508.902 24.70164 1478.863 24.10054 30.03992       34.51097 
1 1 1 3   3  17 o 1204.136 15.86591 341.3955       8.986899  358.0541       13.29181  327.3672       12.19739  1232.444 22.92702 1178.552 22.00133 53.89148       31.77588 
1 1 1 3   3  18 o 664.7684 15.50514 104.0581       4.848589  107.8108       6.920650  100.4404       6.794960  676.2759 21.75473 652.7247 22.13031 23.55121       31.03255 
1 1 1 3   3  19 o 900.6334 15.49626 191.0278       6.565146  200.8809       9.492270  181.9925       9.089837  922.9782 21.86298 878.5005 21.99605 44.47766       31.01316 
1 1 1 3   3  20 o 1046.018 16.15233 257.7643       7.947739  267.0388       11.51262  249.3196       10.98550  1063.783 23.00658 1027.926 22.71897 35.85693       32.33348 
1 1 1 3   3  21 o 188.3378 39.16668 8.743843       3.356846  3.404346       4.785485  13.91624       4.710009  139.7702 52.95902 237.9724 43.68502 -98.20212      68.65158 
1 1 1 3   3  22 o 379.6978 21.90212 34.16730       3.895348  37.89167       5.710421  30.92599       5.327229  398.5387 30.69616 359.6086 31.82062 38.93008       44.21319 
1 1 1 3   3  23 o 174.6739 41.80990 7.605497       3.389662  6.512141       5.027387  8.516824       4.589849  166.7765 55.11670 184.6938 51.10201 -17.91727      75.16159 
1 1 1 3   3  24 o 293.8855 26.58855 20.68716       3.635913  19.26928       5.152026  22.09401       5.131948  280.2715 40.23137 301.3620 36.97712 -21.09048      54.64312 
1 1 1 3   3  25 o 113.1336 44.56970 1.897379       3.487711  1.504635       4.747372  2.357919       5.140827  123.5786 50.80982 133.1471 53.55899 -9.568466      73.82549 
1 1 1 3   3  26 o 313.7333 26.37959 23.68278       3.856987  28.45576       5.455876  18.91425       5.453333  341.5647 34.42585 274.6141 43.67805 66.95062       55.61395 
1 1 1 3   3  27 o 212.2294 37.40359 11.30453       3.597680  9.428823       5.035517  13.26034       5.141928  189.5384 53.91254 225.6803 49.77274 -36.14185      73.37498 
1 1 1 3   3  28 o 642.4858 18.81062 98.29220       5.685073  102.7990       8.161132  94.04354       7.923929  653.0846 26.56511 624.4183 26.97712 28.66626       37.86120 
1 1 1 3   3  29 o 169.6180 43.83583 7.567803       3.522879  9.380746       5.063729  5.867219       4.904303  185.8020 54.43375 153.7588 54.34034 32.04312       76.91492 
1 1 1 3   3  30 f 430.9220 22.19889 44.79743       4.484574  49.73743       6.485626  40.27163       6.207785  448.9612 30.89768 402.4060 33.08776 46.55521       45.27103 
1 1 1 3   3  31 o 165.6452 49.43916 7.482965       4.145474  5.916808       5.225341  10.14269       6.809497  152.7303 55.81913 187.5257 64.16675 -34.79536      85.04790 
1 1 1 3   3  32 o 131.2806 48.15795 4.183705       3.894572  7.218767       4.948676  -0.7547563     6.312495  161.2764 54.70357 118.9405 53.57222 42.33590       76.56672 
1 1 1 3   3  33 o 101.5600 43.83314 0.6185626      3.819646  1.663793       6.542116  0.7798076E-01  4.704819  129.3330 56.57251 107.1660 47.38424 22.16703       73.79509 
1 1 1 3   3  34 o 63.13248 31.08640 -6.052850      3.264337  -9.084424      5.895787  -4.712674      3.920022  85.84228 42.17174 76.29815 36.75851 9.544128       55.94322 
1 1 1 3   3  35 o 186.3421 42.71809 9.969314       3.664500  8.246137       6.335312  10.83573       4.492263  157.9203 60.66981 188.1615 49.92784 -30.24121      78.57235 
1 1 1 3   3  36 o 196.2561 60.45570 14.06362       6.131591  14.06362       6.131591  0.000000       0.000000  196.2561 60.45570 ?        ?        0.000000       60.45570 
1 1 1 3   5  0  o 998.2853 10.44120 234.4903       4.903142  230.5471       6.809231  238.7366       7.066080  989.6629 14.62654 1007.071 14.91589 -17.40802      20.89065 
1 1 1 3   5  1  o 1585.654 15.34212 591.8826       11.44361  577.9784       15.81339  607.1700       16.58134  1566.264 21.46300 1605.266 21.95852 -39.00195      30.70565 
1 1 1 3   5  2  o 1098.749 13.10641 284.1268       6.774100  280.4400       11.24088  286.2293       8.488632  1090.975 21.90363 1102.611 16.36614 -11.63525      27.34263 
1 1 1 3   5  3  o 1977.061 18.82266 920.5482       17.50534  935.6688       25.22322  906.4976       24.31436  1991.875 26.91964 1960.686 26.36244 31.18909       37.67818 
1 1 1 3   5  4  o 2564.523 24.00478 1550.138       28.95835  1501.009       39.34383  1608.219       42.77793  2521.136 33.17501 2609.074 34.85492 -87.93823      48.11908 
1 1 1 3   5  5  o 1282.421 13.55342 387.0732       8.176146  384.8433       11.49701  389.3549       11.62976  1278.295 19.11986 1285.756 19.22838 -7.461304      27.11641 
1 1 1 3   5  6  o 298.0114 17.33435 20.98270       2.419522  20.98270       2.419522  0.000000       0.000000  298.0114 17.33435 ?        ?        0.000000       17.33435 
1 1 1 3   5  7  f 1032.433 14.41198 250.9137       6.999305  251.6944       12.47888  250.5553       8.454400  1033.105 25.67805 1031.498 17.42389 1.606934       31.03150 
1 1 1 3   5  8  o 80.91174 30.74988 1.077891       1.616441  0.4246426      2.260136  1.761913       2.312759  84.27830 34.89462 99.20769 36.97853 -14.92939      50.84335 
1 1 1 3   5  9  o 268.2660 16.38743 17.01456       2.058060  17.17069       3.008664  16.87725       2.821423  268.7034 24.05760 266.5382 22.71984 2.165222       33.09017 
1 1 1 3   5  10 o 189.8875 22.77961 8.633715       1.994141  9.833705       2.802695  7.403372       2.837919  201.5670 30.51328 173.4568 35.96130 28.11023       47.16222 
1 1 1 3   5  11 o 772.7699 12.69885 140.6600       4.616192  144.2612       6.643182  137.2976       6.419143  782.0194 18.05882 762.9332 17.88633 19.08624       25.41735 
1 1 1 3   5  12 o 372.2660 15.68660 32.66284       2.746955  29.84002       3.880245  35.49890       3.889333  354.6024 23.39349 387.1540 21.43972 -32.55161      31.73195 
1 1 1 3   5  13 o 934.2841 16.04103 205.6525       7.049863  218.7105       8.853458  183.0262       11.65414  963.0941 19.54227 879.8404 28.15833 83.25372       34.27524 
1 1 1 3   5  14 o 1014.168 14.24249 242.1503       6.794621  242.6751       9.714471  241.6476       9.506978  1014.749 20.35126 1012.637 19.95811 2.111816       28.50438 
1 1 1 3   5  15 o 1607.569 17.78578 608.6284       13.44968  603.9297       18.93083  613.4174       19.11189  1600.297 25.14779 1612.811 25.19131 -12.51416      35.59513 
1 1 1 3   5  16 o 915.4336 20.34457 197.4363       8.760818  0.000000       0.000000  197.4363       8.760818  ?        ?        915.4336 20.34457 0.000000       20.34457 
1 1 1 3   5  17 o 554.5450 15.78292 72.40830       4.117119  76.90203       6.017229  68.45264       5.645504  571.1772 22.39528 538.8928 22.27056 32.28442       31.58364 
1 1 1 3   5  18 o 569.7578 16.42227 76.45344       4.401418  71.78262       6.200738  81.19670       6.248630  551.6702 23.89431 586.8154 22.63674 -35.14520      32.91444 
1 1 1 3   5  19 o 1070.162 19.10995 269.9168       9.620080  278.0081       11.62931  252.3781       17.12161  1085.617 22.77236 1032.269 35.26002 53.34790       41.97439 
1 1 1 3   5  20 o 1291.114 17.14665 392.8282       10.41390  401.1974       15.02179  385.0842       14.44981  1303.493 24.49873 1277.139 24.05218 26.35400       34.33213 
1 1 1 3   5  21 o 241.8162 31.11412 14.08041       3.457155  15.36042       4.964061  12.87485       4.817542  250.1968 43.77229 228.0665 46.48208 22.13023       63.84824 
1 1 1 3   5  22 o 314.1682 34.82523 23.76349       5.060074  0.000000       0.000000  23.76349       5.060074  ?        ?        314.1682 34.82523 0.000000       34.82523 
1 1 1 3   5  23 o 680.3315 17.04707 109.2542       5.455564  112.2167       7.951505  106.6193       7.499027  688.1689 24.56320 670.9463 23.76008 17.22266       34.17444 
1 1 1 3   5  24 o 464.2654 20.42282 51.02811       4.460168  50.38985       6.401285  51.63034       6.217971  458.7371 29.82633 464.7064 28.58326 -5.969238      41.31117 
1 1 1 3   5  25 o 651.6904 17.93130 100.5256       5.496958  96.42889       7.511866  105.2483       8.065357  636.3475 25.09483 664.5783 25.79931 -28.23083      35.99104 
1 1 1 3   5  26 o 430.9674 21.07165 44.16020       4.271813  39.40326       6.030170  48.95230       6.052405  403.0757 32.06860 450.8280 28.68878 -47.75235      43.02838 
1 1 1 3   5  27 o 194.0484 39.94487 9.581620       3.524676  8.267201       5.067867  10.81311       4.905393  178.2757 54.96958 202.7482 51.37173 -24.47258      75.23769 
1 1 1 3   5  28 o 368.3950 35.14940 33.60790       6.017275  0.000000       0.000000  33.60790       6.017275  ?        ?        368.3950 35.14940 0.000000       35.14940 
1 1 1 3   5  29 o 136.5088 45.41481 4.653872       3.411198  1.862014       4.723242  7.697776       4.931840  121.9836 50.47010 169.8967 54.48375 -47.91309      74.26782 
1 1 1 3   5  30 f 421.8070 22.53086 42.96809       4.454371  41.63787       6.282152  44.31305       6.316855  409.2414 32.91150 422.8709 31.99259 -13.62952      45.89872 
1 1 1 3   5  31 o 238.7365 40.81620 14.89597       4.419054  12.46907       5.185091  21.33769       8.447559  211.4892 52.39021 265.8997 67.43713 -54.41054      85.39614 
1 1 1 3   5  32 o 391.7084 24.16488 37.51761       4.430890  39.83847       6.261111  35.18916       6.271351  396.5628 33.88915 370.5152 36.45398 26.04761       49.77316 
1 1 1 3   5  33 f 96.39832 42.01249 0.2473621      3.578720  -0.9233057     6.252671  0.8176848      4.364244  115.6338 52.57520 107.9390 46.71954 7.694748       70.33397 
1 1 1 3   5  34 o 168.2689 44.49734 8.085468       3.576062  12.11058       6.584088  6.401218       4.259022  190.5070 63.08096 148.3053 50.74666 42.20164       80.95944 
1 1 1 3   5  35 o 107.3905 42.54083 2.568707       3.193729  0.9771107      5.786317  3.266002       3.829960  114.9821 51.58163 116.8765 46.49488 -1.894371      69.44378 
1 1 1 3   5  36 o 108.5137 49.36838 0.6646850      5.524001  0.6646850      5.524001  0.000000       0.000000  108.5137 49.36838 ?        ?        0.000000       49.36838 
1 1 1 3   7  0  o 1751.830 19.54353 722.7990       16.10513  653.6861       24.78504  773.3062       21.18784  1664.124 31.66173 1811.236 24.86808 -147.1118      40.26023 
1 1 1 3   7  1  o 1477.754 20.41557 514.3896       14.19165  0.000000       0.000000  514.3896       14.19165  ?        ?        1477.754 20.41557 0.000000       20.41557 
1 1 1 3   7  2  o 725.7222 9.038055 123.9104       3.085423  120.6599       6.977356  124.7006       3.440044  715.6920 20.72504 728.0071 10.04521 -12.31512      23.03115 
1 1 1 3   7  3  o 1365.624 13.81282 438.9394       8.873252  438.4666       12.49263  439.4207       12.60548  1364.420 19.46419 1365.889 19.61890 -1.468506      27.63614 
1 1 1 3   7  4  f 782.6327 9.994405 144.1181       3.679461  143.3621       5.153249  144.9043       5.255340  780.4349 14.03703 784.6131 14.23888 -4.178162      19.99460 
1 1 1 3   7  5  o 723.8153 11.26759 123.2859       3.836438  123.4306       4.828037  123.0381       6.319166  724.1339 14.17367 722.7748 18.58607 1.359009       23.37381 
1 1 1 3   7  6  f 1119.723 12.64309 295.0942       6.659372  301.4927       9.571460  289.0908       9.271261  1131.398 17.98429 1107.900 17.78971 23.49768       25.29641 
1 1 1 3   7  7  o 891.7189 13.82436 187.2003       5.798856  194.8397       7.151275  172.5327       9.909077  909.5333 16.71458 855.1926 24.63201 54.34064       29.76766 
1 1 1 3   7  8  o 826.9122 11.72274 160.9642       4.559927  160.3109       6.418644  161.6300       6.479206  824.8831 16.54175 828.2623 16.62971 -3.379211      23.45584 
1 1 1 3   7  9  o 838.2664 12.10998 165.4661       4.775236  165.2208       6.802333  165.7044       6.705124  837.1413 17.27388 838.3964 17.00153 -1.255127      24.23714 
1 1 1 3   7  10 o 532.0685 14.80846 66.71364       3.706353  57.75863       6.538504  70.95337       4.498980  493.0125 28.31241 548.5100 17.43653 -55.49747      33.25095 
1 1 1 3   7  11 o 579.1714 12.79665 78.99847       3.486364  82.20541       5.026968  76.02651       4.839311  590.4262 18.09969 567.8018 18.11830 22.62439       25.60999 
1 1 1 3   7  12 o 703.9907 14.64715 116.7207       4.850531  115.8588       6.085317  118.2224       8.032493  701.1147 18.45121 707.7036 24.12846 -6.588867      30.37482 
1 1 1 3   7  13 o 951.3885 13.71036 213.0762       6.135867  222.5857       8.989846  204.7827       8.395468  971.9376 19.66276 932.3023 19.14339 39.63525       27.44255 
1 1 1 3   7  14 o 977.8505 14.18640 225.0810       6.525500  230.6726       9.425146  219.9330       9.043578  989.5032 20.24891 966.2218 19.89730 23.28143       28.38874 
1 1 1 3   7  15 f 288.4557 24.44608 19.75617       3.285890  22.14031       5.544744  18.46567       4.079382  303.3152 39.82382 277.8545 31.78277 25.46075       50.95175 
1 1 1 3   7  16 o 729.0907 14.59457 125.1377       5.005441  126.3855       7.217324  123.9814       6.947886  732.3718 20.94958 725.4094 20.36105 6.962463       29.21399 
1 1 1 3   7  17 o 384.7543 19.08908 34.87707       3.454918  31.72245       4.966223  37.83576       4.809528  365.3839 29.13622 399.6471 25.71989 -34.26318      38.86428 
1 1 1 3   7  18 o 297.5241 26.77303 21.06570       3.706917  20.53624       4.753197  21.88764       5.922249  292.4641 35.26077 300.6286 43.11219 -8.164581      55.69544 
1 1 1 3   7  19 o 846.1364 15.46281 168.6342       6.154574  170.4422       8.858540  166.9473       8.557053  850.0161 22.15469 841.3151 21.62201 8.700989       30.95709 
1 1 1 3   7  20 o 1147.382 19.34302 310.4608       10.44002  308.1132       12.68135  315.3984       18.39109  1142.297 23.60028 1153.312 33.89936 -11.01489      41.30545 
1 1 1 3   7  21 o 91.99902 39.38852 -0.1085124     3.037894  0.2098107      4.519122  -0.3709593     4.103370  114.1145 48.42510 105.2526 45.42941 8.861832       66.39896 
1 1 1 3   7  22 o 513.9042 18.23648 62.33905       4.408516  65.89729       6.554855  59.40019       5.957093  526.6616 26.54364 500.1732 25.40228 26.48846       36.74018 
1 1 1 3   7  23 o 228.3678 41.37186 12.91586       4.280718  19.40547       8.088174  10.39071       5.045268  274.5718 63.83223 202.6272 52.50460 71.94460       82.65160 
1 1 1 3   7  24 o 230.4531 38.08910 13.11681       3.984824  12.80947       5.061770  13.61772       6.462078  224.6494 49.25644 229.4538 59.40428 -4.804428      77.16907 
1 1 1 3   7  25 o 85.42944 38.60989 -1.618571      3.311486  -3.265158      4.728495  -0.3366753E-01 4.639081  97.02953 44.71380 112.3083 48.38973 -15.27881      65.88543 
1 1 1 3   7  26 o 155.0132 49.33551 5.986264       4.049702  8.613240       4.860263  0.2085315E-01  7.324061  182.3376 53.30329 138.1105 60.14940 44.22711       80.36909 
1 1 1 3   7  27 o 246.4141 37.50184 15.21135       4.209837  16.55470       7.276361  14.53543       5.161408  245.7815 62.72604 236.4444 48.04393 9.337097       79.01123 
1 1 1 3   7  28 o 341.4256 24.63378 28.18251       3.929796  33.58298       5.670122  23.19052       5.451465  369.0369 33.01143 303.2792 39.12442 65.75772       51.19057 
1 1 1 3   7  29 o 309.2844 27.50175 23.39766       3.959428  20.98927       5.745922  25.57526       5.463686  284.3287 44.41291 318.6219 37.15121 -34.29321      57.90267 
1 1 1 3   7  30 o 328.2896 26.72276 26.37557       4.090933  23.57074       5.787230  29.17695       5.783677  301.9289 41.87445 339.7030 36.78130 -37.77411      55.73450 
1 1 1 3   7  31 o 217.4742 38.32061 12.28794       3.776984  11.07582       5.380016  13.46592       5.303726  197.2018 55.59896 219.7973 52.09256 -22.59550      76.18976 
1 1 1 3   7  32 o 232.0330 35.96236 13.94332       3.798228  10.04738       5.344674  17.91848       5.398746  185.3724 56.32016 256.3513 46.48177 -70.97890      73.02407 
1 1 1 3   7  33 o 82.24412 37.77733 -1.632217      3.338133  -11.79846      5.961043  3.012291       4.029136  81.47225 40.45402 119.9598 47.69892 -38.48754      62.54370 
1 1 1 3   7  34 o 187.0679 48.73124 10.35130       4.331046  0.000000       0.000000  10.35130       4.331046  ?        ?        187.0679 48.73124 0.000000       48.73124 
1 1 1 3   7  35 o 85.84899 39.26329 -1.011914      3.552826  -0.7553508     5.482290  -1.197681      4.664989  104.8491 48.25370 96.24689 44.37421 8.602203       65.55524 
1 1 1 3   7  36 o 146.5610 49.00645 6.998020       3.971029  11.43282       5.878543  3.275862       5.385550  173.9745 59.61894 119.5308 51.81781 54.44364       78.99052 
1 1 1 3   9  0  o 580.1356 8.358500 79.18164       2.281010  82.38660       3.243032  76.04377       3.208909  591.6788 11.65188 568.4366 12.00068 23.24213       16.72671 
1 1 1 3   9  1  o 403.1850 8.242658 38.24478       1.563295  39.74435       2.322148  37.00183       2.114131  410.9475 12.01252 396.5288 11.33412 14.41873       16.51554 
1 1 1 3   9  2  o 360.0984 8.309810 30.50782       1.407607  33.17703       2.332866  28.97971       1.765129  375.4357 13.20946 350.9297 10.69269 24.50598       16.99481 
1 1 1 3   9  3  o 920.2606 12.69597 199.3321       5.495990  212.0987       10.70593  194.7637       6.404286  948.3854 23.99773 909.5247 14.96880 38.86072       28.28349 
1 1 1 3   9  4  o 1117.035 13.73624 293.7517       7.217788  293.6153       9.015547  293.9953       12.04555  1116.482 17.16608 1116.563 22.93369 -0.8117676E-01 28.64662 
1 1 1 3   9  5  o 754.0871 10.13387 133.8243       3.594728  139.3299       5.190021  128.7478       4.983682  769.2179 14.34334 739.4313 14.32792 29.78662       20.27365 
1 1 1 3   9  6  o 543.7650 11.20428 69.60319       2.865923  70.15459       4.434239  69.20762       3.755783  545.5970 17.27738 542.0508 14.72961 3.546204       22.70395 
1 1 1 3   9  7  o 96.47842 29.80444 2.197327       1.489050  1.943342       1.991317  2.519482       2.242692  97.41400 34.60478 107.5392 36.82441 -10.12519      50.53245 
1 1 1 3   9  8  o 823.0889 13.08449 159.5734       5.066088  152.4970       7.941961  164.4282       6.578237  803.7170 21.00658 835.1312 16.74501 -31.41418      26.86395 
1 1 1 3   9  9  o 388.9009 13.32803 35.62197       2.438227  41.87752       3.595315  30.29506       3.317736  421.4198 18.13647 357.8062 19.78861 63.61362       26.84251 
1 1 1 3   9  10 o 534.2065 12.45675 67.18851       3.130279  71.13744       4.521441  63.55347       4.338020  549.4124 17.49481 519.2851 17.75891 30.12726       24.92884 
1 1 1 3   9  11 o 308.7937 24.11486 22.62793       3.475070  22.57729       6.156520  22.65161       4.209835  305.2862 44.15303 308.2911 29.38486 -3.004883      53.03735 
1 1 1 3   9  12 o 166.9608 30.14880 6.782129       2.280712  6.380360       3.330702  7.136827       3.129519  161.3046 43.08138 170.2588 39.79028 -8.954117      58.64530 
1 1 1 3   9  13 o 1089.152 14.30487 279.2239       7.328949  282.0062       10.48630  276.5671       10.24723  1094.130 20.37438 1083.549 20.10428 10.58032       28.62337 
1 1 1 3   9  14 o 693.6410 14.21873 113.2506       4.639434  120.9678       6.754229  106.3569       6.383738  716.6150 20.03644 671.9370 20.19655 44.67804       28.44924 
1 1 1 3   9  15 o 541.5538 15.25406 69.04492       3.885944  74.71181       5.815242  64.47284       5.223387  563.0555 21.95570 523.0854 21.22806 39.97015       30.53986 
1 1 1 3   9  16 o 2303.671 23.18255 1251.194       25.12181  1281.167       36.57603  1224.427       34.56446  2328.095 33.39847 2276.331 32.27937 51.76392       46.44799 
1 1 1 3   9  17 o 609.3443 15.84119 87.44051       4.540669  90.63146       6.735252  84.78188       6.147828  619.9233 23.09652 599.6720 21.79408 20.25134       31.75581 
1 1 1 3   9  18 o 744.5115 15.18355 130.5440       5.317579  132.2337       7.720403  129.0189       7.334792  748.7780 21.91884 739.6964 21.07973 9.081604       30.41037 
1 1 1 3   9  19 o 562.8360 16.80702 74.64899       4.449815  79.63757       6.601598  70.49519       6.023972  580.7534 24.16507 546.4658 23.43423 34.28766       33.66175 
1 1 1 3   9  20 o 1055.922 16.05145 262.7847       7.972881  276.3847       11.89454  251.6890       10.74378  1081.651 23.37714 1032.432 22.12212 49.21912       32.18507 
1 1 1 3   9  21 f 893.8965 16.06204 188.4199       6.753943  196.8871       10.08633  181.5374       9.093654  912.4299 23.49981 876.4257 22.05738 36.00415       32.22994 
1 1 1 3   9  22 o 378.5818 21.52587 34.01373       3.817615  38.17258       5.814601  30.86268       5.061292  399.2554 31.20808 358.9529 30.25678 40.30249       43.46743 
1 1 1 3   9  23 o 701.3048 17.17298 116.2163       5.665286  115.4423       8.063413  116.9709       7.961409  697.2750 24.58360 702.0027 24.10915 -4.727722      34.43261 
1 1 1 3   9  24 o 510.7553 19.30848 61.80170       4.639063  59.43285       6.646745  64.05164       6.477769  497.9931 28.49203 517.6169 26.69495 -19.62387      39.04377 
1 1 1 3   9  25 o 247.4044 30.09103 14.90676       3.429868  17.02930       5.117146  13.17532       4.621731  260.3232 43.30905 227.8340 44.72043 32.48914       62.25425 
1 1 1 3   9  26 o 105.7594 42.63695 1.447918       3.265801  -0.4163548     4.825783  3.023118       4.435892  111.2715 48.63228 130.0248 50.54203 -18.75332      70.13983 
1 1 1 3   9  27 o 583.9656 18.95145 81.19531       5.205938  79.28886       7.576978  82.90004       7.164909  572.8984 28.11571 586.9478 25.95027 -14.04932      38.26107 
1 1 1 3   9  28 o 430.2355 22.09072 44.48533       4.455726  47.68721       6.557566  41.73917       6.072993  440.5157 31.86044 412.1587 31.56329 28.35696       44.84785 
1 1 1 3   9  29 f 311.7873 29.71439 23.94080       4.305337  21.44963       5.537074  27.74970       6.846647  288.6812 42.00686 326.4192 45.85419 -37.73798      62.18668 
1 1 1 3   9  30 o 164.8633 44.72942 7.268218       3.557061  6.113544       4.995537  8.455737       5.066092  154.3511 54.81190 175.0985 55.12060 -20.74741      77.73432 
1 1 1 3   9  31 o 122.7231 44.69685 3.537173       3.346273  5.914983       4.842352  1.363799       4.629510  150.6142 53.91367 115.7509 49.06023 34.86328       72.89437 
1 1 1 3   9  32 o 117.4768 47.03077 2.624297       3.943408  -2.013377      6.375526  5.497882       5.018546  113.3721 52.12438 145.6516 54.43610 -32.27954      75.36737 
1 1 1 3   9  33 o 116.1120 43.96535 3.153583       3.296722  -1.156064      5.727860  5.288445       4.031405  109.3634 49.95431 139.0194 49.25301 -29.65600      70.15192 
1 1 1 3   9  35 o 97.92881 45.37169 -1.269620      4.966220  0.000000       0.000000  -1.269620      4.966220  ?        ?        97.92881 45.37169 0.000000       45.37169 
1 1 1 3   11 0  o 1340.432 15.63526 423.3505       9.858690  481.2723       19.12419  402.3867       11.50528  1426.253 28.50474 1306.319 18.72313 119.9337       34.10390 
1 1 1 3   11 1  o 885.5287 10.20444 184.5763       4.250705  186.0206       5.970148  183.0914       6.053529  888.6615 14.28168 881.6079 14.59701 7.053589       20.42153 
1 1 1 3   11 2  o 1311.413 13.43476 405.0503       8.287789  431.8791       12.54070  384.2468       11.04304  1353.089 19.70271 1276.533 18.39023 76.55603       26.95176 
1 1 1 3   11 3  o 1404.085 16.78873 464.7087       11.08870  469.9763       20.09825  462.4036       13.29539  1408.524 30.33365 1399.913 20.18973 8.610718       36.43838 
1 1 1 3   11 4  o 674.0845 11.67535 106.9894       3.702145  114.8930       7.768177  104.6668       4.211137  697.3582 23.68066 666.6102 13.42945 30.74805       27.22359 
1 1 1 3   11 5  o 478.2440 8.958385 53.82886       2.015341  56.40744       2.824743  51.15549       2.876199  489.4283 12.26932 466.0471 13.11958 23.38123       17.96273 
1 1 1 3   11 6  o 748.7064 10.38387 131.9490       3.657129  128.6910       5.010366  135.6641       5.350274  739.1346 14.41042 758.8480 14.98828 -19.71338      20.79204 
1 1 1 3   11 7  o 1406.064 16.84237 465.8547       11.13980  469.0845       18.68327  464.0732       13.87614  1408.592 28.19670 1402.650 21.03052 5.941406       35.17580 
1 1 1 3   11 8  o 485.3538 11.27367 55.44399       2.573909  56.18485       3.623276  54.68925       3.657073  488.4254 15.77008 481.8656 16.13386 6.559784       22.56096 
1 1 1 3   11 9  o 483.3914 12.13630 54.99451       2.759653  56.84466       3.965420  53.25689       3.842937  491.2961 17.15839 475.5384 17.17941 15.75763       24.28050 
1 1 1 3   11 10 o 499.3125 13.66801 58.68100       3.210310  61.83774       4.250464  54.48871       4.898266  512.4440 17.63277 480.8843 21.65372 31.55975       27.92487 
1 1 1 3   11 11 o 745.6116 12.42850 130.8293       4.359139  131.8296       6.214617  129.8604       6.116071  748.2458 17.65635 742.6433 17.50745 5.602478       24.86478 
1 1 1 3   11 12 o 1141.166 14.34412 306.5166       7.700022  305.3739       10.93329  307.6411       10.84619  1138.611 20.41297 1142.849 20.17525 -4.238281      28.70070 
1 1 1 3   11 13 o 858.8266 15.19088 173.6287       6.137024  183.0856       10.25979  168.3598       7.658122  881.2824 24.74879 845.4762 19.25536 35.80621       31.35716 
1 1 1 3   11 14 o 533.1132 16.65508 66.92120       4.176721  67.42587       5.494988  66.23068       6.427601  534.9047 21.83841 529.9423 25.78404 4.962341       33.78954 
1 1 1 3   11 15 o 1238.397 18.53512 361.2612       10.79753  365.9308       13.16500  351.6647       18.87281  1245.930 22.46251 1219.842 32.88998 26.08789       39.82857 
1 1 1 3   11 16 o 1329.037 16.38877 415.9999       10.24596  430.9838       15.02529  402.9761       14.00808  1351.788 23.62898 1307.255 22.77975 44.53320       32.82143 
1 1 1 3   11 17 o 337.5652 28.87839 27.12181       4.541501  0.000000       0.000000  27.12181       4.541501  ?        ?        337.5652 28.87839 0.000000       28.87839 
1 1 1 3   11 18 o 1556.120 21.22788 571.2254       15.53885  612.3663       30.14477  556.3379       18.13369  1605.192 39.92232 1534.803 25.11680 70.38855       47.16614 
1 1 1 3   11 19 o 552.8863 16.51957 72.05045       4.296392  80.10429       6.462885  65.67265       5.751222  582.3245 23.59348 527.3047 23.18617 55.01971       33.07947 
1 1 1 3   11 20 o 410.7251 21.57993 39.96352       4.154760  44.94650       7.072681  37.33794       5.133965  433.2390 35.00359 396.0215 27.73414 37.21753       44.65908 
1 1 1 3   11 21 o 406.2011 24.46991 39.22590       4.653833  40.28447       5.557714  36.74198       8.513453  410.8037 28.94534 387.2980 47.74008 23.50571       55.82964 
1 1 1 3   11 22 o 181.6186 39.21293 8.227118       3.252006  9.136510       4.886945  7.504374       4.356660  190.2086 52.76645 173.4031 50.40184 16.80553       72.97015 
1 1 1 3   11 23 o 403.6855 20.93949 38.73610       3.962639  39.26016       5.795842  38.27610       5.430060  403.9919 30.72861 399.3255 29.10779 4.666412       42.32624 
1 1 1 3   11 24 f 245.8654 34.88150 14.86347       3.921126  17.13139       7.898836  14.12182       4.516992  253.3949 65.71336 237.3157 41.99946 16.07922       77.98846 
1 1 1 3   11 25 o 391.6980 21.59433 36.64093       3.963503  35.18497       5.798420  37.91783       5.430164  380.0991 32.74944 395.9819 29.36114 -15.88278      43.98412 
1 1 1 3   11 26 o 327.5040 24.87500 25.85950       3.803571  28.10687       5.844134  24.20798       5.009851  336.4640 37.56554 313.2729 34.57231 23.19107       51.05305 
1 1 1 3   11 27 o 156.7583 50.08101 6.311391       4.169979  12.54838       5.086744  -6.468491      7.281417  217.2095 50.70641 111.6933 52.76200 105.5162       73.17765 
1 1 1 3   11 28 o 286.0239 29.30988 20.09712       3.887844  15.42370       5.462680  24.89424       5.534506  240.6882 49.88688 314.2456 38.22792 -73.55733      62.84962 
1 1 1 3   11 29 o 116.3222 47.01725 2.072390       3.982464  1.333829       7.287830  2.386828       4.755242  138.8915 60.24473 125.2807 51.10392 13.61074       79.00024 
1 1 1 3   11 30 o 169.7387 49.47934 7.865325       4.193237  10.67479       7.805067  6.725400       4.971673  191.7388 68.46754 159.0107 54.80984 32.72807       87.70361 
1 1 1 3   11 31 o 263.9268 36.01613 17.90326       4.354731  18.26694       7.649323  17.72887       5.296872  244.2637 65.30992 256.4226 45.58331 -12.15891      79.64436 
1 1 1 3   11 32 o 111.2313 43.65979 2.494160       3.335280  4.631392       5.753711  1.412559       4.093131  141.3306 56.72835 109.4290 46.24170 31.90160       73.18743 
1 1 1 3   11 33 o 159.0495 50.88256 7.478426       4.303406  10.80559       5.796288  3.391796       6.423852  184.1417 59.06746 134.0642 57.33450 50.07753       82.31773 
1 1 1 3   11 34 o 83.30173 38.35818 -1.418702      3.470759  4.250892       5.421174  -5.356719      4.518103  130.9660 54.11910 80.16580 38.82909 50.80022       66.60762 
1 1 1 3   13 0  o 95.27750 23.79746 2.226400       1.063422  2.914517       1.334042  1.027003       1.761245  108.9318 26.32665 82.50888 31.90967 26.42297       41.36810 
1 1 1 3   13 1  o 944.4266 10.85547 209.9273       4.822655  215.0738       6.879492  204.9543       6.762541  955.6149 15.30397 932.8537 15.41087 22.76123       21.71880 
1 1 1 3   13 2  o 751.8870 9.642915 133.0354       3.410596  137.0811       4.828880  129.0084       4.817761  763.0489 13.45317 740.2188 13.83617 22.83014       19.29838 
1 1 1 3   13 3  o 1254.328 28.37723 371.5815       16.74366  371.5815       16.74366  0.000000       0.000000  1254.328 28.37723 ?        ?        0.000000       28.37723 
1 1 1 3   13 4  o 862.4457 12.64031 175.0761       5.128128  183.2343       10.41987  172.4686       5.890940  881.3401 25.13329 855.8905 14.63178 25.44965       29.08215 
1 1 1 3   13 5  o 381.8834 9.816497 34.31442       1.763424  44.08443       5.734061  33.29387       1.853237  431.2760 28.42361 376.1512 10.47368 55.12479       30.29191 
1 1 1 3   13 6  o 508.8195 11.93739 60.92611       2.857211  61.29608       6.651828  60.84240       3.163961  508.9869 27.88825 508.4383 13.22890 0.5486755      30.86679 
1 1 1 3   13 7  o 1222.992 13.45611 352.0178       7.741273  361.6502       11.18182  343.1516       10.72791  1239.203 19.18231 1207.117 18.89279 32.08533       26.92394 
1 1 1 3   13 8  o 912.4015 11.77418 195.8907       5.053427  193.1131       7.030598  198.8596       7.268594  905.7060 16.50197 919.0670 16.81256 -13.36102      23.55795 
1 1 1 3   13 9  o 1042.849 13.02313 255.9328       6.388603  255.5706       8.992594  256.3020       9.077705  1041.822 18.34941 1043.302 18.49680 -1.480347      26.05441 
1 1 1 3   13 10 o 567.0512 12.09695 75.66530       3.226767  80.84296       4.749109  71.22534       4.397790  585.9838 17.22889 550.0315 16.99721 35.95227       24.20206 
1 1 1 3   13 11 o 453.2105 13.46758 48.34119       2.871171  52.03839       4.215750  45.14268       3.921136  470.0714 19.06521 437.8207 19.03909 32.25067       26.94382 
1 1 1 3   13 12 o 1764.208 18.41677 732.9897       15.28384  722.3047       21.28919  744.3538       21.95544  1750.209 25.85830 1776.649 26.27067 -26.44019      36.86190 
1 1 1 3   13 13 o 1085.365 15.92027 277.3607       8.128222  288.6742       13.75428  271.2893       10.07587  1106.265 26.43075 1073.099 19.96060 33.16565       33.12114 
1 1 1 3   13 14 o 399.4139 16.25467 37.56708       3.054010  37.75906       4.350087  37.38048       4.288615  399.5101 23.24784 397.5181 23.03330 1.991974       32.72606 
1 1 1 3   13 15 o 312.1810 19.71160 23.05819       2.879796  22.08412       4.127087  23.98250       4.020304  304.3852 29.18144 317.5757 27.17344 -13.19052      39.87421 
1 1 1 3   13 16 o 995.0235 21.34054 233.4788       9.988680  233.4788       9.988680  0.000000       0.000000  995.0235 21.34054 ?        ?        0.000000       21.34054 
1 1 1 3   13 17 f 1091.832 15.60479 280.8400       8.014622  290.9821       11.69649  271.8634       11.00396  1110.414 22.39242 1073.410 21.79285 37.00403       31.24658 
1 1 1 3   13 18 o 142.4184 41.04675 4.941972       2.900459  8.407290       4.248521  1.916993       3.969424  184.0324 48.42211 119.8838 47.44652 64.14857       67.79287 
1 1 1 3   13 19 o 487.8339 23.69553 56.28180       5.437604  0.000000       0.000000  56.28180       5.437604  ?        ?        487.8339 23.69553 0.000000       23.69553 
1 1 1 3   13 20 o 227.8268 32.40652 12.59942       3.375124  12.04519       5.634386  12.90959       4.215046  218.2282 54.92720 228.7933 40.65366 -10.56509      68.33533 
1 1 1 3   13 21 o 380.4760 22.89441 34.43122       4.078487  40.29573       5.644219  28.02319       5.899982  410.2959 29.43975 339.7398 37.54516 70.55609       47.71098 
1 1 1 3   13 22 o 469.1120 27.27257 52.61079       5.992298  52.61079       5.992298  0.000000       0.000000  469.1120 27.27257 ?        ?        0.000000       27.27257 
1 1 1 3   13 23 o 455.6337 23.43290 49.52309       5.005395  46.46033       5.904858  57.34245       9.434929  439.7303 28.70402 483.2153 41.92315 -43.48505      50.80819 
1 1 1 3   13 24 o 218.1930 33.71928 11.76344       3.349311  12.44483       4.947463  11.18696       4.550660  219.5226 49.13627 208.4398 47.47316 11.08278       68.32330 
1 1 1 3   13 25 o 287.6457 37.03913 20.54218       4.895296  0.000000       0.000000  20.54218       4.895296  ?        ?        287.6457 37.03913 0.000000       37.03913 
1 1 1 3   13 26 o 352.8528 23.15495 29.93916       3.822000  23.03527       5.355703  37.10389       5.455938  303.3941 38.38544 390.2184 29.95151 -86.82428      48.68814 
1 1 1 3   13 27 o 328.7717 24.95726 26.16017       3.830959  18.42494       5.349221  34.30516       5.489074  267.4871 44.04613 373.7730 31.51313 -106.2859      54.15847 
1 1 1 3   13 28 o 341.0616 31.10715 28.67710       4.935806  30.11022       5.826004  25.03270       9.290582  346.7670 36.25199 294.1328 68.43501 52.63425       77.44389 
1 1 1 3   13 29 f 146.8445 44.48982 5.658759       3.338557  8.346639       4.765515  3.068085       4.678550  174.7074 53.20380 129.0865 51.37686 45.62090       73.96098 
1 1 1 3   13 30 o 167.2078 42.68624 7.494940       3.369000  6.509528       4.683890  8.551221       4.849391  155.8480 53.21820 174.8190 53.74978 -18.97101      75.63873 
1 1 1 3   13 31 o 307.8263 27.32820 23.52015       3.916031  23.13615       6.790298  23.71152       4.793483  286.8309 52.25124 304.8300 34.00877 -17.99902      62.34411 
1 1 1 3   13 32 o 116.0796 43.38241 3.187932       3.187310  -10.24079      5.192400  11.30726       4.037485  76.70147 38.02895 201.9800 43.75954 -125.2785      57.97498 
1 1 1 3   13 33 o 96.52934 41.65088 0.7389253      3.446943  -2.241974      4.744020  4.072533       5.016839  94.38647 43.93947 130.1933 52.71953 -35.80685      68.62963 
1 1 1 3   13 34 o 144.3881 47.90343 6.347361       3.796250  3.275862       5.402570  9.343045       5.335476  123.5204 52.69613 166.4288 56.79952 -42.90842      77.47946 
1 1 1 3   15 0  o 530.4865 11.51120 66.21695       2.872527  73.51368       5.579785  63.58577       3.350649  558.6712 21.23205 519.7948 13.70338 38.87640       25.27019 
1 1 1 3   15 1  o 812.1882 10.19094 155.2008       3.893500  162.6680       5.586409  148.1474       5.429428  831.3665 14.28469 793.3838 14.54794 37.98267       20.38860 
1 1 1 3   15 2  o 1237.480 14.75560 360.4207       8.589429  387.5214       11.40548  324.9109       13.05563  1282.883 18.89981 1174.317 23.63432 108.5658       30.26192 
1 1 1 3   15 3  o 234.6107 16.19634 13.01813       1.776503  0.000000       0.000000  13.01813       1.776503  ?        ?        234.6107 16.19634 0.000000       16.19634 
1 1 1 3   15 4  o 1724.234 25.20096 700.6130       20.44008  704.8157       29.05017  696.4923       28.76522  1727.696 35.74472 1717.491 35.60443 10.20532       50.45156 
1 1 1 3   15 5  o 666.1351 18.22502 104.4737       5.710835  96.61118       7.874258  113.1986       8.294824  640.2333 26.14581 693.0575 25.44301 -52.82416      36.48219 
1 1 1 3   15 6  o 427.0746 31.02654 43.25209       6.190563  0.000000       0.000000  43.25209       6.190563  ?        ?        427.0746 31.02654 0.000000       31.02654 
1 1 1 3   15 7  f 502.0082 11.83671 59.30000       2.795189  68.04400       7.549345  57.91085       3.009043  536.2610 30.04802 496.0726 12.89477 40.18842       32.69799 
1 1 1 3   15 8  o 1473.105 15.40497 510.7992       10.67491  511.9172       15.08753  509.6786       15.10568  1474.138 21.75759 1470.903 21.83168 3.234619       30.82231 
1 1 1 3   15 9  o 1437.204 17.35143 486.3354       11.73067  479.3694       14.52415  499.4055       19.89467  1426.455 21.64529 1454.999 29.06730 -28.54431      36.24123 
1 1 1 3   15 10 o 381.4895 16.47719 34.26463       2.956890  33.15382       3.260065  39.41736       7.021433  375.2060 18.47086 406.6650 37.11343 -31.45905      41.45576 
1 1 1 3   15 11 o 1351.721 15.21135 430.1486       9.672174  427.4139       13.58026  432.9639       13.77894  1346.799 21.43562 1355.495 21.60970 -8.695557      30.43789 
1 1 1 3   15 12 f 515.7346 14.03339 62.61330       3.404537  62.54460       5.274144  62.66238       4.457671  515.1393 21.76497 515.7778 18.37283 -0.6384888     28.48288 
1 1 1 3   15 13 o 582.8245 13.60109 79.96555       3.728902  85.52699       5.692819  75.78632       4.934937  602.4333 20.08857 567.1750 18.49674 35.25824       27.30715 
1 1 1 3   15 14 o 798.1877 13.49844 149.9954       5.068250  158.0247       7.489309  143.2114       6.884058  818.8394 19.44347 779.5699 18.77242 39.26947       27.02688 
1 1 1 3   15 15 o 1502.633 19.31207 532.2845       13.65057  544.5629       17.47772  513.0797       21.85849  1518.810 24.46313 1472.454 31.55798 46.35657       39.92932 
1 1 1 3   15 16 o 1177.395 15.38717 326.6068       8.522166  322.9479       11.91744  330.4359       12.19157  1169.802 21.65714 1183.240 21.90368 -13.43811      30.80265 
1 1 1 3   15 17 o 356.9146 20.07761 30.16018       3.357204  32.34932       4.620166  27.71124       4.886640  368.7635 26.81788 340.4935 30.84410 28.27002       40.87246 
1 1 1 3   15 18 o 481.8071 20.28612 54.83325       4.597710  65.90369       10.12041  51.95423       5.161047  523.1239 41.46644 468.6561 23.41070 54.46777       47.61855 
1 1 1 3   15 19 o 482.6302 16.95310 54.98319       3.848866  51.37863       5.492199  58.46172       5.395331  464.8656 25.21021 496.9022 23.08224 -32.03656      34.18105 
1 1 1 3   15 20 o 102.0228 40.16288 1.482534       2.830164  5.853384       4.174568  -2.235109      3.850015  156.1692 50.13134 90.55866 41.20554 65.61050       64.89259 
1 1 1 3   15 21 o 698.8572 28.21765 116.4982       9.276381  0.000000       0.000000  116.4982       9.276381  ?        ?        698.8572 28.21765 0.000000       28.21765 
1 1 1 3   15 22 o 568.9619 17.13529 76.60887       4.586103  78.21294       6.638231  75.14418       6.343277  573.0170 24.62723 561.8408 24.00110 11.17621       34.38827 
1 1 1 3   15 23 o 252.2776 29.21915 15.47491       3.403304  13.87835       4.830075  17.04909       4.796103  233.4584 45.61768 261.3637 40.30576 -27.90535      60.87304 
1 1 1 3   15 24 o 261.0101 27.70281 16.54565       3.349349  14.60816       4.898776  18.24637       4.589705  238.9674 45.23573 271.0881 36.95483 -32.12064      58.41173 
1 1 1 3   15 25 o 310.6097 24.10534 23.24796       3.494480  24.30429       5.108460  22.31895       4.790710  313.4982 35.25201 300.5870 34.50680 12.91116       49.32974 
1 1 1 3   15 26 o 244.7234 29.07566 14.69201       3.281648  17.36889       4.740757  12.22927       4.547195  262.0666 39.69947 216.5126 46.06267 45.55397       60.80968 
1 1 1 3   15 27 o 172.1214 43.88471 7.769079       3.564024  2.932619       4.716081  14.20928       5.442106  129.8039 51.60769 230.2590 51.53008 -100.4551      72.92944 
1 1 1 3   15 28 f 312.2640 28.20059 23.91911       4.097676  16.51903       6.426949  28.98766       5.318986  243.8976 57.03648 341.1833 33.57643 -97.28564      66.18562 
1 1 1 3   15 29 o 93.10367 39.96594 0.2777142      3.142336  1.594685       4.359822  -1.146029      4.533112  115.5805 48.20966 101.3725 45.55310 14.20802       66.32689 
1 1 1 3   15 30 o 102.2333 41.55242 1.550547       3.129544  -0.1929548     5.317800  2.474323       3.870829  112.9730 50.14298 116.5986 46.62542 -3.625603      68.47078 
1 1 1 3   15 31 o 112.3634 42.33551 2.841110       3.047351  -1.266944      5.052812  5.189516       3.820337  103.9346 47.25839 139.0220 48.03889 -35.08736      67.38762 
1 1 1 3   15 32 o 283.7979 31.07178 20.67475       4.080278  21.30500       5.805336  20.05945       5.736056  274.8317 46.56745 265.4917 47.68215 9.339996       66.64919 
1 1 1 3   15 33 o 119.0559 45.53655 3.608181       3.559102  8.293698       5.168473  -0.6174198     4.908262  160.6159 55.85439 101.8892 46.42451 58.72672       72.62884 
1 1 1 3   17 0  o 1792.488 17.49832 756.4345       14.75441  790.2225       21.84289  728.0811       20.00926  1831.111 25.35865 1757.799 24.19873 73.31226       35.05196 
1 1 1 3   17 1  o 529.6263 9.547911 65.99388       2.378742  70.18160       3.284404  61.37381       3.449783  546.1096 12.78520 510.6582 14.36125 35.45132       19.22776 
1 1 1 3   17 2  o 541.3770 9.074801 68.95295       2.311033  69.50688       3.064021  68.22198       3.519756  543.4941 11.98471 538.4047 13.89743 5.089417       18.35134 
1 1 1 3   17 3  o 742.0392 14.30332 129.5927       4.992672  129.5927       4.992672  0.000000       0.000000  742.0392 14.30332 ?        ?        0.000000       14.30332 
1 1 1 3   17 4  o 1865.862 27.04918 820.8195       23.74121  859.3937       35.20498  788.6445       32.15253  1906.658 39.25202 1826.914 37.41345 79.74390       54.22626 
1 1 1 3   17 5  o 2162.615 43.23600 1107.016       43.98391  0.000000       0.000000  1107.016       43.98391  ?        ?        2162.615 43.23600 0.000000       43.23600 
1 1 1 3   17 6  o 1692.273 25.73382 675.1413       20.48537  709.8693       30.39998  646.2545       27.72573  1733.028 37.29052 1653.904 35.63720 79.12427       51.58094 
1 1 1 3   17 7  o 476.7088 22.63665 53.55101       5.076153  54.84543       7.314494  52.34840       7.050320  480.8647 32.52774 469.7950 32.09504 11.06964       45.69623 
1 1 1 3   17 8  o 1745.519 37.57888 720.5708       30.85585  720.5708       30.85585  0.000000       0.000000  1745.519 37.57888 ?        ?        0.000000       37.57888 
1 1 1 3   17 9  o 1161.120 13.21415 317.3284       7.217480  312.7500       10.02239  322.2604       10.40232  1152.313 18.48978 1169.664 18.90601 -17.35156      26.44445 
1 1 1 3   17 10 o 439.8043 10.98665 45.51905       2.272972  48.10547       3.276431  43.11944       3.155891  452.0084 15.40938 427.9349 15.67743 24.07352       21.98252 
1 1 1 3   17 11 o 244.2565 21.66278 14.17462       2.463199  13.96101       2.679123  15.34186       6.262714  242.1380 23.82997 248.8239 54.97156 -6.685852      59.91444 
1 1 1 3   17 12 o 880.8962 15.53750 182.7497       6.438357  200.1784       13.72906  177.8362       7.289639  920.0421 31.72223 868.7929 17.83694 51.24915       36.39309 
1 1 1 3   17 13 o 430.8485 13.99791 43.71281       2.836986  47.22732       4.077779  40.41594       3.949503  447.5887 19.36757 414.0101 20.27974 33.57867       28.04230 
1 1 1 3   17 14 o 540.5157 17.28644 68.86012       4.395246  80.05351       9.789774  66.03429       4.918857  579.6672 36.08141 529.1387 19.76175 50.52850       41.13873 
1 1 1 3   17 15 o 591.5867 14.07870 82.44961       3.917872  94.24248       5.965366  73.50425       5.195488  631.9468 20.06722 558.1273 19.78900 73.81946       28.18329 
1 1 1 3   17 16 o 412.3668 16.04193 40.09530       3.111784  40.25842       4.513053  39.94747       4.296392  411.9730 23.38439 410.5259 22.33216 1.447113       32.33504 
1 1 1 3   17 17 o 451.2827 15.87157 48.03860       3.369286  48.69386       4.772422  47.38745       4.757392  453.7065 22.36117 446.9749 22.70098 6.731567       31.86466 
1 1 1 3   17 18 o 369.6374 18.06339 32.27696       3.140831  28.03918       4.396258  36.69503       4.488798  342.4620 27.52232 392.6757 24.42211 -50.21371      36.79562 
1 1 1 3   17 19 o 465.8577 16.98489 51.27583       3.722078  54.19891       5.406446  48.64208       5.131905  477.2556 24.16065 452.0523 24.22160 25.20337       34.21144 
1 1 1 3   17 20 o 659.5063 15.70664 102.7634       4.872721  89.81643       6.587928  118.4016       7.240314  615.0383 22.77075 706.4412 21.78773 -91.40283      31.51527 
1 1 1 3   17 21 o 66.38631 31.55966 -3.281372      2.685336  -0.3881621     3.858430  -5.999168      3.739634  100.5829 43.73191 72.82236 35.28574 27.76052       56.19220 
1 1 1 3   17 22 o 282.5717 23.39655 19.15801       3.081948  16.25839       4.426735  21.88557       4.293389  255.9593 37.91230 300.0724 30.85582 -44.11311      48.88174 
1 1 1 3   17 23 o 96.81604 39.08920 1.144075       2.749329  2.226344       4.000637  0.1755232      3.784626  119.9990 47.58814 102.6285 43.95224 17.37052       64.77986 
1 1 1 3   17 24 o 264.8964 26.36418 17.01179       3.241537  11.66422       4.475644  22.91171       4.701113  212.2379 46.14524 305.3353 33.26907 -93.09744      56.88773 
1 1 1 3   17 25 o 86.26820 37.76402 -0.4189500     2.920107  -1.890123      4.167582  0.9998608      4.092744  95.01704 43.09397 111.1403 46.56254 -16.12324      63.44415 
1 1 1 3   17 26 o 72.12448 34.17178 -3.402877      3.097121  -1.998122      4.189834  -5.095125      4.598633  94.42854 42.97381 86.73862 41.25402 7.689919       59.57048 
1 1 1 3   17 27 o 303.4283 23.37290 22.27786       3.310408  23.13178       4.807444  21.50784       4.565192  304.5475 34.14545 293.7938 33.63921 10.75375       47.93233 
1 1 1 3   17 28 o 157.1165 40.15204 6.488907       2.978661  5.963647       4.345377  6.954480       4.091043  151.4376 51.26126 160.9542 49.34886 -9.516602      71.15495 
1 1 1 3   17 29 o 168.2835 41.31743 7.563867       3.246687  11.70928       5.350689  5.148208       4.084548  202.6665 54.80683 141.5961 49.62995 61.07040       73.93863 
1 1 1 3   17 30 o 187.0078 36.80721 9.208396       3.122599  10.73722       5.117916  8.301781       3.941179  191.8110 54.27987 172.2511 47.22828 19.55984       71.95009 
1 1 1 3   17 31 o 320.4890 28.58062 25.88640       4.263562  26.99762       6.191195  24.88407       5.880009  314.9248 42.90951 302.6230 42.47509 12.30185       60.37681 
1 1 1 3   17 32 o 168.4350 54.23793 8.876338       4.883615  0.000000       0.000000  8.876338       4.883615  ?        ?        168.4350 54.23793 0.000000       54.23793 
1 1 1 3   19 0  o 1500.826 15.27035 530.2551       10.78074  567.0443       16.25048  501.3361       14.40783  1551.242 22.26985 1458.750 20.99657 92.49146       30.60723 
1 1 1 3   19 1  o 1326.347 19.99440 414.3956       12.47484  468.7872       20.47462  382.2830       15.73213  1409.223 30.88637 1273.217 26.26733 136.0065       40.54554 
1 1 1 3   19 2  o 1445.576 14.89680 491.9179       10.12986  545.4749       15.81054  454.6233       13.19354  1521.457 22.09111 1389.202 20.18955 132.2555       29.92717 
1 1 1 3   19 3  o 339.0289 10.34538 27.04551       1.649881  29.17428       2.258717  24.61044       2.415759  352.0643 13.63862 323.3145 15.88397 28.74982       20.93591 
1 1 1 3   19 4  o 1153.913 20.60319 313.7094       11.18348  322.5327       16.31327  305.8859       15.36127  1168.957 29.66697 1138.522 28.68247 30.43506       41.26516 
1 1 1 3   19 5  o 609.0822 20.27274 87.40498       5.808416  87.99049       8.493605  86.89062       7.960927  610.5290 29.57443 606.8235 27.88893 3.705505       40.65021 
1 1 1 3   19 6  o 1002.477 20.61200 236.8070       9.719940  266.6766       15.01881  215.2794       12.75025  1062.715 30.04343 955.0309 28.38128 107.6838       41.32922 
1 1 1 3   19 7  o 811.0922 20.75612 155.0402       7.919281  162.7527       11.48012  148.0381       10.93860  830.1915 29.39672 791.7763 29.36906 38.41522       41.55368 
1 1 1 3   19 8  o 204.7691 45.33952 10.34730       4.252001  15.65696       6.197140  5.624257       5.844790  251.5296 53.99088 165.6437 59.23838 85.88588       80.15112 
1 1 1 3   19 9  o 345.8998 30.68656 28.50235       4.941228  23.55232       6.970664  33.50179       7.005369  310.7477 49.33530 373.6357 40.50650 -62.88800      63.83375 
1 1 1 3   19 10 o 438.5013 11.13980 45.25845       2.297829  52.19977       7.940241  44.62400       2.400545  467.8970 36.36123 435.3999 11.72066 32.49713       38.20358 
1 1 1 3   19 11 o 798.8380 12.13390 150.2378       4.559619  151.6350       7.113681  149.2635       5.940328  801.9925 18.85623 795.9690 15.86518 6.023499       24.64267 
1 1 1 3   19 12 o 889.4862 12.34889 186.3011       5.166975  197.3137       7.710342  177.3241       6.961338  914.8196 17.91714 867.3405 17.06215 47.47919       24.74149 
1 1 1 3   19 13 o 1190.792 14.35348 334.1002       8.040118  338.4640       11.54454  329.9900       11.20399  1197.448 20.49512 1182.435 20.14309 15.01294       28.73664 
1 1 1 3   19 14 o 1149.773 14.64838 311.5839       7.922661  338.7568       12.05507  290.9240       10.51153  1197.437 21.40167 1109.967 20.13200 87.46997       29.38246 
1 1 1 3   19 15 o 668.8174 16.59252 105.5352       5.220225  105.1724       10.97614  105.6413       5.934347  663.1627 35.31243 668.8517 18.86139 -5.689026      40.03399 
1 1 1 3   19 16 o 345.7109 17.05988 28.21558       2.774331  27.66826       3.956367  28.74508       3.891431  340.7448 24.85442 347.5045 23.95188 -6.759705      34.51717 
1 1 1 3   19 17 o 275.8770 21.85129 18.13720       2.812511  16.33769       4.364588  19.41505       3.677954  258.5213 36.94077 284.3716 27.85235 -25.85031      46.26417 
1 1 1 3   19 18 o 254.6395 29.28193 15.66573       3.443630  14.35293       3.860481  20.77884       7.618759  242.2257 34.88692 284.4174 58.88448 -42.19171      68.44326 
1 1 1 3   19 19 o 231.0111 24.82198 12.84204       2.655052  16.20789       3.837197  9.750486       3.677514  258.0233 32.32382 197.0168 41.01453 61.00648       52.22089 
1 1 1 3   19 20 o 119.0975 38.98473 3.341315       2.517377  6.787719       3.628970  0.1446283      3.495025  163.6328 45.49793 99.23692 42.36145 64.39590       62.16553 
1 1 1 3   19 21 o 154.0686 43.57672 6.010565       3.299448  -4.554102      7.537888  8.514424       3.669667  122.4169 56.42820 182.6140 43.36502 -60.19704      71.16647 
1 1 1 3   19 22 o 268.0584 23.43137 17.27690       2.924896  19.60316       4.077223  14.81043       4.198290  283.4387 31.09032 243.7069 37.84932 39.73175       48.98141 
1 1 1 3   19 23 o 370.3946 21.44433 32.80979       3.720356  27.46136       5.563047  37.13728       5.004001  333.6659 36.01414 392.1898 27.29397 -58.52399      45.18826 
1 1 1 3   19 24 o 139.3933 46.23834 4.750543       3.536982  4.163723       3.987265  6.917361       7.661854  135.8923 48.89291 175.2046 66.86005 -39.31230      82.82984 
1 1 1 3   19 25 o 314.3679 21.67597 23.74535       3.185841  25.96293       4.594105  21.69104       4.421754  325.5952 30.34487 296.6249 32.20717 28.97034       44.25057 
1 1 1 3   19 26 o 367.7584 21.26882 32.50192       3.663677  29.77695       5.121102  35.35871       5.243511  347.4703 31.67934 379.9489 29.57072 -32.47861      43.33599 
1 1 1 3   19 27 o 90.80307 39.92818 -0.4047030     3.296903  0.6700357      6.272958  -0.8148776     3.875300  127.6655 55.63145 95.81289 42.65137 31.85265       70.09991 
1 1 1 3   19 28 o 101.6463 41.03809 1.549103       3.030205  4.485732       4.963124  -0.1961228     3.826101  140.1002 53.72860 98.14440 43.08823 41.95583       68.87205 
1 1 1 3   19 29 o 100.0850 39.99957 1.678405       2.847097  4.910821       4.460057  -0.5446988     3.698764  139.4765 51.47723 93.69977 41.69271 45.77673       66.24339 
1 1 1 3   19 30 o 130.1339 47.71461 4.330716       3.822547  8.460167       4.906810  -2.044293      6.096682  169.0012 54.36096 109.5412 50.58221 59.45995       74.25412 
1 1 1 3   21 0  o 310.4018 13.58296 22.68269       1.983298  24.81264       2.330720  17.09275       3.775798  324.6086 15.26373 267.2261 30.58827 57.38254       34.18514 
1 1 1 3   21 1  o 388.8539 16.81796 35.61539       3.076303  0.000000       0.000000  35.61539       3.076303  ?        ?        388.8539 16.81796 0.000000       16.81796 
1 1 1 3   21 2  o 1392.789 16.54543 456.9035       10.84009  495.3215       14.45611  407.5506       16.38480  1449.505 21.20129 1313.964 26.50868 135.5411       33.94414 
1 1 1 3   21 3  o 1089.145 12.36894 279.2304       6.337054  285.1920       9.036443  273.4615       8.889264  1100.267 17.45942 1077.394 17.53970 22.87366       24.74818 
1 1 1 3   21 5  o 1022.589 20.63430 246.5487       9.925675  256.5696       14.46585  237.6338       13.64421  1041.834 29.51727 1002.751 28.92584 39.08344       41.32763 
1 1 1 3   21 6  o 453.1513 24.66234 48.61918       5.237316  48.75149       7.366711  48.48395       7.447314  452.2799 34.89534 450.9456 35.39228 1.334259       49.70209 
1 1 1 3   21 7  o 1013.846 30.04804 243.1927       14.33037  243.1927       14.33037  0.000000       0.000000  1013.846 30.04804 ?        ?        0.000000       30.04804 
1 1 1 3   21 8  o 1100.223 21.89682 285.6788       11.33264  305.8859       16.91836  269.2331       15.26274  1136.369 31.64970 1066.401 30.42586 69.96851       43.90257 
1 1 1 3   21 9  o 334.9289 31.11654 26.80594       4.846415  33.94769       7.084265  20.52319       6.644577  375.3761 40.77559 288.5051 50.81668 86.87097       65.15353 
1 1 1 3   21 10 o 279.5272 53.03348 19.39953       6.718263  0.000000       0.000000  19.39953       6.718263  ?        ?        279.5272 53.03348 0.000000       53.03348 
1 1 1 3   21 11 o 297.2393 35.07729 21.30256       4.810083  14.55410       6.351114  30.38050       7.366166  240.4475 57.01659 353.2538 45.37790 -112.8063      72.87006 
1 1 1 3   21 12 o 537.0599 12.03795 67.94289       3.041197  64.23901       8.516723  68.48419       3.255849  518.1194 35.15203 539.1389 12.83791 -21.01941      37.42295 
1 1 1 3   21 13 o 675.8048 11.70556 107.5911       3.721199  115.6262       5.377519  100.2081       5.154691  700.0567 16.32975 651.6519 16.81581 48.40479       23.43996 
1 1 1 3   21 14 f 684.0203 11.85747 110.2487       3.815316  103.7226       5.306195  117.2344       5.489833  662.8232 17.01830 704.7451 16.55990 -41.92194      23.74559 
1 1 1 3   21 15 o 468.2189 12.93853 51.68901       2.849725  57.37685       4.345536  47.39730       3.774720  492.6471 18.75159 447.8586 17.91739 44.78848       25.93559 
1 1 1 3   21 16 o 388.9284 16.02141 35.72771       2.931162  36.20690       4.703948  35.42355       3.747714  389.3974 25.82689 386.1844 20.70559 3.212982       33.10211 
1 1 1 3   21 17 o 641.7559 13.73082 97.20417       4.145107  99.09239       5.964883  95.44074       5.764390  646.7974 19.60489 634.8362 19.30289 11.96118       27.51278 
1 1 1 3   21 18 o 101.4390 36.72510 2.094766       2.254227  0.4398405E-01  3.307946  3.872821       3.080146  96.11104 41.12426 128.9896 43.16045 -32.87852      59.61568 
1 1 1 3   21 19 o 335.7166 26.82887 27.10179       4.201469  27.10179       4.201469  0.000000       0.000000  335.7166 26.82887 ?        ?        0.000000       26.82887 
1 1 1 3   21 20 f 345.3946 18.77944 28.38254       3.039712  22.84618       4.247036  34.19730       4.352507  307.0016 29.78341 377.7457 24.62936 -70.74411      38.64786 
1 1 1 3   21 21 o 241.7983 24.09790 14.09319       2.704441  12.30756       3.884808  15.77236       3.767215  221.5668 38.68043 253.6223 32.31031 -32.05548      50.39972 
1 1 1 3   21 22 o 335.8590 26.49581 27.22317       4.152046  0.000000       0.000000  27.22317       4.152046  ?        ?        335.8590 26.49581 0.000000       26.49581 
1 1 1 3   21 23 o 94.91387 37.63927 1.308177       2.502678  2.721514       3.532208  -0.1166021     3.546478  119.3503 45.43214 97.26584 42.10769 22.08447       61.94463 
1 1 1 3   21 24 o 98.36778 38.52514 1.568987       2.592150  2.310200       3.710776  0.8626106      3.622524  116.9168 46.00065 104.6441 43.82142 12.27273       63.53248 
1 1 1 3   21 25 o 179.8459 41.05012 8.409328       3.396321  8.201970       3.910647  9.045779       6.851247  175.9874 46.52955 183.9919 64.28909 -8.004486      79.36048 
1 1 1 3   21 26 o 78.06548 34.64335 -0.6328641     2.537292  1.566594       3.654750  -2.679268      3.525296  109.1537 44.69517 81.46402 37.90823 27.68973       58.60624 
1 1 1 3   21 27 o 111.2479 39.48465 2.879763       2.591996  4.258128       3.708992  1.564016       3.623765  132.1078 47.19553 108.0149 44.39895 24.09286       64.79726 
1 1 1 3   21 28 o 114.9997 44.52789 2.729261       3.432707  0.000000       0.000000  2.729261       3.432707  ?        ?        114.9997 44.52789 0.000000       44.52789 
1 1 1 3   21 29 o 203.5681 32.61752 10.70518       3.017953  13.48098       4.992325  9.106598       3.788586  217.0755 49.93065 180.6767 44.79802 36.39883       67.08154 
1 1 1 3   23 0  o 225.4153 17.32206 12.04852       1.822708  12.83636       2.090832  9.554103       3.720343  232.4933 19.29216 196.6557 41.52000 35.83766       45.78316 
1 1 1 3   23 1  o 167.2740 16.24405 6.656175       1.262063  6.492295       1.491308  7.069718       2.369003  164.7438 19.63025 170.2031 30.71924 -5.459335      36.45571 
1 1 1 3   23 2  o 1606.090 16.30808 607.9540       12.32089  633.9683       18.08870  585.4390       16.82824  1638.293 23.47179 1574.551 22.72022 63.74219       32.66701 
1 1 1 3   23 3  o 754.8726 11.27013 134.1600       4.001953  140.5767       6.273980  129.7583       5.196342  772.1910 17.27226 742.1085 14.88542 30.08258       22.80146 
1 1 1 3   23 4  o 159.1076 45.15630 6.209808       3.536710  4.256837       5.188913  7.904281       4.833323  149.5833 55.46119 179.8304 53.31778 -30.24706      76.93327 
1 1 1 3   23 5  o 607.1189 20.92852 87.01776       5.976977  94.17361       8.857180  81.03449       8.099051  630.3723 29.86957 584.0590 29.57510 46.31329       42.03424 
1 1 1 3   23 6  o 301.4103 44.03678 22.17004       6.059489  22.17004       6.059489  0.000000       0.000000  301.4103 44.03678 ?        ?        0.000000       44.03678 
1 1 1 3   23 7  o 786.0223 21.12918 145.9295       7.812442  151.1593       11.30048  141.1415       10.81258  798.2549 30.09443 771.4146 29.79698 26.84039       42.35015 
1 1 1 3   23 8  o 139.6704 50.06736 4.038802       4.177479  4.057670       6.086452  4.021998       5.744097  154.5700 59.44642 151.6830 57.88928 2.886963       82.97617 
1 1 1 3   23 9  o 603.8185 34.84415 87.15815       9.854997  0.000000       0.000000  87.15815       9.854997  ?        ?        603.8185 34.84415 0.000000       34.84415 
1 1 1 3   23 10 o 548.7633 24.83672 71.34013       6.411337  75.65399       8.778679  66.40904       9.385732  562.5548 33.32227 525.5718 38.22537 36.98297       50.71048 
1 1 1 3   23 11 o 419.2809 26.80001 41.88961       5.258142  33.23425       7.033783  52.85375       7.916510  369.8202 41.12906 468.8374 36.17538 -99.01727      54.77461 
1 1 1 3   23 12 o 794.3255 32.66043 150.5945       12.20365  150.5945       12.20365  0.000000       0.000000  794.3255 32.66043 ?        ?        0.000000       32.66043 
1 1 1 3   23 13 o 352.5511 32.44496 29.93776       5.320319  30.05351       7.426121  29.81570       7.625994  349.0725 46.37249 347.1151 47.98740 1.957458       66.73228 
1 1 1 3   23 14 o 626.6830 10.25319 92.53214       3.022571  89.41229       4.334332  95.48563       4.217196  615.4209 14.97203 636.1132 14.09354 -20.69232      20.56184 
1 1 1 3   23 15 o 440.9196 15.41929 45.92240       3.198108  43.94154       3.414998  60.04757       9.119281  431.1273 16.83898 496.9373 39.33265 -65.81000      42.78561 
1 1 1 3   23 16 o 253.8283 15.34462 15.27862       1.823556  11.07089       2.814168  18.32425       2.394225  213.4031 28.76665 277.5971 18.43990 -64.19402      34.16943 
1 1 1 3   23 17 o 492.0696 13.02292 57.15350       3.014424  53.22510       4.353092  60.77286       4.178354  473.8041 19.53123 506.6785 17.53087 -32.87433      26.24501 
1 1 1 3   23 18 o 339.6058 16.35094 27.28912       2.612084  27.04743       3.643854  27.54459       3.746367  336.3202 23.17380 339.3042 23.61936 -2.984039      33.08926 
1 1 1 3   23 19 o 353.9949 16.03304 29.65630       2.669820  26.34624       3.920272  32.51943       3.646019  331.2052 25.35485 369.2810 21.07643 -38.07587      32.97095 
1 1 1 3   23 20 o 364.9184 16.86642 31.55369       2.895263  37.12294       4.317285  27.00195       3.903025  393.8051 23.41101 335.2327 24.92890 58.57233       34.19833 
1 1 1 3   23 21 o 214.2446 25.68493 11.14790       2.536953  14.67877       3.883343  8.518962       3.350852  243.3833 34.91965 182.8829 40.05894 60.50040       53.14227 
1 1 1 3   23 22 f 144.4119 37.32293 5.311259       2.553763  1.779469       3.644663  8.717612       3.579355  112.3392 45.12918 183.9823 42.24920 -71.64312      61.81939 
1 1 1 3   23 23 o 94.42607 39.11640 0.8017434      2.842222  0.2475030      6.563513  0.9296603      3.153197  130.4136 56.86495 99.47967 41.20458 30.93389       70.22421 
1 1 1 3   23 24 o 458.7842 17.88671 50.15190       3.860187  46.17922       4.966689  56.21284       6.134733  437.2675 24.24117 480.9569 27.22740 -43.68939      36.45498 
1 1 1 3   23 25 o 277.2858 21.29840 18.56863       2.756848  19.86264       3.984541  17.38034       3.818313  283.1411 30.39157 264.2552 31.32698 18.88596       43.64662 
1 1 1 3   23 26 o 186.8882 34.91743 8.984206       2.956806  7.762861       3.391484  12.85375       6.036709  170.4453 42.45757 210.9272 58.69318 -40.48190      72.43987 
1 1 1 3   23 27 o 330.9515 21.22615 26.58609       3.287071  26.08502       5.128301  26.93550       4.282445  319.7888 34.64510 329.4789 27.89278 -9.690094      44.47797 
1 1 1 3   25 0  f 646.4881 10.56943 98.41891       3.214263  103.8644       4.479131  92.63743       4.615232  663.7993 14.34457 626.7664 15.65376 37.03290       21.23221 
1 1 1 3   25 1  o 796.6021 10.92383 149.4435       4.093413  158.5741       5.789020  140.3132       5.788901  820.1125 15.00591 771.3267 15.95469 48.78583       21.90273 
1 1 1 3   25 2  o 243.8188 10.98188 14.00040       1.259543  14.42626       1.497429  12.97026       2.328943  247.1008 12.92751 233.2773 21.46428 13.82346       25.05665 
1 1 1 3   25 3  o 640.9102 10.09499 96.72115       3.043493  109.6668       4.546981  86.21365       4.096481  682.0836 14.17151 604.7451 14.40022 77.33844       20.20392 
1 1 1 3   25 4  o 452.5438 21.31158 48.41556       4.536757  57.84781       6.851840  41.05232       6.053886  492.6123 29.70772 414.3538 31.29017 78.25848       43.14653 
1 1 1 3   25 5  o 108.1627 44.16262 1.104497       3.555382  1.958086       5.171551  0.3394769      4.895904  132.0739 53.51044 118.8763 50.42222 13.19758       73.52393 
1 1 1 3   25 6  o 209.2543 40.29057 10.83849       3.822044  6.881689       5.402285  14.80381       5.408094  171.4604 57.15741 243.3006 48.94874 -71.84016      75.25256 
1 1 1 3   25 7  o 496.0485 23.07607 58.26763       5.384624  58.68015       7.723657  57.87753       7.510818  494.9102 33.37109 491.6886 32.65918 3.221588       46.69316 
1 1 1 3   25 8  o 263.1047 36.88483 16.88217       4.439603  17.63674       6.381033  16.17420       6.180845  264.5634 53.11879 252.9881 53.60364 11.57536       75.46494 
1 1 1 3   25 9  o 297.5045 47.62724 21.96790       6.440432  0.000000       0.000000  21.96790       6.440432  ?        ?        297.5045 47.62724 0.000000       47.62724 
1 1 1 3   25 10 o 584.2554 23.18261 80.93797       6.371391  94.58978       9.605857  70.21404       8.513696  628.3381 32.61137 540.7895 33.63389 87.54865       46.84805 
1 1 1 3   25 11 o 500.7242 25.23193 59.71813       5.924080  58.26398       8.414225  61.14745       8.342071  491.1698 36.68248 503.6723 35.43496 -12.50253      51.00236 
1 1 1 3   25 12 o 250.3526 40.14447 15.48981       4.567912  16.02557       6.599353  14.99703       6.329123  249.5660 57.40958 241.5104 56.68364 8.055634       80.67773 
1 1 1 3   25 13 o 572.4908 24.31961 77.90520       6.549294  75.56481       9.217604  80.29133       9.307247  559.5885 35.19640 577.1926 34.43608 -17.60413      49.24053 
1 1 1 3   25 14 o 141.0850 51.03428 4.226925       4.351699  11.45363       6.502958  -1.633770      5.856193  210.6160 61.68138 117.9892 52.48277 92.62686       80.98786 
1 1 1 3   25 15 o 510.8960 38.50870 63.52557       9.186625  0.000000       0.000000  63.52557       9.186625  ?        ?        510.8960 38.50870 0.000000       38.50870 
1 1 1 3   25 16 o 638.7501 10.63859 96.19195       3.196572  94.61703       4.653104  97.59947       4.398873  632.6245 15.63607 642.7394 14.54914 -10.11487      21.35799 
1 1 1 3   25 17 o 242.2066 14.03190 13.90518       1.591868  13.28775       2.810339  14.19687       1.931625  234.5516 25.90354 244.3211 16.91110 -9.769562      30.93507 
1 1 1 3   25 18 o 204.8934 18.24429 10.03142       1.740028  9.944729       2.796172  10.08621       2.222863  201.2336 30.49438 204.4021 23.54902 -3.168564      38.52874 
1 1 1 3   25 19 f 189.6908 26.19854 8.771715       2.275327  14.97622       7.048465  8.049946       2.404031  235.9483 62.50758 180.7920 29.26814 55.15631       69.02045 
1 1 1 3   25 20 o 328.9400 15.96851 25.64147       2.470873  20.42801       3.649215  30.05512       3.357649  290.4109 27.02276 354.7751 20.20290 -64.36417      33.73999 
1 1 1 3   25 21 o 524.2852 14.31919 65.08875       3.531468  62.60405       5.155798  67.28472       4.846993  512.0591 21.40457 531.5696 19.38398 -19.51056      28.87723 
1 1 1 3   25 22 f 302.5680 18.61064 21.88810       2.635983  15.89173       3.772047  27.61139       3.685157  253.2299 32.40956 338.4818 23.28636 -85.25191      39.90783 
1 1 1 3   25 23 o 129.2870 55.97269 0.8002380      6.267116  0.8002380      6.267116  0.000000       0.000000  129.2870 55.97269 ?        ?        0.000000       55.97269 
1 1 1 3   25 24 o 183.1923 48.59122 9.097915       4.255978  10.43401       5.900173  7.648633       6.145014  192.2408 59.31797 169.8046 60.73924 22.43616       84.89921 
1 1 1 3   25 25 o 127.4795 48.88430 3.517338       4.108273  11.56362       5.969736  -3.721760      5.662390  199.5433 59.27643 102.0886 47.68505 97.45472       76.07600 
1 1 1 3   27 0  o 451.9710 12.11276 48.14406       2.575270  51.82162       3.110575  40.13080       4.591615  468.7461 14.10697 410.7695 23.86570 57.97656       27.72324 
1 1 1 3   27 1  o 507.1636 10.24015 60.58523       2.443002  64.10789       3.328612  56.47203       3.596806  521.4131 13.57100 489.1727 15.63096 32.24042       20.70021 
1 1 1 3   27 2  o 132.6320 16.42623 4.215863       1.002917  3.882283       1.156926  5.224559       2.011806  126.5873 20.10065 145.4676 30.38051 -18.88029      36.42817 
1 1 1 3   27 3  o 920.9254 11.63136 199.8563       5.038767  237.3125       8.228742  177.3866       6.373374  1002.324 17.45244 866.9471 15.62815 135.3765       23.42705 
1 1 1 3   27 4  o 540.0926 20.43292 69.01969       5.191203  69.73841       7.734223  68.43044       7.003053  540.0804 30.56852 535.7056 27.88659 4.374817       41.37748 
1 1 1 3   27 5  o 300.4808 41.79622 22.16112       5.747780  22.16112       5.747780  0.000000       0.000000  300.4808 41.79622 ?        ?        0.000000       41.79622 
1 1 1 3   27 6  o 279.1346 32.65620 18.85989       4.206892  22.55946       6.194377  15.69263       5.731442  302.1627 44.94902 249.4388 50.57696 52.72388       67.66418 
1 1 1 3   27 7  o 273.5683 34.69547 18.19815       4.364503  11.84007       5.916655  25.78775       6.464321  215.1404 57.40046 323.7710 43.54830 -108.6306      72.05045 
1 1 1 3   27 8  o 419.3660 37.44447 42.59810       7.309001  0.000000       0.000000  42.59810       7.309001  ?        ?        419.3660 37.44447 0.000000       37.44447 
1 1 1 3   27 9  o 496.5626 25.24025 58.74632       5.876321  58.05589       8.447807  59.39359       8.179435  490.0847 36.91514 496.3077 35.26460 -6.222961      51.05212 
1 1 1 3   27 10 o 515.5361 24.74027 63.15947       5.999745  61.35553       8.429200  65.01189       8.541762  504.1247 35.77742 519.2128 35.18062 -15.08810      50.17668 
1 1 1 3   27 11 o 107.4815 49.38102 -3.730678      5.708244  -3.730678      5.708244  0.000000       0.000000  107.4815 49.38102 ?        ?        0.000000       49.38102 
1 1 1 3   27 12 o 171.3340 51.48438 7.349607       4.484336  8.686089       6.239284  5.921523       6.449560  187.5817 61.37314 167.5112 61.88710 20.07056       87.15891 
1 1 1 3   27 13 o 426.1112 28.02001 43.53428       5.585112  49.52438       7.786893  37.18787       8.015133  451.5242 36.98631 387.9041 44.74622 63.62018       58.05352 
1 1 1 3   27 14 o 334.2364 48.48532 28.02616       7.400627  0.000000       0.000000  28.02616       7.400627  ?        ?        334.2364 48.48532 0.000000       48.48532 
1 1 1 3   27 15 f 491.7060 27.07713 57.95289       6.238788  51.57551       8.389138  65.84424       9.331933  459.0322 39.22795 519.3918 38.46859 -60.35965      54.94238 
1 1 1 3   27 16 o 512.4792 27.18594 63.02737       6.530313  75.83235       9.626319  52.11059       8.888283  557.7283 36.90025 459.6854 41.55360 98.04294       55.57274 
1 1 1 3   27 17 o 196.8033 50.32727 10.06258       4.677485  11.25446       6.674067  8.912010       6.557399  206.3523 62.98981 187.5971 62.97369 18.75514       89.06964 
1 1 1 3   27 18 o 127.0886 50.04633 2.682077       4.395773  4.206302       6.410966  1.329667       6.038836  152.8736 60.36287 132.9893 56.18074 19.88428       82.46182 
1 1 1 3   27 19 o 130.3832 49.62207 3.342101       4.213230  11.15339       6.188489  -3.406659      5.752217  203.5712 60.32528 107.3308 49.40751 96.24043       77.97591 
1 1 1 3   27 20 o 113.9302 50.10731 -0.4958383     5.194362  0.000000       0.000000  -0.4958383     5.194362  ?        ?        113.9302 50.10731 0.000000       50.10731 
1 1 1 3   27 21 o 206.9851 45.56049 11.25406       4.315837  20.85315       6.754568  4.631392       5.610466  279.1267 53.38856 147.9802 57.02990 131.1465       78.12009 
1 1 1 3   27 22 o 253.1286 53.29509 17.42569       6.145320  17.42569       6.145320  0.000000       0.000000  253.1286 53.29509 ?        ?        0.000000       53.29509 
1 1 1 3   29 0  o 557.6112 22.91367 73.72176       6.010291  0.000000       0.000000  73.72176       6.010291  ?        ?        557.6112 22.91367 0.000000       22.91367 
1 1 1 3   29 1  o 304.3056 11.30416 21.82288       1.618145  22.86339       2.028460  20.00202       2.683371  311.3226 13.85117 290.0857 19.78264 21.23691       24.14970 
1 1 1 3   29 2  o 573.9646 11.07593 77.63041       2.990438  100.8621       5.010061  64.77273       3.727212  653.5143 16.29741 523.8540 15.12532 129.6603       22.23468 
1 1 1 3   29 3  o 522.7272 10.14187 64.37016       2.493804  75.09457       3.947233  57.24577       3.217216  564.0760 14.87599 492.6078 13.88384 71.46823       20.34837 
1 1 1 3   29 4  o 755.9058 19.85201 135.2275       7.058972  143.6385       10.31698  127.8240       9.679297  776.6085 28.24106 732.6603 28.08483 43.94818       39.82858 
1 1 1 3   29 5  o 243.9074 35.10625 14.54190       3.911852  10.35375       5.440450  19.02497       5.628743  201.6029 55.57693 276.8199 44.75308 -75.21695      71.35568 
1 1 1 3   29 6  f 110.0855 44.77536 1.288576       3.637077  6.786564       5.266455  -3.724733      5.028966  168.9678 56.43693 99.44836 45.92808 69.51940       72.76342 
1 1 1 3   29 8  o 458.4711 25.75222 50.16113       5.531383  57.58027       8.199672  43.96552       7.493104  488.0819 35.96708 425.5280 37.82833 62.55392       52.19783 
1 1 1 3   29 9  o 273.8546 35.98906 18.33776       4.523904  28.76041       6.740528  9.794888       6.102485  341.6456 42.88708 196.5721 60.27209 145.0735       73.97314 
1 1 1 3   29 10 o 580.0228 34.05162 81.12367       9.250038  81.12367       9.250038  0.000000       0.000000  580.0228 34.05162 ?        ?        0.000000       34.05162 
1 1 1 3   29 11 o 303.6418 34.03105 22.44115       4.777168  19.26873       6.479693  26.21879       7.070817  275.0117 51.99292 323.5603 47.90399 -48.54858      70.69694 
1 1 1 3   29 12 o 176.5503 49.38223 7.941680       4.261773  5.288348       5.766412  11.13555       6.326574  158.2162 58.50490 207.0688 60.89524 -48.85262      84.44557 
1 1 1 3   29 13 o 346.6972 30.07827 29.04877       4.856768  35.40429       7.073442  23.37991       6.680411  379.2247 40.26809 304.2513 48.28999 74.97339       62.87640 
1 1 1 3   29 14 o 448.4626 26.32391 48.25237       5.528891  42.95482       7.527282  54.45898       8.147568  418.2579 38.69677 472.1418 36.98039 -53.88382      53.52559 
1 1 1 3   29 15 o 145.8827 51.17659 4.913408       4.343537  2.539536       6.193016  7.211653       6.093570  141.7036 58.12048 172.9615 60.61912 -31.25792      83.98016 
1 1 1 3   29 16 o 562.7018 34.51985 77.25922       9.093127  77.25922       9.093127  0.000000       0.000000  562.7018 34.51985 ?        ?        0.000000       34.51985 
1 1 1 3   29 17 o 101.6473 43.79784 0.4859272E-01  3.800687  -2.142390      5.232832  2.494947       5.529387  106.9375 48.41409 134.9255 55.08038 -27.98799      73.33330 
1 1 1 3   29 18 o 176.6553 46.73521 8.170928       3.943706  4.863258       5.333416  12.16112       5.857890  149.2612 56.05239 211.8626 57.36740 -62.60141      80.20530 
1 1 1 3   29 19 o 108.6709 49.38419 -2.219976      5.507740  0.000000       0.000000  -2.219976      5.507740  ?        ?        108.6709 49.38419 0.000000       49.38419 
1 1 1 3   31 0  f 187.5097 19.98692 8.420288       1.735774  9.649992       2.027189  5.041617       3.360213  200.5565 21.84070 143.9459 44.82259 56.61057       49.86061 
1 1 1 3   31 1  o 131.8202 20.24822 4.210065       1.215408  4.996552       1.484591  2.611522       2.116525  143.3795 22.77294 107.0379 35.77785 36.34159       42.41063 
1 1 1 3   31 2  f 567.5576 10.05665 75.89955       2.684928  85.95280       3.860134  66.47752       3.736984  603.5286 13.59675 530.5839 14.97262 72.94476       20.22501 
1 1 1 3   31 3  o 671.5524 12.78066 106.3830       4.037408  121.8490       9.820232  103.2371       4.429041  714.3033 29.22603 661.3151 14.23744 52.98816       32.50947 
1 1 1 3   31 4  o 629.6636 29.82801 94.76814       8.834913  94.76814       8.834913  0.000000       0.000000  629.6636 29.82801 ?        ?        0.000000       29.82801 
1 1 1 3   31 5  o 390.8755 24.73164 36.48541       4.523930  35.96909       6.822336  36.89061       6.043787  384.0982 38.26859 390.7155 33.19801 -6.617340      50.66155 
1 1 1 3   31 6  o 150.0112 47.15203 5.498907       3.708761  4.684899       5.313402  6.272295       5.179137  151.2873 56.11667 163.4589 55.96032 -12.17155      79.25048 
1 1 1 3   31 7  o 599.7139 29.25030 86.02854       8.251706  0.000000       0.000000  86.02854       8.251706  ?        ?        599.7139 29.25030 0.000000       29.25030 
1 1 1 3   31 8  o 265.5855 30.20554 17.10660       3.706510  20.02081       5.339604  14.39655       5.149173  284.2150 41.13481 238.1271 47.63208 46.08795       62.93559 
1 1 1 3   31 9  o 214.2068 37.86456 11.42486       3.675801  15.00000       5.251363  7.990488       5.146946  242.9402 47.65438 178.0082 55.48120 64.93202       73.13757 
1 1 1 3   31 10 o 544.7034 22.67682 70.60110       5.810476  71.19501       8.212936  70.00595       8.221579  542.8777 32.30680 538.1696 32.63046 4.708191       45.91814 
1 1 1 3   31 11 o 220.9423 38.96530 12.21337       3.901722  12.65161       5.516418  11.77467       5.519320  220.2867 53.71812 212.2499 54.87584 8.036804       76.79189 
1 1 1 3   31 12 o 293.7533 30.69439 20.99417       4.178779  26.59929       6.144617  16.17123       5.699791  327.1732 40.81284 250.4711 50.12580 76.70209       64.63965 
1 1 1 3   31 13 o 124.9231 51.06395 1.896849       4.760205  0.000000       0.000000  1.896849       4.760205  ?        ?        124.9231 51.06395 0.000000       51.06395 
1 1 1 3   31 14 o 132.1954 45.82169 4.056385       3.477121  2.420333       4.791189  5.876933       5.054124  128.4600 51.69433 157.0659 55.19839 -28.60587      75.62517 
1 1 1 3   31 15 o 142.9810 53.82637 4.301427       4.924102  4.301427       4.924102  0.000000       0.000000  142.9810 53.82637 ?        ?        0.000000       53.82637 
1 1 1 3   33 4  o 313.4153 36.91823 24.10821       5.338502  24.10821       5.338502  0.000000       0.000000  313.4153 36.91823 ?        ?        0.000000       36.91823 
1 1 1 3   33 5  o 323.5472 25.07288 25.12199       3.786226  24.78597       5.741940  25.38050       5.036257  316.8382 39.37491 322.6835 33.67500 -5.845337      51.81109 
1 1 1 3   33 6  o 188.3555 41.03807 8.986974       3.533262  10.71046       5.273664  7.583235       4.759389  202.7972 54.23024 172.9288 53.26196 29.86845       76.01154 
1 1 1 3   33 7  o 230.3582 33.87968 13.08139       3.561573  11.37337       5.138066  14.66112       4.941341  209.0340 52.36383 240.2076 45.39434 -31.17365      69.30091 
1 1 1 3   33 8  o 396.1396 24.19748 37.59699       4.487455  38.22830       6.382399  36.97979       6.310650  395.7359 34.63409 389.0878 34.84837 6.648041       49.13175 
1 1 1 3   33 9  o 253.7716 42.76083 16.25743       4.923091  16.25743       4.923091  0.000000       0.000000  253.7716 42.76083 ?        ?        0.000000       42.76083 
1 1 1 3   33 10 o 243.1476 31.32832 14.50508       3.499894  17.20571       4.844884  11.55767       5.061408  261.7609 40.66660 209.9914 51.60645 51.76947       65.70387 
1 1 1 4   0  0  o 526.5244 10.44090 65.29465       2.583690  65.29465       2.583690  65.29465       2.583690  526.5244 10.44090 526.5244 10.44090 0.000000       0.000000 
1 1 1 4   0  1  o 389.5260 10.55896 35.77332       1.931545  35.77332       1.931545  35.77332       1.931545  389.5260 10.55896 389.5260 10.55896 0.000000       0.000000 
1 1 1 4   0  2  o 429.5861 11.68226 43.51250       2.356783  43.51250       2.356783  43.51250       2.356783  429.5861 11.68226 429.5861 11.68226 0.000000       0.000000 
1 1 1 4   0  3  o 375.8613 12.68791 33.35088       2.237504  33.35088       2.237504  33.35088       2.237504  375.8613 12.68791 375.8613 12.68791 0.000000       0.000000 
1 1 1 4   0  4  o 454.9189 13.64355 48.82368       2.913707  48.82368       2.913707  48.82368       2.913707  454.9189 13.64355 454.9189 13.64355 0.000000       0.000000 
1 1 1 4   0  5  o 936.0729 16.09275 206.3754       7.081410  206.3754       7.081410  206.3754       7.081410  936.0729 16.09275 936.0729 16.09275 0.000000       0.000000 
1 1 1 4   0  6  o 752.0423 15.33844 133.2474       5.421067  133.2474       5.421067  133.2474       5.421067  752.0423 15.33844 752.0423 15.33844 0.000000       0.000000 
1 1 1 4   0  7  o 1527.058 31.85179 550.2379       22.85768  550.2379       22.85768  550.2379       22.85768  1527.058 31.85179 1527.058 31.85179 0.000000       0.000000 
1 1 1 4   0  8  o 1233.605 19.78002 358.4778       11.47150  358.4778       11.47150  358.4778       11.47150  1233.605 19.78002 1233.605 19.78002 0.000000       0.000000 
1 1 1 4   0  9  f 57.60851 37.68517 -0.3457679     2.524653  -0.3457679     2.524653  -0.3457679     2.524653  57.60851 37.68517 57.60851 37.68517 0.000000       0.000000 
1 1 1 4   0  10 o 307.2211 23.22794 22.60889       3.312721  22.60889       3.312721  22.60889       3.312721  307.2211 23.22794 307.2211 23.22794 0.000000       0.000000 
1 1 1 4   0  11 o 1890.595 38.68760 846.3140       34.37393  846.3140       34.37393  846.3140       34.37393  1890.595 38.68760 1890.595 38.68760 0.000000       0.000000 
1 1 1 4   0  12 o 385.5237 22.14577 35.38084       3.985842  35.38084       3.985842  35.38084       3.985842  385.5237 22.14577 385.5237 22.14577 0.000000       0.000000 
1 1 1 4   0  13 o 110.5964 55.42592 4.284598       3.531774  4.284598       3.531774  4.284598       3.531774  110.5964 55.42592 110.5964 55.42592 0.000000       0.000000 
1 1 1 4   0  14 o 1211.499 30.61815 346.9085       17.42385  346.9085       17.42385  346.9085       17.42385  1211.499 30.61815 1211.499 30.61815 0.000000       0.000000 
1 1 1 4   0  15 o 543.0192 21.52578 69.75578       5.478863  69.75578       5.478863  69.75578       5.478863  543.0192 21.52578 543.0192 21.52578 0.000000       0.000000 
1 1 1 4   0  16 o 1239.215 22.53231 361.9287       13.12496  361.9287       13.12496  361.9287       13.12496  1239.215 22.53231 1239.215 22.53231 0.000000       0.000000 
1 1 1 4   0  17 o 654.1352 22.09988 101.0877       6.782687  101.0877       6.782687  101.0877       6.782687  654.1352 22.09988 654.1352 22.09988 0.000000       0.000000 
1 1 1 4   0  18 o 146.9604 63.38050 7.296369       4.504232  7.296369       4.504232  7.296369       4.504232  146.9604 63.38050 146.9604 63.38050 0.000000       0.000000 
1 1 1 4   0  19 f 384.2591 30.51524 35.46310       5.435805  35.46310       5.435805  35.46310       5.435805  384.2591 30.51524 384.2591 30.51524 0.000000       0.000000 
1 1 1 4   0  20 o 133.0188 67.00316 6.194717       5.176691  6.194717       5.176691  6.194717       5.176691  133.0188 67.00316 133.0188 67.00316 0.000000       0.000000 
1 1 1 4   0  21 o 764.6895 23.64298 138.1971       8.486246  138.1971       8.486246  138.1971       8.486246  764.6895 23.64298 764.6895 23.64298 0.000000       0.000000 
1 1 1 4   0  22 o 625.2042 37.79672 93.48990       11.02287  93.48990       11.02287  93.48990       11.02287  625.2042 37.79672 625.2042 37.79672 0.000000       0.000000 
1 1 1 4   0  23 o 380.2086 55.09242 36.56362       9.251394  36.56362       9.251394  36.56362       9.251394  380.2086 55.09242 380.2086 55.09242 0.000000       0.000000 
1 1 1 4   0  24 o 1194.305 25.29061 337.4032       14.19398  337.4032       14.19398  337.4032       14.19398  1194.305 25.29061 1194.305 25.29061 0.000000       0.000000 
1 1 1 4   0  25 o 379.1892 34.65445 34.99757       6.062659  34.99757       6.062659  34.99757       6.062659  379.1892 34.65445 379.1892 34.65445 0.000000       0.000000 
1 1 1 4   0  26 o 155.8798 70.27474 8.626940       5.526810  8.626940       5.526810  8.626940       5.526810  155.8798 70.27474 155.8798 70.27474 0.000000       0.000000 
1 1 1 4   0  27 o 212.6613 58.80579 13.16267       5.087870  13.16267       5.087870  13.16267       5.087870  212.6613 58.80579 212.6613 58.80579 0.000000       0.000000 
1 1 1 4   0  28 o 290.0007 44.76838 21.69174       5.674042  21.69174       5.674042  21.69174       5.674042  290.0007 44.76838 290.0007 44.76838 0.000000       0.000000 
1 1 1 4   0  29 o 103.2322 61.19976 3.257331       5.153161  3.257331       5.153161  3.257331       5.153161  103.2322 61.19976 103.2322 61.19976 0.000000       0.000000 
1 1 1 4   0  30 o 89.71426 56.32035 1.478691       4.954028  1.478691       4.954028  1.478691       4.954028  89.71426 56.32035 89.71426 56.32035 0.000000       0.000000 
1 1 1 4   0  31 o 301.5361 44.03664 23.57392       5.856973  23.57392       5.856973  23.57392       5.856973  301.5361 44.03664 301.5361 44.03664 0.000000       0.000000 
1 1 1 4   0  32 o 160.0381 77.28235 10.16052       6.764898  10.16052       6.764898  10.16052       6.764898  160.0381 77.28235 160.0381 77.28235 0.000000       0.000000 
1 1 1 4   0  33 o 171.2572 65.93941 10.23839       5.032237  10.23839       5.032237  10.23839       5.032237  171.2572 65.93941 171.2572 65.93941 0.000000       0.000000 
1 1 1 4   0  34 o 84.93174 53.44260 1.551359       4.490117  1.551359       4.490117  1.551359       4.490117  84.93174 53.44260 84.93174 53.44260 0.000000       0.000000 
1 1 1 4   0  35 o 113.7525 67.75778 5.124852       6.369499  5.124852       6.369499  5.124852       6.369499  113.7525 67.75778 113.7525 67.75778 0.000000       0.000000 
1 1 1 4   0  36 o 248.1266 67.86196 20.02973       6.848141  20.02973       6.848141  20.02973       6.848141  248.1266 67.86196 248.1266 67.86196 0.000000       0.000000 
1 1 1 4   2  0  o 759.1168 12.71684 135.6207       4.541059  0.000000       0.000000  135.6207       4.541059  ?        ?        759.1168 12.71684 0.000000       12.71684 
1 1 1 4   2  1  o 1084.612 11.33845 276.8226       5.784918  272.8957       8.066217  280.9815       8.301056  1076.634 15.92695 1092.452 16.15331 -15.81836      22.68473 
1 1 1 4   2  2  f 611.2525 8.631433 87.90310       2.481835  87.15150       3.486669  88.67501       3.533489  608.5479 12.17998 613.8423 12.23708 -5.294373      17.26551 
1 1 1 4   2  3  o 801.4731 11.36564 151.1581       4.285012  144.9762       7.032136  154.8090       5.404204  784.5630 19.05417 810.9836 14.16610 -26.42065      23.74321 
1 1 1 4   2  4  o 1013.273 11.61021 241.6102       5.533958  232.2280       7.499511  252.8262       8.199671  993.1719 16.05237 1036.233 16.82170 -43.06085      23.25184 
1 1 1 4   2  5  o 555.0977 9.934651 72.50055       2.594128  70.72656       3.594680  74.42847       3.747385  548.1646 13.94055 562.3207 14.16690 -14.15607      19.87562 
1 1 1 4   2  6  o 1895.919 18.61183 846.5355       16.59886  837.6776       23.18525  855.8492       23.77450  1884.778 26.15064 1905.040 26.53004 -20.26184      37.25183 
1 1 1 4   2  7  o 1430.011 15.15497 481.3901       10.19445  479.8828       14.36288  482.9205       14.47199  1427.152 21.39448 1431.651 21.48928 -4.498901      30.32347 
1 1 1 4   2  8  o 421.1573 14.42892 41.75337       2.858560  40.48752       5.038044  42.35438       3.471461  413.5218 26.03256 424.0970 17.40115 -10.57520      31.31284 
1 1 1 4   2  9  o 664.9205 11.77619 104.0524       3.683357  104.9062       5.226643  103.2100       5.191639  667.4333 16.64737 662.0145 16.67123 5.418884       23.55982 
1 1 1 4   2  10 o 976.5833 14.93558 224.5960       6.861209  227.5268       11.86601  223.1240       8.409600  981.7307 25.69466 973.0651 18.37233 8.665527       31.58731 
1 1 1 4   2  11 o 315.3880 17.08026 23.51622       2.524569  26.29225       3.584941  20.78515       3.555796  332.8789 23.03589 295.4027 25.84917 37.47617       34.62415 
1 1 1 4   2  12 o 399.9339 15.41157 37.70327       2.899375  39.27882       4.163046  36.21922       4.040375  407.1766 21.81427 390.9156 22.06214 16.26102       31.02580 
1 1 1 4   2  13 o 901.9938 15.75844 191.7531       6.686305  189.7682       8.243253  195.5708       11.43206  896.8167 19.54005 909.1714 26.73063 -12.35480      33.11103 
1 1 1 4   2  14 o 391.4923 17.18377 36.11261       3.164543  36.09431       4.502877  36.13047       4.448301  390.2567 24.65522 390.4911 24.33769 -0.2344360     34.64395 
1 1 1 4   2  15 o 1383.532 16.63791 450.7885       10.82822  450.7583       15.50064  450.8173       15.13282  1382.557 23.83403 1382.732 23.26550 -0.1757813     33.30682 
1 1 1 4   2  16 o 2151.552 31.31432 1093.246       31.69305  1130.202       46.52047  1061.237       43.29468  2182.754 45.30749 2115.813 43.49989 66.94116       62.80930 
1 1 1 4   2  17 o 348.3864 21.56057 28.71277       3.516020  22.26937       5.058612  34.73491       4.890456  304.7838 35.97696 382.7168 27.34462 -77.93301      45.18927 
1 1 1 4   2  18 f 655.7542 18.46338 101.3029       5.695366  102.7897       7.051791  98.51368       9.658650  660.2764 22.70410 645.6411 31.80211 14.63531       39.07494 
1 1 1 4   2  19 o 136.9902 43.99041 4.348681       3.214250  8.691598       4.677428  0.4629374      4.424390  187.9184 51.42065 115.0332 48.31404 72.88512       70.55728 
1 1 1 4   2  20 o 849.3000 16.16054 169.9277       6.456339  186.5351       9.536434  155.8742       8.772601  889.1226 22.80106 812.7550 22.94560 76.36761       32.34793 
1 1 1 4   2  21 o 229.8019 39.57536 12.90821       4.123693  11.06718       7.291549  13.77394       5.000124  213.3705 65.95955 236.1492 46.66629 -22.77870      80.79854 
1 1 1 4   2  22 o 396.0237 21.81237 37.15582       4.047767  45.00082       6.009712  30.64182       5.476224  434.7320 29.56314 357.7437 32.91071 76.98825       44.23906 
1 1 1 4   2  23 o 478.9484 23.67531 54.29622       5.334008  53.56719       9.252563  54.65911       6.527940  470.7170 42.23556 478.9156 29.11477 -8.198608      51.29827 
1 1 1 4   2  24 o 592.9141 21.87821 83.26239       6.102008  82.75862       7.504991  84.24496       10.48131  590.0381 27.03963 591.1793 37.88955 -1.141174      46.54846 
1 1 1 4   2  25 o 642.9535 18.40603 97.84105       5.566844  103.2379       8.054214  92.90470       7.702942  658.4014 26.00538 624.5185 26.22056 33.88293       36.92963 
1 1 1 4   2  26 o 697.2308 18.06581 115.2008       5.925204  118.2683       8.498837  112.2998       8.265059  703.7725 25.67189 685.8052 25.61981 17.96722       36.26873 
1 1 1 4   2  27 o 178.0776 47.59525 8.217051       4.063411  11.65874       7.192365  6.603514       4.924648  208.6751 65.67481 163.1615 54.57437 45.51363       85.39053 
1 1 1 4   2  28 o 101.0884 44.76390 -0.8366973     4.214205  -9.390607      7.757386  2.744686       5.019477  108.4736 52.12492 131.7357 52.94709 -23.26201      74.29940 
1 1 1 4   2  29 o 405.9328 27.60194 40.13317       5.239329  39.02558       6.739395  41.82521       8.329829  395.1716 36.67283 403.6969 44.60968 -8.525330      57.74876 
1 1 1 4   2  30 o 150.4719 50.96722 5.830116       4.295698  1.498849       5.046767  17.22057       8.184201  121.8791 51.41621 240.4536 68.84781 -118.5745      85.92815 
1 1 1 4   2  31 o 201.8758 46.16379 10.99174       4.288505  10.73339       5.495223  11.39417       6.858611  194.4881 56.62768 197.2353 64.33816 -2.747223      85.70935 
1 1 1 4   2  32 o 215.0925 38.35410 12.10181       3.738357  10.60883       5.199970  13.69888       5.378203  192.1260 54.83355 220.1027 52.65210 -27.97668      76.01949 
1 1 1 4   2  33 o 168.3764 44.64974 7.870739       3.594136  7.099218       4.882904  8.782998       5.309618  157.9942 54.32638 172.4358 56.62610 -14.44156      78.47211 
1 1 1 4   2  34 o 119.5271 46.27257 3.328727       3.706460  1.767539       6.390532  4.120111       4.549913  126.2204 55.54383 130.0420 51.00959 -3.821686      75.41283 
1 1 1 4   2  35 o 228.8449 45.33315 15.15237       4.707502  18.94471       6.929662  11.90250       6.414922  237.3528 61.54850 184.6892 62.28438 52.66351       87.56461 
1 1 1 4   2  36 o 107.5408 46.01711 2.021000       4.142277  0.2870690      5.971070  3.629608       5.751240  110.3959 50.64058 124.5887 53.77927 -14.19285      73.86934 
1 1 1 4   4  0  o 1650.560 15.79583 641.3770       12.26431  647.0330       17.55715  635.9872       17.13912  1657.012 22.52470 1642.856 22.17787 14.15637       31.61044 
1 1 1 4   4  1  o 1847.676 17.64382 803.8984       15.33514  734.2450       27.73499  834.5692       18.40431  1763.136 33.44051 1882.164 20.78704 -119.0282      39.37473 
1 1 1 4   4  2  o 1227.011 14.47612 354.3874       8.355448  348.0975       13.91528  357.9337       10.44873  1215.198 24.34308 1232.868 18.01681 -17.66992      30.28516 
1 1 1 4   4  3  o 1123.537 12.06846 297.0648       6.378354  294.1360       8.925306  300.1218       9.118506  1117.687 16.97594 1128.988 17.16979 -11.30151      24.14507 
1 1 1 4   4  4  f 1179.751 12.72334 327.5532       7.060913  338.4674       10.31792  317.9399       9.683524  1198.859 18.29594 1161.981 17.71598 36.87793       25.46757 
1 1 1 4   4  5  o 529.1680 11.80785 65.89473       2.939230  67.15897       3.526842  63.02022       5.318068  534.1631 14.03598 517.1735 21.85991 16.98962       25.97815 
1 1 1 4   4  6  o 90.08364 31.22669 1.716934       1.614852  0.4511276      2.009459  4.024971       2.713418  80.27192 33.03660 130.5600 40.21670 -50.28812      52.04613 
1 1 1 4   4  7  o 1897.639 18.76092 848.1393       16.74700  850.0453       23.77595  846.2626       23.59279  1898.440 26.62390 1894.240 26.47738 4.200073       37.54841 
1 1 1 4   4  8  o 1390.099 15.04454 454.9449       9.837709  465.3687       14.24301  445.4351       13.60421  1405.206 21.54728 1374.847 21.03534 30.35938       30.11264 
1 1 1 4   4  9  o 867.6346 18.26903 177.3610       7.456269  185.7610       10.90114  169.9762       10.22119  887.1490 26.12197 848.6786 25.60288 38.47034       36.57683 
1 1 1 4   4  10 o 432.4989 16.14956 44.07438       3.285602  45.77884       6.123960  43.38545       3.893400  438.8403 29.84313 428.9416 19.29575 9.898773       35.53784 
1 1 1 4   4  11 o 748.2181 12.82302 131.8644       4.513234  146.2198       6.789791  120.5007       6.040982  787.2962 18.33365 714.7520 17.96730 72.54425       25.66996 
1 1 1 4   4  12 o 954.4213 13.66500 214.6066       6.135063  210.3164       8.501753  219.2680       8.862034  944.0775 19.14395 963.8927 19.54499 -19.81525      27.35868 
1 1 1 4   4  13 o 700.7167 13.51269 115.6336       4.454034  120.0035       6.473681  111.7055       6.137653  713.3577 19.29188 688.2833 18.95683 25.07446       27.04696 
1 1 1 4   4  14 o 1160.597 14.91723 317.1696       8.144024  317.1227       11.54821  317.2159       11.48681  1159.850 21.16624 1160.035 21.05034 -0.1845703     29.85175 
1 1 1 4   4  15 o 1429.646 16.73676 481.2998       11.25562  478.2162       15.90808  484.3910       15.92764  1424.198 23.74533 1433.381 23.62221 -9.182983      33.49402 
1 1 1 4   4  16 o 913.7069 16.81147 196.5874       7.225733  210.7313       12.85170  190.0497       8.737551  944.9363 28.91271 898.1188 20.68172 46.81750       35.54826 
1 1 1 4   4  17 o 1311.460 16.49639 405.0079       10.17685  418.9482       14.84000  392.6316       13.98270  1333.006 23.66642 1290.542 23.03295 42.46313       33.02448 
1 1 1 4   4  18 o 1029.207 15.63688 249.4374       7.570459  252.7372       10.87041  246.3296       10.54930  1035.354 22.31967 1022.187 21.93936 13.16718       31.29701 
1 1 1 4   4  19 o 1180.010 23.36748 328.4904       12.97080  328.4904       12.97080  0.000000       0.000000  1180.010 23.36748 ?        ?        0.000000       23.36748 
1 1 1 4   4  20 o 604.0829 17.14157 85.99085       4.870981  100.2381       7.256338  74.30538       6.571657  651.6520 23.67186 560.9526 24.90459 90.69946       34.35980 
1 1 1 4   4  21 o 392.5547 22.18876 36.49579       4.080565  33.52618       5.807079  39.39231       5.735175  374.5179 33.30989 406.7332 30.19100 -32.21533      44.95604 
1 1 1 4   4  22 o 381.4295 24.58156 34.55429       4.387067  42.44947       7.840122  30.95531       5.293368  419.8134 40.19183 359.7489 31.60003 60.06458       51.12676 
1 1 1 4   4  23 o 401.3616 22.55791 38.23920       4.241697  39.92178       6.103030  36.66698       5.899478  408.2632 32.03588 391.0910 32.35826 17.17218       45.53411 
1 1 1 4   4  24 o 193.1131 41.27750 9.324886       3.635983  9.708967       5.216813  8.962058       5.070424  195.7238 54.59728 188.5625 54.24917 7.161301       76.96645 
1 1 1 4   4  25 o 578.4767 27.20492 79.83554       7.402913  79.83554       7.402913  0.000000       0.000000  578.4767 27.20492 ?        ?        0.000000       27.20492 
1 1 1 4   4  26 o 374.5759 24.56971 33.61602       4.305226  30.65498       6.169908  36.42580       6.010248  353.2357 37.71473 387.0840 33.33298 -33.84821      50.33377 
1 1 1 4   4  27 o 230.2356 34.71315 13.16410       3.642744  13.77690       5.328834  12.62654       4.990983  229.5760 50.69847 220.0643 49.42203 9.511673       70.80164 
1 1 1 4   4  28 o 261.7964 36.96304 17.18237       4.425355  16.37634       7.853817  17.55733       5.356668  240.8486 66.92068 260.8633 45.29599 -20.01469      80.80906 
1 1 1 4   4  29 o 320.9264 26.98532 25.11771       4.036011  24.10065       5.635612  26.18858       5.782797  308.0580 39.82232 321.7503 39.00472 -13.69229      55.74213 
1 1 1 4   4  30 o 93.19708 40.55650 -0.9955985E-01 3.324276  1.160629       4.805606  -1.255921      4.603384  117.5905 49.92035 102.1286 45.89772 15.46190       67.81329 
1 1 1 4   4  31 o 364.2740 25.30825 32.40283       4.309783  29.88145       5.923699  35.23843       6.281976  342.4608 37.37865 372.9517 36.26622 -30.49094      52.08072 
1 1 1 4   4  32 o 483.8871 21.90159 56.67972       4.985273  62.68812       7.023679  50.57957       7.077106  502.0587 29.87494 447.3476 33.88256 54.71112       45.17234 
1 1 1 4   4  33 o 103.7824 46.77153 -0.8000855     4.819570  0.000000       0.000000  -0.8000855     4.819570  ?        ?        103.7824 46.77153 0.000000       46.77153 
1 1 1 4   4  34 o 75.66469 36.17075 -3.842952      3.629809  -4.464923      6.040578  -3.491441      4.541115  99.44031 47.29110 87.99703 41.59842 11.44328       62.98314 
1 1 1 4   4  35 o 126.8602 48.79062 4.322861       4.100076  -0.5181332     5.611005  9.869205       6.005881  107.6553 49.27531 170.1106 60.13266 -62.45525      77.74313 
1 1 1 4   4  36 o 143.1763 57.46700 6.881689       5.904277  6.881689       5.904277  0.000000       0.000000  143.1763 57.46700 ?        ?        0.000000       57.46700 
1 1 1 4   6  0  o 1322.358 13.12422 411.5387       8.163791  409.7556       11.49819  413.3513       11.59308  1319.078 18.53061 1324.847 18.60217 -5.768555      26.25690 
1 1 1 4   6  1  o 994.5850 12.34395 232.7896       5.775177  238.6148       10.16671  230.0145       7.017264  1006.387 21.47563 988.5036 15.09108 17.88361       26.24773 
1 1 1 4   6  2  o 1994.159 19.02713 936.5445       17.84853  895.6600       34.23837  951.8012       20.91529  1946.499 37.39294 2009.873 22.12208 -63.37427      43.44673 
1 1 1 4   6  3  o 1414.703 20.90931 471.4758       13.91471  460.4638       19.20286  483.6505       20.19105  1397.028 29.22075 1431.653 29.98139 -34.62500      41.86569 
1 1 1 4   6  4  o 1499.469 15.15824 529.2754       10.69192  532.2128       15.22154  526.4146       15.02174  1502.978 21.52965 1494.787 21.36346 8.190063       30.33023 
1 1 1 4   6  5  o 1099.979 14.18338 284.8007       7.338945  278.4171       8.890555  298.4543       13.00225  1087.373 17.38125 1125.176 24.56567 -37.80347      30.09286 
1 1 1 4   6  6  o 861.0632 13.42687 174.5130       5.438499  182.8691       6.730943  158.7991       9.230260  881.2879 16.23636 820.7294 23.90808 60.55853       28.90010 
1 1 1 4   6  7  o 1301.823 14.25377 398.9725       8.728731  424.7794       13.16555  378.7313       11.65974  1342.563 20.84659 1267.856 19.55013 74.70679       28.57950 
1 1 1 4   6  8  o 1340.703 14.72892 423.2663       9.289084  441.5681       13.70210  407.7015       12.63606  1368.511 21.28481 1315.111 20.42584 53.39966       29.50013 
1 1 1 4   6  9  o 427.7927 14.48821 43.10683       2.915530  39.86326       4.727253  45.09803       3.703861  410.0856 24.61957 437.3864 18.00197 -27.30081      30.49909 
1 1 1 4   6  10 o 556.7611 12.62579 73.00948       3.306714  75.85997       4.790140  70.41451       4.570396  567.1241 17.95564 546.4050 17.78156 20.71918       25.27032 
1 1 1 4   6  11 o 742.4047 12.74775 129.8178       4.451881  130.3278       6.305544  129.3109       6.286321  743.3365 18.03300 740.4291 18.04861 2.907410       25.51355 
1 1 1 4   6  12 o 621.5520 14.88948 91.00726       4.353377  88.34383       5.410481  95.89775       7.331494  612.1049 18.79060 637.1856 24.46004 -25.08069      30.84445 
1 1 1 4   6  13 o 869.9577 16.12088 178.2439       6.597146  190.6023       8.326420  157.4019       10.81300  899.3174 19.68231 816.4007 28.15617 82.91669       34.35350 
1 1 1 4   6  14 o 899.9041 14.02679 190.6306       5.937778  200.4575       8.719979  182.1347       8.107955  922.4043 20.09670 879.2748 19.60277 43.12952       28.07394 
1 1 1 4   6  15 o 349.6958 19.53655 28.89532       3.200867  27.00185       4.660942  30.58536       4.403445  336.9400 29.71126 359.1664 26.24491 -22.22641      39.64283 
1 1 1 4   6  16 o 961.5944 17.38282 217.7518       7.862878  233.5018       15.01998  211.8062       9.228416  994.2770 32.11386 948.1306 20.69139 46.14648       38.20254 
1 1 1 4   6  17 o 199.1553 33.38813 9.627560       3.017193  8.765514       4.299285  10.46415       4.235344  188.4947 48.27533 206.0527 44.95991 -17.55803      65.96894 
1 1 1 4   6  18 o 634.2272 18.41173 94.77229       5.492990  94.15273       6.907199  95.83829       9.060240  631.8265 23.23993 636.8490 30.24363 -5.022461      38.14147 
1 1 1 4   6  19 o 783.7827 15.89176 144.7016       5.859183  157.8550       8.711810  133.8379       7.917324  818.0084 22.64026 753.2428 22.34468 64.76563       31.80984 
1 1 1 4   6  20 o 461.1971 18.97049 50.15171       4.115612  50.64627       5.994947  49.71084       5.660177  462.0030 27.71294 457.8873 26.39038 4.115723       38.26825 
1 1 1 4   6  21 o 790.1461 16.64122 147.1803       6.185315  154.7093       9.192344  140.9511       8.361307  809.0794 24.15271 772.4381 23.01130 36.64130       33.35976 
1 1 1 4   6  22 o 845.4128 16.57110 168.5807       6.590062  178.0709       9.697328  160.4370       8.983109  867.5875 23.76126 823.6246 23.18612 43.96283       33.19930 
1 1 1 4   6  23 o 430.8290 21.71814 44.03757       4.387302  44.14107       6.314293  43.94098       6.100399  429.3067 31.48673 428.5739 30.45792 0.7328186      43.80753 
1 1 1 4   6  24 o 123.4513 47.21933 2.662712       3.827094  3.161859       4.950787  1.921522       6.032883  137.5452 53.41440 138.8991 57.21286 -1.353912      78.27139 
1 1 1 4   6  25 o 385.2011 23.11585 35.40870       4.169206  33.70139       5.958209  37.04668       5.835987  372.5178 34.38983 391.5213 31.96656 -19.00348      46.95233 
1 1 1 4   6  26 o 550.5126 19.73624 71.99041       5.110941  74.24634       7.299831  69.82118       7.158175  555.6370 28.01904 538.6418 28.35075 16.99512       39.86015 
1 1 1 4   6  27 o 146.6288 46.25051 5.395184       3.565219  0.4581963      5.093456  10.13752       4.992036  118.6859 50.91326 195.7804 52.93542 -77.09449      73.44603 
1 1 1 4   6  28 o 148.3399 49.88934 5.486917       4.115635  4.123068       7.392360  6.099551       4.954504  155.9700 63.68089 156.8996 54.67900 -0.9295959     83.93479 
1 1 1 4   6  29 o 491.4110 21.12564 57.87638       4.883421  53.60991       6.804081  62.40896       7.013060  466.9630 31.15428 504.9764 29.65356 -38.01343      43.01073 
1 1 1 4   6  30 o 164.9140 47.47438 7.292721       3.882021  6.451035       4.924608  8.674198       6.309115  157.5170 54.53525 178.0515 61.72240 -20.53448      82.36351 
1 1 1 4   6  31 o 147.1750 51.16852 5.610153       4.337517  7.905749       5.101047  -0.3828776     8.242041  169.0641 55.50199 136.1708 61.28490 32.89331       82.68198 
1 1 1 4   6  32 f 89.88275 40.07092 -0.6578534     3.434254  -0.2643807     4.786944  -1.075151      4.929741  107.2616 47.59279 104.6721 47.22566 2.589417       67.04727 
1 1 1 4   6  33 o 153.7967 48.39767 6.678862       3.906043  6.608204       6.785685  6.713876       4.776805  156.4141 61.99359 153.8323 53.68501 2.581772       82.00784 
1 1 1 4   6  34 o 157.4139 50.47367 7.359327       4.232689  0.000000       0.000000  7.359327       4.232689  ?        ?        157.4139 50.47367 0.000000       50.47367 
1 1 1 4   6  35 o 205.9297 48.03474 12.76390       4.567788  12.80024       6.673195  12.73187       6.265698  188.0676 63.52534 190.2793 61.45227 -2.211716      88.38467 
1 1 1 4   6  36 o 323.2717 32.54090 28.15273       4.881159  25.57967       6.819283  30.85613       6.989880  280.2172 53.68839 316.0352 48.57274 -35.81799      72.39996 
1 1 1 4   8  0  o 1850.872 34.72010 809.4531       30.22920  809.4531       30.22920  0.000000       0.000000  1850.872 34.72010 ?        ?        0.000000       34.72010 
1 1 1 4   8  1  o 1317.251 13.28421 408.3865       8.231398  424.8557       12.19769  394.6149       11.15410  1343.043 19.30716 1294.455 18.31801 48.58801       26.61420 
1 1 1 4   8  2  f 1463.044 19.87583 504.2275       13.67893  0.000000       0.000000  504.2275       13.67893  ?        ?        1463.044 19.87583 0.000000       19.87583 
1 1 1 4   8  3  o 231.0772 16.16278 12.63370       1.745817  10.90666       3.530645  13.19263       2.008553  211.7563 36.77887 235.9728 18.23626 -24.21645      41.05175 
1 1 1 4   8  4  o 774.1105 11.30893 141.0215       4.118071  147.5905       5.351110  131.4804       6.449013  791.8006 14.36676 747.1281 18.34970 44.67255       23.30483 
1 1 1 4   8  5  o 771.2698 10.51381 139.9840       3.814485  140.5242       5.384259  139.4397       5.404791  772.5577 14.81582 769.5649 14.93016 2.992798       21.03374 
1 1 1 4   8  6  o 1531.005 15.74645 552.0541       11.34040  570.0015       16.53960  536.1310       15.57897  1554.572 22.61752 1507.797 21.96477 46.77502       31.52782 
1 1 1 4   8  7  o 1021.679 14.79928 245.8715       7.112535  255.7685       8.835074  227.6457       11.98953  1041.667 18.03067 981.5812 25.96610 60.08588       31.61240 
1 1 1 4   8  8  o 510.7114 13.02800 61.43145       3.129844  61.97979       5.123844  61.10508       3.953046  512.3976 21.25786 509.1401 16.50537 3.257446       26.91326 
1 1 1 4   8  9  o 96.85386 34.06904 1.959557       1.925575  3.666615       2.682760  0.1456161      2.765471  125.4051 40.18067 89.76848 37.97567 35.63663       55.28687 
1 1 1 4   8  10 o 1098.221 16.20659 284.2475       8.372416  275.5351       14.80900  288.3405       10.15030  1078.821 29.18146 1105.598 19.51697 -26.77673      35.10655 
1 1 1 4   8  11 o 977.1970 15.15487 224.9098       6.966324  229.5450       8.863553  217.4198       11.26712  986.8120 19.09432 959.6448 24.95934 27.16718       31.42549 
1 1 1 4   8  12 o 362.7377 16.40290 30.98606       2.798869  38.79871       4.122899  24.30803       3.811781  405.1318 21.71303 319.9867 25.53636 85.14511       33.51957 
1 1 1 4   8  13 o 1865.340 19.42278 819.6177       17.04272  836.5200       24.59915  804.0159       23.63390  1882.992 27.77169 1846.160 27.21428 36.83215       38.88295 
1 1 1 4   8  14 o 1054.269 17.14927 261.7162       8.504845  257.6148       10.16554  271.2842       15.52657  1045.710 20.66568 1072.029 30.78929 -26.31897      37.08168 
1 1 1 4   8  15 o 765.8438 14.60160 138.0657       5.260294  145.8848       7.749309  131.3840       7.163532  786.8814 20.93555 746.7836 20.39216 40.09784       29.22563 
1 1 1 4   8  16 o 1012.494 15.13652 241.3553       7.209212  249.3107       10.49404  234.2452       9.920820  1028.506 21.69036 996.9960 21.15363 31.51001       30.29765 
1 1 1 4   8  17 f 1013.488 17.98660 241.9684       8.575053  250.5351       16.32650  238.7049       10.07686  1029.243 33.72142 1006.314 21.28741 22.92944       39.87841 
1 1 1 4   8  18 f 973.9648 15.74930 223.4191       7.215625  241.5579       10.83555  208.9664       9.672137  1011.977 22.76204 941.3415 21.84268 70.63513       31.54700 
1 1 1 4   8  19 o 721.7426 16.10646 122.7225       5.468293  123.4412       7.909305  122.0643       7.568610  723.2040 23.24920 719.2512 22.37001 3.952881       32.26365 
1 1 1 4   8  20 o 412.0045 23.99309 40.23404       4.629919  41.87806       5.578168  36.59335       8.301021  419.7290 28.41975 388.6708 46.31459 31.05820       54.33897 
1 1 1 4   8  21 o 536.3973 20.08231 67.92809       5.067219  69.35197       8.508101  67.14540       6.308010  539.1296 33.71769 532.7262 25.17208 6.403381       42.07750 
1 1 1 4   8  22 o 219.6910 33.68081 11.75861       3.369665  7.507058       4.951202  15.42698       4.599106  175.4978 54.36964 250.7242 40.36499 -75.22636      67.71552 
1 1 1 4   8  23 o 331.4007 28.86129 26.34167       4.454315  45.48158       9.614563  21.11083       5.026266  429.8943 48.38536 294.4130 37.11762 135.4812       60.98246 
1 1 1 4   8  24 o 573.5649 18.23115 77.85220       4.918877  82.49798       7.236423  73.86198       6.706453  588.5321 26.13873 557.0200 25.59486 31.51208       36.58319 
1 1 1 4   8  25 o 321.4571 25.79893 24.82316       3.868295  26.29633       5.622796  23.49935       5.330121  327.3659 37.17224 309.1767 37.41003 18.18915       52.73790 
1 1 1 4   8  26 o 333.0143 32.09767 27.05146       4.965858  25.42540       5.856237  31.21284       9.368491  319.7254 39.79934 343.8825 60.10291 -24.15717      72.08569 
1 1 1 4   8  27 o 96.00198 41.51764 -0.7815533E-01 3.440645  2.193254       5.078009  -2.005941      4.678161  128.8072 52.70655 100.8688 45.71154 27.93842       69.76765 
1 1 1 4   8  28 o 355.8562 24.78967 30.62736       4.123763  33.29012       5.800755  27.90667       5.863513  366.7549 34.01016 333.4643 38.06194 33.29062       51.04314 
1 1 1 4   8  29 o 161.1777 53.47712 6.804822       4.731022  10.82045       7.274564  3.861475       6.228032  196.2246 66.32573 145.6591 58.82455 50.56548       88.65343 
1 1 1 4   8  30 o 96.30863 41.99069 -0.9908702E-01 3.578302  0.9533532      5.015710  -1.189963      5.106478  118.0639 50.58143 107.7025 48.37654 10.36134       69.99122 
1 1 1 4   8  31 o 486.2414 20.98982 56.97081       4.800980  57.95692       6.705009  55.93332       6.877497  483.9844 29.59309 474.3040 30.99554 9.680420       42.85411 
1 1 1 4   8  32 o 117.5191 50.12683 1.481452       4.886992  -3.608799      6.751460  7.083830       7.082952  111.2022 51.98452 162.7643 63.70002 -51.56207      82.21973 
1 1 1 4   8  33 o 200.4435 39.83898 10.86329       3.624046  8.174792       6.219796  12.24516       4.459191  165.0318 60.81073 208.3104 46.66499 -43.27864      76.65224 
1 1 1 4   8  34 o 139.8963 44.78972 5.582723       3.334012  9.631392       5.822024  3.607180       4.066878  172.0514 59.31181 122.4860 48.16832 49.56536       76.40732 
1 1 1 4   8  35 o 191.8278 43.96088 10.81152       3.881922  11.27230       5.890593  10.45779       5.161170  179.1833 59.68249 176.9637 55.62370 2.219543       81.58428 
1 1 1 4   10 0  o 789.2483 9.738555 146.5881       3.615576  150.4830       5.155846  142.8195       5.071588  799.4550 13.70997 778.8245 13.84315 20.63043       19.48323 
1 1 1 4   10 1  o 845.0450 9.950328 168.0529       3.955364  177.1239       5.806557  160.1999       5.402711  867.2938 14.23256 824.8397 13.92428 42.45410       19.91109 
1 1 1 4   10 2  o 519.8864 8.806452 63.60049       2.153668  66.19286       3.419547  61.89616       2.772671  530.1985 13.71074 512.7885 11.49452 17.41003       17.89157 
1 1 1 4   10 3  o 632.3165 9.061836 94.08934       2.695380  86.59335       6.462149  95.66812       2.965674  605.7550 22.67831 637.5670 9.888450 -31.81195      24.74039 
1 1 1 4   10 4  o 901.5543 13.14937 191.4096       5.576556  190.0714       10.35737  191.9559       6.617642  897.0119 24.54606 902.6127 15.58593 -5.600769      29.07628 
1 1 1 4   10 5  o 947.0225 11.42318 211.1575       5.088815  217.1600       7.351495  205.6353       7.051235  959.8800 16.28131 934.0900 16.04749 25.79004       22.86052 
1 1 1 4   10 6  o 889.7217 11.37132 186.3843       4.759205  190.0223       6.776479  182.8432       6.685509  897.8909 16.04395 880.7555 16.13652 17.13544       22.75512 
1 1 1 4   10 7  o 952.7353 13.47475 213.8008       6.038963  210.0773       9.594440  216.2438       7.771527  943.3343 21.62144 957.7230 17.25032 -14.38867      27.65972 
1 1 1 4   10 8  o 745.0128 11.64592 130.6712       4.081378  123.1388       5.468077  140.1463       6.132832  722.9099 16.07982 771.1453 16.90657 -48.23541      23.33222 
1 1 1 4   10 9  o 912.5590 13.98683 196.0856       6.004123  189.8633       9.461585  200.2805       7.768726  897.1790 22.41896 921.9398 17.91340 -24.76074      28.69669 
1 1 1 4   10 10 o 472.8858 14.78151 52.64783       3.288095  50.01319       4.185190  56.89656       5.314769  460.7412 19.31029 491.2527 22.99907 -30.51147      30.03072 
1 1 1 4   10 11 o 427.0999 17.67933 42.95655       3.551933  36.92034       6.927032  45.10977       4.137228  393.3035 37.91072 437.5952 20.09868 -44.29169      42.90897 
1 1 1 4   10 12 o 1618.596 17.49379 616.8832       13.31962  631.2447       19.24011  603.6659       18.45781  1636.375 24.99514 1600.298 24.51940 36.07678       35.01368 
1 1 1 4   10 13 o 1295.209 15.55312 394.9142       9.476035  406.6783       13.74867  384.2686       13.07870  1313.752 22.24733 1277.091 21.77074 36.66077       31.12730 
1 1 1 4   10 14 o 1536.950 19.68509 556.4338       14.23202  571.6409       24.52656  548.7141       17.47495  1555.589 33.51757 1525.643 24.34970 29.94568       41.42868 
1 1 1 4   10 15 o 695.2965 14.53607 113.8075       4.754298  114.4300       6.804568  113.2139       6.645441  696.8689 20.75774 693.1789 20.38023 3.690002       29.09017 
1 1 1 4   10 16 o 1312.093 16.35168 405.4334       10.09244  413.2596       14.54766  398.1718       14.01308  1323.822 23.36115 1299.494 22.92398 24.32825       32.73000 
1 1 1 4   10 17 o 512.5156 18.79115 61.89788       4.530329  52.04588       5.512296  82.40191       7.952253  468.9523 25.07905 590.6038 28.62363 -121.6515      38.05615 
1 1 1 4   10 18 o 1140.387 16.07896 306.3643       8.625407  322.2148       12.74328  292.9629       11.71752  1168.509 23.18354 1114.336 22.35373 54.17273       32.20506 
1 1 1 4   10 19 o 458.1750 18.49102 49.49754       3.985304  47.98913       5.742630  50.89897       5.535231  449.6695 27.27758 463.4055 25.49049 -13.73602      37.33406 
1 1 1 4   10 20 o 686.4230 18.06543 111.1428       5.833235  115.0714       9.882584  109.0422       7.226348  696.6509 30.15685 679.3487 22.61293 17.30225       37.69324 
1 1 1 4   10 21 o 980.4246 19.53500 227.0429       9.009424  230.2172       10.98257  220.5113       15.75409  986.2781 23.67202 961.8019 34.82076 24.47614       42.10522 
1 1 1 4   10 22 o 499.7617 18.48184 59.02217       4.344878  60.30844       6.521827  57.99571       5.826043  502.9729 27.67126 493.7807 25.16594 9.192230       37.40352 
1 1 1 4   10 23 o 144.6889 46.93796 4.992476       3.652374  5.318035       4.962256  4.607610       5.395355  154.7022 54.66189 151.7311 56.49497 2.971115       78.61046 
1 1 1 4   10 24 o 488.7451 19.64001 56.63600       4.515369  46.86168       6.529790  65.59276       6.250739  440.6869 31.71121 524.5833 25.33072 -83.89636      40.58628 
1 1 1 4   10 25 o 128.3669 43.57399 3.834368       3.139899  4.627700       4.818546  3.248907       4.139404  146.3343 53.58400 129.9794 49.25323 16.35490       72.78136 
1 1 1 4   10 26 f 186.8105 45.05880 9.032879       3.913779  16.60821       6.938434  5.497795       4.739807  248.0665 60.09409 152.2562 53.45744 95.81033       80.43008 
1 1 1 4   10 27 o 186.7170 48.28727 9.194709       4.272803  9.360311       5.169648  8.837694       7.590539  187.0854 55.05444 186.0750 67.38711 1.010376       87.01732 
1 1 1 4   10 28 o 201.6005 39.18385 10.43398       3.582075  12.68655       5.249375  8.471066       4.900264  216.9438 52.09517 177.6817 53.91541 39.26204       74.97185 
1 1 1 4   10 29 o 322.1821 26.78809 25.34683       4.023062  22.30458       5.606397  28.57632       5.776347  294.6228 41.61089 336.7891 37.07480 -42.16629      55.73156 
1 1 1 4   10 30 o 233.7134 36.22763 13.94642       3.853934  16.89861       5.578060  11.25005       5.330907  250.1518 49.15657 200.2948 54.93165 49.85703       73.71468 
1 1 1 4   10 31 o 118.3463 51.29868 0.8642977      5.277022  -4.256837      7.215306  6.753865       7.737726  114.1417 53.47983 164.9215 65.93120 -50.77982      84.89414 
1 1 1 4   10 32 o 97.54247 42.08209 0.4664735      3.517685  -2.682818      6.036541  2.085775       4.328581  107.6784 49.93603 116.3090 48.23464 -8.630585      69.42757 
1 1 1 4   10 33 o 101.7047 41.88874 1.597008       3.233592  1.675089       5.775404  1.561355       3.902632  122.3111 53.33663 107.5089 45.27640 14.80222       69.96248 
1 1 1 4   10 34 o 173.5577 46.37494 8.896026       3.858325  12.51189       5.587510  5.600476       5.334284  196.2731 57.08794 140.4269 55.18417 55.84622       79.39978 
1 1 1 4   10 35 o 94.10900 44.29541 -2.347800      5.047731  0.000000       0.000000  -2.347800      5.047731  ?        ?        94.10900 44.29541 0.000000       44.29541 
1 1 1 4   12 0  o 1273.450 13.16577 381.9209       7.886739  394.7377       11.49768  370.5314       10.83855  1293.743 18.89264 1253.539 18.38079 40.20483       26.35878 
1 1 1 4   12 1  o 1300.122 13.41889 398.0995       8.206727  414.9564       12.05515  383.5397       11.20369  1326.405 19.32089 1275.322 18.67549 51.08325       26.87138 
1 1 1 4   12 2  o 748.2051 9.795706 131.7599       3.447670  142.0962       5.205407  123.6822       4.601699  776.6967 14.24734 724.6804 13.49902 52.01630       19.62678 
1 1 1 4   12 3  o 1147.192 13.91423 309.9544       7.508694  321.3437       15.11350  306.2218       8.652029  1165.781 27.55997 1139.999 16.13409 25.78296       31.93526 
1 1 1 4   12 4  o 962.7482 11.11881 218.1791       5.035473  229.9346       12.22580  215.7775       5.525949  986.5211 26.34519 957.3513 12.27061 29.16986       29.06264 
1 1 1 4   12 5  o 1524.232 15.61486 547.2194       11.19589  556.4804       23.98155  544.6384       12.66025  1533.216 33.25099 1520.324 17.70259 12.89197       37.66975 
1 1 1 4   12 6  o 1175.689 13.03277 325.3837       7.207726  335.4308       10.42883  316.1956       9.972970  1193.175 18.58070 1158.489 18.30051 34.68591       26.07971 
1 1 1 4   12 7  f 1556.553 16.08046 570.4930       11.77421  581.5116       16.94733  560.2120       16.37015  1570.608 22.93845 1541.631 22.57371 28.97754       32.18299 
1 1 1 4   12 8  o 1194.607 13.67695 335.8940       7.685708  332.5443       10.71687  339.4411       11.02828  1188.224 19.17346 1200.450 19.52966 -12.22644      27.36839 
1 1 1 4   12 9  o 1283.341 14.54843 387.6591       8.782691  400.2711       12.73084  376.2056       12.13199  1303.543 20.76167 1263.782 20.40754 39.76123       29.11211 
1 1 1 4   12 10 o 632.8314 12.36555 94.24150       3.681043  92.05285       5.056359  96.70944       5.369283  625.2875 17.19052 640.8841 17.81015 -15.59662      24.75308 
1 1 1 4   12 11 o 242.3161 20.83198 13.93282       2.351469  10.35071       3.266102  17.78779       3.388216  206.5487 34.85606 273.3779 26.68782 -66.82915      43.89971 
1 1 1 4   12 12 o 1778.303 21.87903 745.0856       18.30219  769.3223       33.72276  734.9659       21.79065  1803.392 39.75243 1765.513 26.23796 37.87854       47.63073 
1 1 1 4   12 13 o 461.9940 16.62307 50.25557       3.612576  52.14031       5.716725  49.00254       4.661241  469.4961 25.98603 456.0227 21.72930 13.47339       33.87383 
1 1 1 4   12 14 o 830.8716 13.98292 162.5073       5.465139  162.0015       7.700773  163.0205       7.757285  829.2310 19.74192 831.8291 19.82468 -2.598145      27.97788 
1 1 1 4   12 15 o 625.6907 18.01921 92.22170       5.303526  88.80466       6.140255  102.2592       10.52383  613.8025 21.26613 656.6629 34.18739 -42.86041      40.26197 
1 1 1 4   12 16 f 910.7807 19.01887 195.4847       8.148317  195.7491       11.45750  195.2141       11.59057  910.5305 26.75014 909.2394 27.09926 1.291077       38.07808 
1 1 1 4   12 17 o 630.9354 17.51465 93.80679       5.198233  88.10256       6.561855  103.4186       8.517851  611.0464 22.82880 661.5663 27.37079 -50.51990      35.64147 
1 1 1 4   12 18 o 728.1746 18.55497 125.0261       6.355726  121.3437       12.28808  126.3710       7.426230  713.8505 36.71812 731.7581 21.57405 -17.90753      42.58709 
1 1 1 4   12 19 o 597.3920 16.35267 84.13658       4.595338  88.39877       6.798670  80.55141       6.235384  611.5508 23.63318 583.8866 22.70206 27.66418       32.77058 
1 1 1 4   12 20 o 1010.612 16.12067 240.9031       7.663670  239.6437       10.96201  242.1071       10.71823  1006.450 23.15415 1011.769 22.52021 -5.319214      32.29976 
1 1 1 4   12 21 o 522.1849 24.62249 64.65805       6.048193  0.000000       0.000000  64.65805       6.048193  ?        ?        522.1849 24.62249 0.000000       24.62249 
1 1 1 4   12 22 o 348.1641 25.22257 28.95454       4.102880  37.14558       5.694618  20.11296       5.916432  393.1364 31.04562 284.3596 45.78483 108.7768       55.31800 
1 1 1 4   12 23 o 275.0503 27.14882 18.22094       3.466799  18.30680       4.964000  18.13918       4.843797  272.0961 39.97459 271.0958 39.11508 1.000275       55.92815 
1 1 1 4   12 24 o 479.6360 19.61852 54.60489       4.426366  46.18169       6.234084  63.16866       6.285892  437.2971 30.49680 513.4501 26.11158 -76.15298      40.14809 
1 1 1 4   12 25 o 179.0954 41.42287 8.201155       3.420257  8.723568       5.069119  7.764567       4.634055  182.9702 54.68379 173.4785 52.38369 9.491745       75.72561 
1 1 1 4   12 26 o 452.5340 32.48964 50.06725       6.870133  51.99168       9.937729  48.30559       9.508172  451.7693 47.47289 435.5379 47.16230 16.23141       66.91755 
1 1 1 4   12 27 o 453.8354 20.85885 49.22526       4.453054  45.74539       6.433849  52.42515       6.169600  431.8993 31.89351 464.4437 28.37546 -32.54443      42.68914 
1 1 1 4   12 28 o 103.8076 43.59123 0.8564349      3.600600  -0.7404329     4.655189  3.234245       5.680563  106.0472 46.99941 138.6818 56.11898 -32.63464      73.20030 
1 1 1 4   12 29 o 132.4752 44.98146 4.350151       3.346027  3.245965       4.855627  5.348626       4.617352  131.9141 52.39121 147.2207 52.65181 -15.30655      74.27686 
1 1 1 4   12 30 o 101.9133 43.57571 0.5799466      3.709291  -4.979192      6.791426  2.943247       4.428092  108.9963 51.32587 125.4566 49.96682 -16.46025      71.63119 
1 1 1 4   12 31 o 287.3208 31.56305 20.81442       4.195651  16.92628       6.920427  23.07416       5.275833  237.4768 61.47179 297.9914 38.54029 -60.51456      72.55435 
1 1 1 4   12 32 o 359.9545 24.82911 31.98865       4.178440  33.97741       7.191474  30.97509       5.133948  353.9315 44.15506 349.1535 31.60078 4.777924       54.29805 
1 1 1 4   12 33 o 79.09983 38.69869 -7.193817      4.808883  -7.193817      4.808883  0.000000       0.000000  79.09983 38.69869 ?        ?        0.000000       38.69869 
1 1 1 4   12 34 o 183.8918 45.18089 9.979605       3.880217  5.121879       5.578298  14.53329       5.400910  136.1429 55.42144 214.2811 53.69105 -78.13818      77.16388 
1 1 1 4   14 0  o 1169.685 14.68369 322.0542       8.079295  346.9085       15.38411  312.5887       9.493923  1212.816 26.96547 1152.170 17.51700 60.64624       32.15559 
1 1 1 4   14 1  o 1170.489 12.60210 322.4267       6.938727  343.8658       10.37397  305.0710       9.333910  1208.386 18.25031 1138.243 17.43248 70.14233       25.23817 
1 1 1 4   14 2  f 1337.312 15.77489 421.0158       9.923578  432.5010       12.67078  402.7943       15.95976  1355.069 19.87800 1307.042 25.95778 48.02747       32.69466 
1 1 1 4   14 3  o 924.2375 13.17314 201.0351       5.727196  244.6195       12.82191  190.1719       6.401266  1018.542 26.76114 898.8314 15.13973 119.7106       30.74687 
1 1 1 4   14 4  o 2012.684 19.45769 953.9948       18.42197  968.7872       38.69504  949.6594       20.94831  2023.883 40.64439 2007.721 22.18075 16.16125       46.30283 
1 1 1 4   14 5  o 508.9347 11.89444 60.94881       2.847576  68.57908       6.894598  59.37954       3.126716  538.6313 27.30043 502.3124 13.23260 36.31894       30.33835 
1 1 1 4   14 6  o 540.5665 10.24436 68.75177       2.604974  0.000000       0.000000  68.75177       2.604974  ?        ?        540.5665 10.24436 0.000000       10.24436 
1 1 1 4   14 7  o 903.5969 11.47660 192.1193       4.878173  190.8647       6.782852  193.4636       7.020858  900.4626 16.01317 906.5513 16.46374 -6.088684      22.96685 
1 1 1 4   14 8  o 1360.297 14.72140 435.5217       9.420029  444.2277       13.57377  427.4331       13.08361  1373.330 21.01147 1347.152 20.64626 26.17725       29.45760 
1 1 1 4   14 9  o 1484.868 17.90421 519.1351       12.50582  523.1816       15.73183  512.1879       20.61315  1490.188 22.44238 1473.510 29.73869 16.67700       37.25655 
1 1 1 4   14 10 o 505.9051 12.34770 60.22991       2.938491  64.70789       4.171308  55.81852       4.140174  524.2504 16.91470 486.8756 18.07721 37.37473       24.75666 
1 1 1 4   14 11 o 1137.744 14.07797 304.6878       7.534490  307.6078       10.73950  301.8575       10.57320  1142.747 19.97858 1132.026 19.85549 10.72119       28.16708 
1 1 1 4   14 12 o 1268.316 15.13280 378.7065       9.028515  369.0422       12.46673  389.3658       13.09276  1251.465 21.17701 1285.409 21.65311 -33.94421      30.28734 
1 1 1 4   14 13 o 988.4753 14.06839 230.0157       6.541534  232.0213       9.356395  228.0979       9.149334  992.3209 20.04412 983.9195 19.76790 8.401428       28.15203 
1 1 1 4   14 14 o 1115.777 14.81947 293.1365       7.778208  293.3917       10.99138  292.8806       11.00874  1115.654 20.94369 1114.676 20.99518 0.9782715      29.65528 
1 1 1 4   14 15 o 410.1933 17.50470 39.64295       3.377634  33.51019       4.586879  46.90749       4.992212  375.8407 26.10640 445.2271 23.92418 -69.38641      35.41060 
1 1 1 4   14 16 o 290.0228 28.90459 20.08492       3.890844  17.93124       4.423730  27.44352       8.177020  272.7955 35.30124 334.4924 53.79159 -61.69687      64.34060 
1 1 1 4   14 17 o 826.4500 15.08035 160.9276       5.862696  165.5140       8.444264  156.6594       8.145988  837.3995 21.43679 814.7163 21.25534 22.68323       30.18817 
1 1 1 4   14 18 o 115.1692 41.26429 2.701094       2.837288  7.244181       4.154690  -1.269353      3.884032  171.4657 49.03992 96.79774 42.91380 74.66797       65.16524 
1 1 1 4   14 19 o 250.0934 34.83817 15.18661       3.987214  15.08324       8.933263  15.21232       4.455651  243.7198 72.53758 249.2871 39.29795 -5.567322      82.49866 
1 1 1 4   14 20 o 364.9649 26.09687 31.77678       4.450760  30.71079       5.124976  35.04757       8.977188  357.7749 30.75061 375.9242 52.17225 -18.14935      60.56025 
1 1 1 4   14 21 o 636.2990 17.18694 95.68744       5.144332  95.48398       7.394855  95.87823       7.161140  633.9758 24.79634 635.4944 23.95527 -1.518555      34.47773 
1 1 1 4   14 22 o 328.4084 29.83605 26.00681       4.558900  23.16731       5.284075  34.27468       9.016634  307.6544 37.27269 368.3927 53.60323 -60.73828      65.28828 
1 1 1 4   14 23 o 523.0038 18.09005 64.82214       4.450552  63.28117       6.353762  66.30649       6.235955  513.9424 26.37011 527.1149 25.14944 -13.17249      36.44004 
1 1 1 4   14 24 f 120.1861 44.73455 2.891709       3.382318  1.881094       5.656202  3.454243       4.219944  133.0618 55.15629 132.0528 49.80443 1.008926       74.31485 
1 1 1 4   14 25 o 240.2655 38.49048 14.50465       4.203389  9.429252       8.262511  16.27686       4.882405  193.5454 70.27384 253.1617 42.50476 -59.61638      82.12836 
1 1 1 4   14 26 o 81.83671 36.71639 -1.103788      2.932628  -3.986079      4.287472  1.430287       4.020148  87.09396 40.94029 113.2641 46.68466 -26.17015      62.09320 
1 1 1 4   14 27 o 221.4360 35.85817 12.35926       3.607419  16.11027       4.847162  7.702141       5.400977  250.3235 42.69559 171.5360 57.14896 78.78754       71.33665 
1 1 1 4   14 28 o 238.8430 39.41338 14.60974       4.273709  12.52248       4.946530  20.75505       8.487596  215.8730 49.73514 267.2796 67.49291 -51.40662      83.83839 
1 1 1 4   14 29 o 146.5531 44.91552 5.648942       3.389395  0.5093744      4.569596  11.93469       5.053508  111.0700 47.94056 208.1784 51.81057 -97.10842      70.58777 
1 1 1 4   14 30 o 123.8493 44.90874 3.638345       3.372713  6.275268       5.712777  2.227496       4.178676  155.9050 58.11651 117.6226 47.93440 38.28248       75.33416 
1 1 1 4   14 31 o 285.4011 34.58620 20.92676       4.548495  0.000000       0.000000  20.92676       4.548495  ?        ?        285.4011 34.58620 0.000000       34.58620 
1 1 1 4   14 32 o 110.2379 44.44873 2.296245       3.549789  3.195601       5.046721  1.415577       4.994014  126.6855 52.27232 115.6470 50.01638 11.03848       72.34662 
1 1 1 4   14 33 o 121.1052 45.68176 3.767265       3.550542  2.829073       5.105072  4.646255       4.941378  122.0294 51.60853 133.1606 52.86268 -11.13120      73.87762 
1 1 1 4   16 0  o 1152.535 12.55932 312.5753       6.809096  324.4084       9.886542  301.8974       9.391547  1173.859 17.90438 1132.416 17.63039 41.44299       25.12762 
1 1 1 4   16 1  o 1307.433 15.61052 402.3444       9.600772  418.6582       12.27452  376.6350       15.40896  1333.395 19.56936 1264.155 25.91217 69.24036       32.47153 
1 1 1 4   16 2  o 601.3850 9.410033 85.08662       2.662030  88.90792       3.656976  80.77947       3.882497  614.6744 12.64758 585.8684 14.08776 28.80603       18.93215 
1 1 1 4   16 3  o 885.6755 13.22287 184.5956       5.508958  188.9418       10.79210  183.0641       6.406509  895.3801 25.62294 881.9076 15.44291 13.47247       29.91686 
1 1 1 4   16 4  f 459.0914 11.63899 49.59313       2.513529  57.63972       6.473214  48.16451       2.727548  493.6488 27.99133 452.4104 12.81653 41.23840       30.78601 
1 1 1 4   16 5  o 1127.090 17.81112 299.0873       9.443194  0.000000       0.000000  299.0873       9.443194  ?        ?        1127.090 17.81112 0.000000       17.81112 
1 1 1 4   16 6  o 1744.868 26.14284 717.7079       21.45777  706.8966       29.89845  729.1915       30.81398  1729.768 36.74442 1756.718 37.28865 -26.94910      52.35070 
1 1 1 4   16 7  o 2357.543 26.41152 1310.402       29.29021  1381.689       54.96235  1282.127       34.61506  2413.983 48.40183 2330.768 31.57162 83.21509       57.78844 
1 1 1 4   16 8  o 1011.223 13.37242 240.6661       6.361009  239.4166       8.069213  242.7170       10.33834  1008.392 17.01110 1014.988 21.65311 -6.596252      27.53607 
1 1 1 4   16 9  o 1292.196 14.46507 393.0483       8.792620  417.8968       13.19005  373.1756       11.79574  1331.816 21.05391 1258.651 19.92281 73.16589       28.98595 
1 1 1 4   16 10 o 864.1799 12.14635 175.7568       4.937638  176.6525       6.930398  174.8334       7.036561  866.1260 17.01014 861.6335 17.36075 4.492493       24.30515 
1 1 1 4   16 11 o 1258.982 14.69312 373.1620       8.701674  379.3710       12.41059  367.1579       12.20407  1268.800 20.79361 1248.211 20.78487 20.58923       29.40042 
1 1 1 4   16 12 o 777.1635 12.75950 142.1709       4.664610  135.2228       6.384250  150.1279       6.831999  757.6415 17.91335 798.2863 18.19365 -40.64471      25.53227 
1 1 1 4   16 13 o 503.0433 13.94954 59.58157       3.300917  61.21292       4.601456  57.85202       4.737938  509.6416 19.19380 495.3923 20.33157 14.24930       27.96023 
1 1 1 4   16 14 o 885.9390 17.09377 184.9415       7.123789  184.4805       8.320981  186.2069       13.78520  884.5387 19.99809 886.7683 33.04711 -2.229614      38.62687 
1 1 1 4   16 15 o 541.2457 18.44671 69.07042       4.696589  80.11297       9.879594  65.84631       5.338374  579.7476 36.41179 528.2322 21.48399 51.51538       42.27742 
1 1 1 4   16 16 o 352.1716 19.10126 29.34718       3.152523  26.24163       4.382398  32.67772       4.538373  331.6951 28.35950 370.7443 26.19147 -39.04913      38.60381 
1 1 1 4   16 17 o 118.5385 44.74829 2.484946       3.408604  1.885622       3.903679  4.408442       6.993406  118.6249 47.01909 163.6541 63.50347 -45.02927      79.01573 
1 1 1 4   16 18 f 274.1110 25.73988 17.96678       3.280089  14.61356       5.061142  20.39522       4.307058  242.4202 46.06649 290.9893 31.99379 -48.56909      56.08676 
1 1 1 4   16 19 o 281.9101 24.14011 18.98193       3.170370  15.85851       4.501158  22.05702       4.466208  254.2149 38.87580 302.4514 31.87143 -48.23650      50.27043 
1 1 1 4   16 20 o 164.8732 44.80869 6.827787       3.566087  0.2008324      8.231690  8.358839       3.956644  149.2667 64.38583 181.8519 46.16995 -32.58525      79.22878 
1 1 1 4   16 21 o 312.0505 22.91357 23.26016       3.339945  22.02851       4.773406  24.44150       4.674926  300.7440 34.35796 317.7484 31.69991 -17.00439      46.74776 
1 1 1 4   16 22 o 350.4554 21.48267 29.29994       3.524437  28.62302       4.984197  29.97691       4.984416  343.7128 31.16582 352.0548 30.39584 -8.342010      43.53408 
1 1 1 4   16 23 o 222.1672 39.12866 12.39191       3.939881  12.98921       4.541157  10.57372       7.922970  225.7623 44.34296 202.4912 69.21477 23.27113       82.20087 
1 1 1 4   16 24 o 455.9762 20.78712 49.53324       4.458676  43.25208       6.905693  54.02348       5.838779  419.7652 35.30064 473.6999 26.30644 -53.93469      44.02458 
1 1 1 4   16 25 o 127.1818 42.69534 3.867388       3.014216  6.067253       4.265888  1.673994       4.259609  155.2517 50.74531 117.7210 48.23332 37.53062       70.01099 
1 1 1 4   16 26 f 246.7688 35.24665 15.22139       3.975200  0.6429846      7.180345  21.66441       4.773480  137.2630 59.66869 295.2145 35.05920 -157.9516      69.20621 
1 1 1 4   16 27 f 253.4099 28.33001 15.76861       3.319277  14.61724       4.741032  16.87555       4.648665  237.0585 44.13982 257.3434 39.67663 -20.28488      59.35114 
1 1 1 4   16 28 o 80.35145 36.69443 -1.643971      3.088515  1.366059       4.369053  -4.650605      4.366587  114.8126 48.10522 84.69336 40.25730 30.11919       62.72768 
1 1 1 4   16 29 o 88.53107 40.90301 -2.418866      3.994789  -1.980083      5.044336  -3.156956      6.542350  102.7722 46.91851 112.7617 52.18475 -9.989555      70.17545 
1 1 1 4   16 30 o 281.1657 27.32421 19.62491       3.568280  10.95422       5.855965  24.74561       4.500243  192.0381 59.06883 313.8027 30.88695 -121.7646      66.65681 
1 1 1 4   16 31 o 335.3308 23.67486 27.67642       3.710486  23.43044       6.079184  30.19735       4.684220  291.6044 45.82997 346.5762 28.99872 -54.97180      54.23386 
1 1 1 4   16 32 o 88.76159 39.16095 -0.4852656E-01 3.196372  -5.784781      5.029641  3.837693       4.139868  85.35516 41.24839 125.2086 48.78302 -39.85344      63.88437 
1 1 1 4   18 0  o 1027.631 11.83635 248.5001       5.721685  261.0866       8.331203  237.2636       7.871704  1053.071 16.81825 1003.887 16.66920 49.18420       23.67944 
1 1 1 4   18 1  o 830.1854 13.11771 162.2002       5.122740  164.1498       9.484895  161.3973       6.086874  834.5577 24.16055 828.0233 15.62725 6.534363       28.77400 
1 1 1 4   18 2  o 303.0801 9.779148 21.61230       1.394209  21.33870       1.680444  22.21661       2.497424  301.1315 11.86311 306.6849 17.38282 -5.553406      21.04509 
1 1 1 4   18 3  o 627.6836 10.46532 92.70261       3.090028  103.1523       4.841714  85.52130       4.013740  661.9589 15.54887 602.7831 14.15529 59.17578       21.02712 
1 1 1 4   18 4  o 723.5392 12.62819 123.2022       4.298061  114.3282       8.962442  125.8526       4.898036  696.2396 27.36518 731.2220 14.23978 -34.98248      30.84841 
1 1 1 4   18 5  o 1502.638 23.78837 532.2086       16.81468  535.6719       23.93677  528.8348       23.62537  1505.875 33.79150 1496.277 33.56583 9.597900       47.62910 
1 1 1 4   18 6  o 691.9182 20.18223 112.7843       6.568906  109.6017       9.208379  116.0820       9.373494  681.5234 28.72322 701.4069 28.40941 -19.88348      40.39948 
1 1 1 4   18 7  o 558.2333 21.80869 73.43943       5.726836  75.92153       8.200104  71.07610       8.001486  566.1917 30.90521 547.7355 31.18393 18.45618       43.90409 
1 1 1 4   18 9  o 560.3193 12.91952 73.90175       3.405268  63.04995       8.321337  76.08455       3.732065  515.1561 34.53872 568.4965 13.95572 -53.34039      37.25165 
1 1 1 4   18 10 o 1063.959 12.93618 266.4796       6.474411  273.8452       9.398689  259.8279       8.931560  1078.073 18.53317 1050.164 18.08010 27.90906       25.89148 
1 1 1 4   18 11 o 1189.710 15.58119 333.3672       8.719886  335.6124       14.00038  331.9443       11.14568  1192.417 24.95987 1186.640 19.96725 5.776733       31.96383 
1 1 1 4   18 12 o 398.5317 13.34726 37.39922       2.502214  38.44273       3.490324  36.29584       3.589071  403.8465 18.37300 392.3567 19.44607 11.48984       26.75288 
1 1 1 4   18 13 o 1037.301 13.90446 253.4349       6.784663  258.7214       9.728892  248.4297       9.466415  1047.308 19.74784 1026.287 19.60864 21.02124       27.82941 
1 1 1 4   18 14 o 593.8430 14.53156 83.09269       4.059318  82.49220       5.296328  83.94769       6.319817  591.3130 19.04093 596.1391 22.53655 -4.826050      29.50344 
1 1 1 4   18 15 o 264.0868 21.39934 16.58419       2.635519  23.60235       3.879456  10.56907       3.591545  314.6051 26.45986 207.3364 38.23308 107.2687       46.49616 
1 1 1 4   18 16 o 484.6411 15.37101 55.39303       3.504226  55.28640       4.969121  55.49851       4.942434  483.5083 21.84773 484.4541 21.68797 -0.9457703     30.78460 
1 1 1 4   18 17 o 103.3067 39.13277 1.859895       2.612498  1.503270       4.013458  2.122105       3.441419  116.4648 47.15605 115.2136 44.59171 1.251213       64.90079 
1 1 1 4   18 18 o 304.8908 20.54001 22.10287       2.928713  21.09786       4.090249  23.16021       4.195404  296.0675 29.77269 310.4902 29.06288 -14.42273      41.60606 
1 1 1 4   18 19 o 147.8843 38.63533 5.471817       2.717242  4.602541       3.853546  6.331428       3.832064  141.6369 48.27155 159.5817 47.51180 -17.94475      67.73119 
1 1 1 4   18 20 o 132.4095 41.77410 4.239758       2.908371  4.602506       3.834668  3.748514       4.462462  141.1043 48.15286 137.5263 51.34497 3.577957       70.39179 
1 1 1 4   18 21 o 405.1019 19.10706 38.92678       3.641057  46.98508       5.519431  32.71813       4.844750  442.5439 26.63771 368.5638 28.15711 73.98013       38.76068 
1 1 1 4   18 22 o 454.4830 17.64834 48.97784       3.773035  42.84123       5.279689  55.38282       5.393898  422.0608 26.73084 481.6946 23.80464 -59.63385      35.79383 
1 1 1 4   18 23 o 321.3610 23.19467 24.78741       3.482751  21.00476       5.499067  27.32089       4.500389  289.2215 41.61787 335.7022 28.77698 -46.48074      50.59804 
1 1 1 4   18 24 o 596.1004 20.27087 84.65186       5.684093  81.15123       6.471871  96.46255       11.88760  582.3191 23.62651 623.2527 40.77190 -40.93359      47.12281 
1 1 1 4   18 25 o 415.5218 19.43306 41.14057       3.798431  38.19988       5.387352  44.04753       5.356367  396.2610 29.10545 426.6907 26.82276 -30.42963      39.58014 
1 1 1 4   18 26 o 119.7331 41.85535 3.323305       2.904161  2.072544       4.101258  4.581222       4.112974  118.2710 47.74546 139.4054 49.71033 -21.13440      68.92566 
1 1 1 4   18 27 o 175.6097 38.41959 7.988333       3.085475  7.145709       4.432243  8.780651       4.297900  163.8007 51.55606 180.5017 49.24864 -16.70094      71.29836 
1 1 1 4   18 28 o 157.3673 38.20879 6.487723       2.800104  7.809553       4.171091  5.403338       3.777926  169.2699 49.35019 144.1568 47.78581 25.11305       68.69443 
1 1 1 4   18 29 o 173.9770 40.19725 8.071372       3.223575  1.733353       5.201797  12.02290       4.107325  122.2797 51.92572 211.9043 42.68087 -89.62458      67.21560 
1 1 1 4   18 30 o 145.7242 41.41672 5.783283       2.973005  5.719382       4.944517  5.819467       3.720705  146.3446 54.16333 145.3714 47.38583 0.9732361      71.96584 
1 1 1 4   18 31 o 86.36292 38.46845 -0.4045382     3.157712  0.3219382      4.821806  -0.9500595     4.178351  107.8642 47.81752 95.17115 43.15839 12.69305       64.41399 
1 1 1 4   20 0  o 1014.806 13.68575 242.4185       6.533125  259.9312       8.385393  215.3686       10.42148  1050.589 16.96763 955.7750 23.17953 94.81415       28.72614 
1 1 1 4   20 1  o 1569.766 18.41430 580.4465       13.59752  588.4627       16.72251  564.8038       23.35994  1579.984 22.49984 1546.099 32.11922 33.88428       39.21590 
1 1 1 4   20 2  o 256.7909 18.01951 15.60823       2.162882  21.66469       4.893974  14.13817       2.411130  300.6350 35.27661 244.0117 21.21705 56.62331       41.16555 
1 1 1 4   20 3  o 166.6656 20.73880 6.646842       1.590755  5.726101       2.419084  7.348321       2.111493  152.6144 34.50624 174.5061 26.56034 -21.89165      43.54461 
1 1 1 4   20 4  o 334.6883 12.75521 26.36658       2.008155  0.000000       0.000000  26.36658       2.008155  ?        ?        334.6883 12.75521 0.000000       12.75521 
1 1 1 4   20 5  o 1657.839 25.53014 648.5108       19.90970  674.7920       29.43189  626.3378       27.03385  1688.105 37.06375 1626.870 35.32529 61.23572       51.20154 
1 1 1 4   20 6  o 1301.879 22.66736 399.7022       13.88164  409.9286       20.23246  390.6064       19.08129  1316.543 32.66962 1285.378 31.55786 31.16565       45.42250 
1 1 1 4   20 7  o 507.5537 33.75037 61.23663       8.012115  61.23663       8.012115  0.000000       0.000000  507.5537 33.75037 ?        ?        0.000000       33.75037 
1 1 1 4   20 8  o 764.7458 21.46945 137.9333       7.723380  130.2913       10.87182  145.7194       10.97392  742.1340 31.14229 785.0463 29.71646 -42.91229      43.04544 
1 1 1 4   20 9  o 874.3719 21.72305 180.3743       8.934830  186.1177       13.04375  175.2973       12.26380  886.7166 31.27148 860.7245 30.28946 25.99207       43.53570 
1 1 1 4   20 10 o 817.4525 31.33638 158.2937       12.04982  0.000000       0.000000  158.2937       12.04982  ?        ?        817.4525 31.33638 0.000000       31.33638 
1 1 1 4   20 11 o 361.3189 9.818896 30.72988       1.668870  31.84173       2.347158  29.59309       2.373338  367.6663 13.57123 354.4199 14.23548 13.24643       19.66792 
1 1 1 4   20 12 o 418.5324 11.45357 41.24924       2.254962  42.81750       3.186119  39.67530       3.191883  426.1790 15.89281 410.2041 16.54160 15.97491       22.93918 
1 1 1 4   20 13 o 648.9196 16.61843 99.32353       5.072828  99.32353       5.072828  0.000000       0.000000  648.9196 16.61843 ?        ?        0.000000       16.61843 
1 1 1 4   20 14 f 256.0435 18.17785 15.55534       2.175174  13.04452       3.000554  18.33619       3.157788  232.8284 27.95547 277.1980 24.46831 -44.36961      37.15113 
1 1 1 4   20 15 o 301.4725 17.75623 21.53805       2.506952  23.66918       3.616557  19.56684       3.478219  315.0502 24.59819 285.9953 26.14320 29.05484       35.89621 
1 1 1 4   20 16 o 285.7880 18.98100 19.39597       2.537203  22.60073       3.651714  16.40503       3.527789  307.4888 25.47579 260.8859 29.24998 46.60291       38.78888 
1 1 1 4   20 17 o 488.4686 14.85894 56.32701       3.414237  61.07681       4.978934  52.11096       4.690853  507.7416 20.84608 468.9271 21.26558 38.81451       29.77892 
1 1 1 4   20 18 o 145.9365 36.06311 5.330834       2.461400  1.433678       3.461378  9.317376       3.500848  108.9093 43.89920 192.8174 39.91225 -83.90813      59.33067 
1 1 1 4   20 19 o 235.1087 25.88992 13.33843       2.815854  12.83290       3.757095  13.98633       4.253356  227.8372 36.27170 237.0757 39.53161 -9.238541      53.65058 
1 1 1 4   20 20 o 552.9562 15.55195 72.32540       4.045245  67.47922       5.637155  77.47043       5.808367  532.4598 22.50628 570.7750 21.63315 -38.31519      31.21740 
1 1 1 4   20 21 o 264.5757 23.31605 16.81748       2.872182  15.17853       4.024487  18.51879       4.100332  247.7815 35.54624 275.2125 32.28583 -27.43103      48.01989 
1 1 1 4   20 22 o 316.8431 21.29544 24.01223       3.155514  23.24204       4.552998  24.72414       4.377326  308.5500 31.82611 319.1326 29.49229 -10.58261      43.39005 
1 1 1 4   20 23 o 197.3768 31.49309 9.649785       2.825742  11.19618       4.090928  8.238764       3.907768  209.0142 43.04150 178.1775 46.22733 30.83665       63.16277 
1 1 1 4   20 24 o 279.5381 23.40382 18.84192       3.049175  21.14340       4.410059  16.73400       4.220549  293.0274 32.54358 259.1685 35.55639 33.85892       48.20105 
1 1 1 4   20 25 o 94.74313 40.00593 0.5031977      3.059953  1.469006       4.047380  -0.7853746     4.675014  113.4090 46.80462 106.3956 47.12926 7.013367       66.42168 
1 1 1 4   20 26 o 95.91332 38.31569 1.353474       2.611185  1.503605       3.698857  1.204327       3.686718  109.4513 44.90749 107.0770 44.46947 2.374329       63.19981 
1 1 1 4   20 27 o 284.7758 24.13476 19.75830       3.202657  28.28384       4.760773  12.71068       4.328505  337.9304 30.26964 219.2946 43.49646 118.6358       52.99239 
1 1 1 4   20 28 o 62.13167 30.04316 -3.949525      2.677592  -9.027944      4.467816  -1.103210      3.344818  72.20666 35.70615 86.36795 38.93992 -14.16129      52.83225 
1 1 1 4   20 29 o 106.1497 40.50525 2.374085       2.811934  7.012486       4.532016  -0.5292656     3.585561  157.5997 52.34271 92.06297 41.00076 65.53675       66.48927 
1 1 1 4   22 0  o 1271.751 13.74703 380.8635       8.223948  397.3971       11.95977  366.0334       11.32686  1298.253 19.58368 1246.009 19.32498 52.24341       27.51318 
1 1 1 4   22 1  o 413.8470 10.12879 40.30933       1.971817  40.04378       2.464775  40.78141       3.286352  412.4036 12.70532 416.0234 16.79295 -3.619812      21.05773 
1 1 1 4   22 3  o 363.5494 12.34683 31.11776       2.111486  33.20452       3.259624  29.60910       2.771576  375.3055 18.46347 354.4806 16.62130 20.82486       24.84285 
1 1 1 4   22 4  o 627.6629 28.00088 93.16291       8.267372  0.000000       0.000000  93.16291       8.267372  ?        ?        627.6629 28.00088 0.000000       28.00088 
1 1 1 4   22 5  o 675.9094 31.08169 108.2045       9.882401  108.2045       9.882401  0.000000       0.000000  675.9094 31.08169 ?        ?        0.000000       31.08169 
1 1 1 4   22 6  o 485.9543 34.71074 56.33175       7.882452  56.33175       7.882452  0.000000       0.000000  485.9543 34.71074 ?        ?        0.000000       34.71074 
1 1 1 4   22 7  o 726.3411 21.48678 124.5516       7.341438  130.0535       10.71233  119.6790       10.08112  740.7600 30.74235 710.7030 30.15445 30.05701       43.06254 
1 1 1 4   22 8  o 894.8221 21.72143 189.1056       9.143121  206.9263       13.74730  174.9703       12.24359  933.9708 31.29067 859.0588 30.29818 74.91193       43.55555 
1 1 1 4   22 9  o 867.7869 21.66714 177.9063       8.844719  190.1902       13.18852  167.8656       11.92356  895.0908 31.32273 841.2071 30.13240 53.88373       43.46350 
1 1 1 4   22 10 o 1259.440 23.71524 375.2274       14.04994  377.8240       20.15040  372.7705       19.60026  1259.981 33.99777 1251.831 33.28486 8.150024       47.57868 
1 1 1 4   22 11 o 237.4277 44.14549 13.95678       4.748979  12.87753       6.899076  14.92866       6.546896  225.5572 62.73895 242.7306 58.10949 -17.17342      85.51543 
1 1 1 4   22 12 o 711.0740 23.85577 119.7574       7.979536  119.5898       11.42862  119.9168       11.14621  707.9464 34.31818 709.1779 33.41202 -1.231506      47.89677 
1 1 1 4   22 13 o 544.5099 9.999750 69.82961       2.561322  69.39191       3.690897  70.23621       3.557308  542.3993 14.46584 545.7528 13.85659 -3.353516      20.03161 
1 1 1 4   22 14 o 613.0134 14.83538 88.67727       4.277973  92.06455       4.793296  75.41618       9.484151  624.3956 16.31943 559.6696 36.21860 64.72607       39.72544 
1 1 1 4   22 15 o 397.3887 13.35045 37.25252       2.495633  37.08233       3.503427  37.42783       3.555875  395.9041 18.81195 397.7199 19.00640 -1.815826      26.74196 
1 1 1 4   22 16 o 62.05823 28.61905 -1.496623      1.942298  -2.737935      2.775313  -0.3050017     2.719196  70.73894 33.15161 84.91122 36.81496 -14.17229      49.54160 
1 1 1 4   22 17 o 324.6924 21.14759 25.12222       3.212373  18.38585       7.868537  26.46955       3.518991  264.0698 64.01031 333.0197 22.59731 -68.94995      67.88194 
1 1 1 4   22 18 o 130.8748 34.94856 4.279663       2.192097  2.122866       3.155116  6.292306       3.047853  111.2382 42.79596 157.7954 40.77003 -46.55725      59.10744 
1 1 1 4   22 19 o 114.3659 36.99968 3.101621       2.270633  -0.2799571     3.301213  6.137833       3.128095  93.52247 40.55627 155.6905 41.82251 -62.16801      58.25748 
1 1 1 4   22 20 o 296.3997 19.93412 20.96056       2.763197  22.14937       4.123513  19.99165       3.722661  302.2858 29.36958 287.4817 27.87836 14.80408       40.49413 
1 1 1 4   22 21 o 210.6989 27.65997 10.82935       2.675232  10.09043       3.855113  11.51570       3.715450  198.8582 42.50118 214.1532 38.28758 -15.29503      57.20393 
1 1 1 4   22 22 o 238.2670 24.55220 13.73043       2.712426  12.53507       3.841692  14.91867       3.830233  223.3633 37.91888 245.5040 34.08601 -22.14072      50.98723 
1 1 1 4   22 23 o 427.5257 17.67165 43.44154       3.553928  47.03728       5.257448  40.41592       4.822677  441.7413 25.40807 409.4676 25.15981 32.27374       35.75732 
1 1 1 4   22 24 o 415.6451 19.23622 41.20478       3.761073  37.90558       4.853233  46.16528       5.950996  395.5111 26.23464 435.1357 29.24324 -39.62451      39.28643 
1 1 1 4   22 25 o 161.8751 34.83046 6.707017       2.573569  5.828543       3.762718  7.479216       3.527782  149.8463 47.54090 168.2942 44.04863 -18.44786      64.81065 
1 1 1 4   22 26 f 82.81569 35.43877 0.1743828      2.456936  1.261648       3.584707  -0.7888846     3.374111  105.7219 43.87361 89.22540 39.75254 16.49648       59.20438 
1 1 1 4   22 27 o 89.83817 37.76320 0.6498232      2.706606  3.017241       4.502902  -0.6893651     3.386693  125.7896 50.29271 89.41045 39.83141 36.37917       64.15526 
1 1 1 4   22 28 o 230.1801 28.62286 13.31460       3.032280  11.84007       4.957108  14.19622       3.833054  203.0996 51.74068 233.6460 36.03395 -30.54640      63.05191 
1 1 1 4   24 0  o 261.4325 13.00188 16.10061       1.598951  18.62896       1.995777  11.56912       2.671862  280.7242 15.16973 219.5235 26.40359 61.20070       30.45112 
1 1 1 4   24 1  o 360.7265 10.48901 30.63667       1.779844  29.57628       2.165143  32.84664       3.125695  354.3317 12.98994 373.1498 17.80714 -18.81815      22.04161 
1 1 1 4   24 2  o 724.1888 10.43526 123.4780       3.554877  127.7536       4.920830  118.8110       5.141110  736.2972 14.20745 709.9420 15.39447 26.35522       20.94854 
1 1 1 4   24 3  o 654.2416 10.61718 100.7830       3.267509  106.2252       4.913564  96.46835       4.375082  671.2553 15.56108 639.7801 14.53738 31.47522       21.29513 
1 1 1 4   24 4  o 324.8942 26.54394 25.16325       4.021296  29.24495       6.142457  22.10167       5.319788  348.1315 38.13225 302.0544 38.30083 46.07709       54.04649 
1 1 1 4   24 5  o 808.8702 20.40839 154.5431       7.765276  174.8514       11.96726  139.7741       10.20547  858.3527 29.63873 767.7525 28.25807 90.60022       40.95086 
1 1 1 4   24 6  o 238.5562 38.88074 13.93540       4.212794  14.97622       6.122333  12.99941       5.805840  243.8941 54.71091 227.0637 54.94933 16.83043       77.54169 
1 1 1 4   24 7  o 215.6339 44.05999 11.56178       4.318238  10.96314       6.298490  12.09275       5.931812  209.1200 60.54995 218.7585 57.05131 -9.638519      83.19344 
1 1 1 4   24 8  o 706.1559 21.66452 117.9415       7.196460  124.1677       10.62464  112.6635       9.782143  722.3801 31.26650 688.3664 30.20961 34.01373       43.47660 
1 1 1 4   24 9  o 229.2724 56.33848 13.35018       6.032687  0.000000       0.000000  13.35018       6.032687  ?        ?        229.2724 56.33848 0.000000       56.33848 
1 1 1 4   24 10 o 432.7940 26.34199 44.63166       5.337374  50.50536       7.783161  39.41736       7.333285  457.9000 36.43541 403.4156 39.13584 54.48434       53.47104 
1 1 1 4   24 11 o 676.7079 22.99241 108.5404       7.319055  103.6266       10.15482  113.8526       10.55839  658.6060 32.77759 690.4245 32.50964 -31.81848      46.16543 
1 1 1 4   24 12 o 464.8249 28.00107 51.62550       6.093984  53.59691       9.020369  49.97028       8.265424  469.4385 41.26766 453.9362 39.08922 15.50229       56.84177 
1 1 1 4   24 13 o 660.7837 35.28156 105.1427       10.92704  0.000000       0.000000  105.1427       10.92704  ?        ?        660.7837 35.28156 0.000000       35.28156 
1 1 1 4   24 14 o 531.1691 12.78335 66.55676       3.194088  68.72771       9.657908  66.29014       3.384543  532.0135 38.86029 530.0040 13.57537 2.009460       41.16325 
1 1 1 4   24 15 f 95.83882 22.73562 2.268753       1.009516  3.956600       1.741274  1.414208       1.238991  126.1455 29.81579 80.18100 27.37106 45.96450       40.47415 
1 1 1 4   24 16 o 620.4819 11.51091 90.79749       3.359760  89.82581       4.917399  91.64820       4.601185  616.1769 16.96527 622.6561 15.70913 -6.479187      23.12136 
1 1 1 4   24 17 o 142.5971 27.27346 5.015604       1.762781  3.566678       2.649252  6.166774       2.361403  122.7253 39.98412 157.2758 32.97221 -34.55043      51.82563 
1 1 1 4   24 18 o 207.6495 26.72948 10.47081       2.550284  1.073127       6.565090  12.14097       2.767641  137.3893 58.33786 223.8136 26.82209 -86.42426      64.20850 
1 1 1 4   24 19 o 391.2411 15.03762 36.20798       2.767534  39.09995       4.049215  33.67273       3.791273  404.8586 21.33705 375.5769 21.54953 29.28165       30.32576 
1 1 1 4   24 20 o 383.1501 16.29870 34.78287       2.937589  28.03740       4.039778  42.35201       4.279320  341.3461 25.33981 421.0710 21.67836 -79.72491      33.34752 
1 1 1 4   24 21 o 620.6246 21.20504 91.84523       6.190666  89.68491       7.500352  96.46255       10.96523  611.1464 26.08958 626.1224 37.40060 -14.97601      45.60122 
1 1 1 4   24 22 o 387.2231 17.15921 35.62344       3.125561  35.73685       4.637256  35.52903       4.231042  384.6225 25.77967 384.3465 23.51522 0.2759705      34.89351 
1 1 1 4   24 23 o 72.80109 32.32933 -0.6411224     2.213328  7.597860       3.474851  -6.265791      2.871097  170.4622 43.26198 57.86189 28.61460 112.6003       51.86901 
1 1 1 4   24 24 o 268.1440 25.63267 17.54634       3.193800  15.77289       6.795940  18.04905       3.618260  236.0302 60.82732 270.7111 28.85834 -34.68083      67.32583 
1 1 1 4   24 25 o 85.50070 37.48668 -0.3066098     2.887361  -2.081836      3.298195  5.517242       5.973855  80.85681 37.29018 153.1302 58.89368 -72.27342      69.70670 
1 1 1 4   24 26 o 196.0244 60.50103 11.34067       6.137421  0.000000       0.000000  11.34067       6.137421  ?        ?        196.0244 60.50103 0.000000       60.50103 
1 1 1 4   26 0  o 454.9764 11.95400 48.77510       2.558417  52.85609       3.039336  38.85256       4.739223  473.4990 13.64553 404.0802 25.05631 69.41879       28.53102 
1 1 1 4   26 1  o 385.1461 10.39316 34.93670       1.882966  35.18186       2.375596  34.52236       3.088326  386.3423 13.07167 382.4060 17.16837 3.936279       21.57827 
1 1 1 4   26 2  o 894.8577 16.51823 188.9957       6.953234  0.000000       0.000000  188.9957       6.953234  ?        ?        894.8577 16.51823 0.000000       16.51823 
1 1 1 4   26 3  o 804.9561 11.31095 152.6513       4.282925  166.7219       6.637700  142.6145       5.606085  840.4030 16.79039 777.5071 15.32802 62.89581       22.73467 
1 1 1 4   26 4  o 825.3280 20.19323 161.0735       7.839738  168.2521       11.57739  154.9941       10.65418  841.0457 29.26321 807.5974 28.04504 33.44830       40.53220 
1 1 1 4   26 5  o 329.9685 40.55080 26.54281       6.161743  26.54281       6.161743  0.000000       0.000000  329.9685 40.55080 ?        ?        0.000000       40.55080 
1 1 1 4   26 6  o 109.8872 45.17204 1.049183       3.751424  1.054102       5.602388  1.045184       5.050985  130.2644 54.51868 124.5465 51.91497 5.717918       75.28247 
1 1 1 4   26 7  o 315.2899 31.10800 23.92903       4.553582  35.67182       7.002927  15.32699       5.993691  383.2612 39.40446 245.8600 53.35713 137.4012       66.33019 
1 1 1 4   26 8  o 106.3685 48.38974 -2.940250      5.306232  0.000000       0.000000  -2.940250      5.306232  ?        ?        106.3685 48.38974 0.000000       48.38974 
1 1 1 4   26 9  o 327.4982 31.88991 25.86036       4.850503  30.32105       7.072761  21.89953       6.664706  351.3373 43.74244 295.8912 49.64094 55.44611       66.16361 
1 1 1 4   26 10 o 208.6623 47.54610 11.01618       4.562850  5.618312       6.310721  16.92925       6.605026  165.1737 61.17878 257.1805 56.16977 -92.00677      83.05352 
1 1 1 4   26 11 o 283.6460 52.32584 20.35077       6.724498  20.35077       6.724498  0.000000       0.000000  283.6460 52.32584 ?        ?        0.000000       52.32584 
1 1 1 4   26 12 f 160.2709 50.85567 6.271595       4.305597  5.163496       6.035704  7.419739       6.143802  159.8526 59.70723 177.3580 60.94094 -17.50537      85.31561 
1 1 1 4   26 13 o 330.4332 32.46582 26.42012       4.981215  23.71582       6.871835  29.41439       7.230874  307.3793 49.18402 344.3308 45.77668 -36.95148      67.19057 
1 1 1 4   26 14 o 448.9161 39.92377 49.22712       8.342752  0.000000       0.000000  49.22712       8.342752  ?        ?        448.9161 39.92377 0.000000       39.92377 
1 1 1 4   26 15 o 146.3165 52.33206 4.708414       4.561517  4.408442       6.464168  5.005946       6.437831  156.6676 60.98079 160.4262 61.27122 -3.758575      86.44547 
1 1 1 4   26 16 o 48.33191 20.23926 0.9225163E-01  0.7727016 -4.898930      6.310638  0.1682214      0.7785600 109.1643 50.77184 49.72062 20.52468 59.44368       54.76352 
1 1 1 4   26 17 o 348.6502 16.07341 28.76895       2.636133  28.76895       2.636133  0.000000       0.000000  348.6502 16.07341 ?        ?        0.000000       16.07341 
1 1 1 4   26 18 o 486.4691 11.49770 55.85500       2.631088  51.40806       3.817755  59.87774       3.631099  465.6530 17.42916 502.9998 15.34621 -37.34683      23.22244 
1 1 1 4   26 19 o 343.3526 13.98816 27.88563       2.259281  25.15055       3.352102  30.16226       3.058285  323.9873 22.12710 355.9161 18.32897 -31.92877      28.73256 
1 1 1 4   26 20 o 318.9162 49.97449 26.30202       7.250823  0.000000       0.000000  26.30202       7.250823  ?        ?        318.9162 49.97449 0.000000       49.97449 
1 1 1 4   26 21 o 152.2537 52.08668 5.744291       4.486910  9.988111       7.024576  2.819560       5.831558  192.8135 65.17612 138.2822 56.52111 54.53137       86.27029 
1 1 1 4   26 22 o 393.3804 42.52497 39.41736       7.743900  0.000000       0.000000  39.41736       7.743900  ?        ?        393.3804 42.52497 0.000000       42.52497 
1 1 1 4   26 23 o 127.3599 55.12080 0.8944709      6.073916  0.8944709      6.073916  0.000000       0.000000  127.3599 55.12080 ?        ?        0.000000       55.12080 
1 1 1 4   28 1  o 567.6516 10.21332 75.90707       2.727206  81.50700       3.720750  69.40561       4.009074  587.8802 13.45465 542.2183 15.71812 45.66187       20.69026 
1 1 1 4   28 2  o 171.8823 25.72094 7.167924       2.015715  4.408442       4.865142  7.739779       2.214750  146.9418 53.83699 178.4339 27.25055 -31.49207      60.34082 
1 1 1 4   28 3  o 500.6808 10.83052 59.06526       2.550819  69.15745       4.086626  52.62346       3.264944  541.1952 16.05246 472.2378 14.69757 68.95740       21.76465 
1 1 1 4   28 4  o 314.0914 41.26013 24.17955       5.948657  24.17955       5.948657  0.000000       0.000000  314.0914 41.26013 ?        ?        0.000000       41.26013 
1 1 1 4   28 6  o 227.6794 38.34671 12.79165       3.961017  15.87099       5.757154  10.02378       5.458238  250.6721 50.56834 198.6495 55.99978 52.02269       75.45285 
1 1 1 4   28 7  o 705.6121 21.32322 117.9642       7.077634  126.0999       10.32812  110.7610       9.718266  726.8749 30.20593 681.1930 30.32838 45.68195       42.80431 
1 1 1 4   28 8  o 265.6628 38.32621 17.32561       4.651021  9.583830       6.760236  24.28359       6.408892  196.7373 63.86044 313.3179 44.75574 -116.5806      77.98225 
1 1 1 4   28 9  o 518.3730 25.22364 63.89093       6.150627  64.68491       8.912175  63.16885       8.499120  517.2055 36.87270 511.5741 35.53854 5.631378       51.21116 
1 1 1 4   28 10 o 146.0712 57.71169 3.341261       5.863474  3.341261       5.863474  0.000000       0.000000  146.0712 57.71169 ?        ?        0.000000       57.71169 
1 1 1 4   28 11 o 136.0999 50.07975 3.767134       4.216227  -3.784186      5.561259  13.97444       6.465724  105.3998 48.54156 231.9730 59.08918 -126.5732      76.47101 
1 1 1 4   28 12 o 194.6427 51.25913 9.705823       4.758213  11.82521       6.462595  7.196790       7.031617  213.4208 61.20039 178.9774 64.85225 34.44334       89.17007 
1 1 1 4   28 13 o 195.5710 50.99019 9.827048       4.739219  8.778241       6.361032  11.13555       7.105059  187.8204 61.99419 207.7722 65.25623 -19.95174      90.00919 
1 1 1 4   28 14 o 303.2677 35.58479 22.51803       4.979961  19.21225       6.477033  27.29786       7.788349  273.7422 52.20494 327.4966 52.31634 -53.75433      73.90775 
1 1 1 4   28 15 o 91.93991 42.17889 -2.635450      4.143813  -2.018133      5.446458  -3.483948      6.385367  110.8985 49.87347 114.9332 52.59149 -4.034706      72.47916 
1 1 1 4   28 16 o 380.4502 43.59663 36.11772       7.661428  36.11772       7.661428  0.000000       0.000000  380.4502 43.59663 ?        ?        0.000000       43.59663 
1 1 1 4   28 17 o 343.9140 32.35715 28.87687       5.173126  17.93104       6.792393  43.99525       7.982719  260.0543 57.09002 420.9157 40.83039 -160.8614      70.18825 
1 1 1 4   28 18 o 170.2707 50.46009 7.531214       4.329848  4.420333       6.123330  10.64209       6.123330  151.6096 59.25728 199.2901 60.22413 -47.68051      84.48888 
1 1 1 4   28 19 o 271.5703 39.23356 18.58277       4.866662  26.42985       7.898814  13.78121       6.178728  315.6417 55.20897 225.1010 57.99331 90.54074       80.07030 
1 1 1 4   28 20 o 127.4391 47.61971 3.446876       3.840027  4.824614       5.152946  1.726219       5.758631  147.0070 55.11742 130.6828 55.01533 16.32425       77.87565 
1 1 1 4   28 21 o 116.2248 47.21265 1.959988       4.037341  1.046968       5.868166  2.780618       5.563346  126.9448 54.55744 134.4820 55.11424 -7.537193      77.55059 
1 1 1 4   30 0  o 349.0559 13.31079 28.74084       2.185588  31.48137       2.580081  21.77765       4.112635  365.1732 15.01983 300.7647 29.44631 64.40848       33.05572 
1 1 1 4   30 1  o 447.6475 10.61860 47.21938       2.236005  56.45354       3.093428  37.11598       3.235749  489.1908 13.44288 396.2617 17.35895 92.92917       21.95551 
1 1 1 4   30 2  o 677.4449 10.72028 108.1472       3.416248  124.7180       5.151431  95.13850       4.564288  726.8218 15.06713 634.7719 15.28572 92.04993       21.46327 
1 1 1 4   30 3  o 145.7845 23.20172 5.165356       1.537788  7.535673       5.224234  4.940494       1.609078  175.3380 56.05947 142.1663 24.97206 33.17174       61.36992 
1 1 1 4   30 4  o 436.4479 34.67204 45.98692       7.059730  45.98692       7.059730  0.000000       0.000000  436.4479 34.67204 ?        ?        0.000000       34.67204 
1 1 1 4   30 5  o 507.3569 23.25067 61.11119       5.549047  52.70512       7.945743  69.11416       7.752885  466.6934 36.48396 536.8293 30.83074 -70.13593      47.76624 
1 1 1 4   30 6  f 655.2291 21.81761 101.8327       6.724650  101.1891       9.661205  102.4376       9.365853  650.1696 31.58896 654.5844 30.41672 -4.414734      43.85247 
1 1 1 4   30 7  o 428.4184 35.84463 44.47087       7.157352  0.000000       0.000000  44.47087       7.157352  ?        ?        428.4184 35.84463 0.000000       35.84463 
1 1 1 4   30 8  o 251.4567 36.61743 15.54230       4.204146  12.07194       5.714325  19.63734       6.207348  216.2327 55.80323 279.0565 49.07910 -62.82379      74.31527 
1 1 1 4   30 9  o 218.1977 41.03030 11.91377       4.056790  15.19917       5.892662  8.953628       5.593366  243.2968 52.98872 187.9587 57.71515 55.33809       78.35077 
1 1 1 4   30 10 o 362.3653 28.89090 31.60822       4.883739  31.42093       7.086395  31.77765       6.739925  356.3795 43.15042 359.4266 40.57365 -3.047119      59.22989 
1 1 1 4   30 11 o 321.1162 30.38986 24.95079       4.535903  35.87991       7.049572  17.22949       5.925371  382.1367 39.80108 259.7118 50.31874 122.4249       64.15686 
1 1 1 4   30 12 o 235.6040 39.72054 13.86366       4.245604  19.08442       6.511558  10.00297       5.599509  272.2465 52.75064 196.2807 57.16618 75.96581       77.78562 
1 1 1 4   30 13 o 158.9246 57.93380 5.621284       5.623566  0.000000       0.000000  5.621284       5.623566  ?        ?        158.9246 57.93380 0.000000       57.93380 
1 1 1 4   30 14 o 363.8131 29.00146 32.02290       4.922032  33.88823       7.032627  30.23187       6.891140  369.2766 41.18690 347.7141 43.05105 21.56253       59.57980 
1 1 1 4   30 15 o 241.6192 38.53925 14.62961       4.233130  16.42093       6.174602  13.04102       5.814695  249.7226 54.12537 221.5219 55.82276 28.20070       77.75433 
1 1 1 4   30 16 o 126.2977 46.88699 3.319788       3.710864  -2.240191      5.137572  9.384662       5.365772  105.3452 47.80459 188.2335 56.26211 -82.88832      73.82888 
1 1 1 4   30 17 o 236.2288 37.65850 14.05767       4.044195  17.97563       5.719356  10.13972       5.719356  262.8810 48.02026 194.0115 58.10829 68.86942       75.38248 
1 1 1 4   32 0  o 196.6193 29.05195 9.432612       2.606094  11.60523       3.865337  7.621880       3.528763  215.7127 39.55026 173.5083 43.35710 42.20445       58.68613 
1 1 1 4   32 1  o 133.1506 47.49113 3.834721       3.754153  0.000000       0.000000  3.834721       3.754153  ?        ?        133.1506 47.49113 0.000000       47.49113 
1 1 1 4   32 2  o 489.8985 18.55824 56.83533       4.276732  50.50536       5.999099  63.37693       6.098553  459.0377 27.91486 515.8615 25.13185 -56.82385      37.56128 
1 1 1 4   32 3  o 519.8625 19.37055 64.04498       4.736960  63.13913       6.752516  64.92271       6.646879  513.3322 28.07026 520.8337 27.22453 -7.501465      39.10389 
1 1 1 4   32 4  o 256.3140 30.77075 15.96260       3.635897  15.47563       5.221641  16.42093       5.065771  247.4958 46.55960 256.1242 43.60870 -8.628372      63.79275 
1 1 1 4   32 5  o 347.8579 25.57293 28.99934       4.155240  31.56956       6.236169  26.94709       5.572475  359.3538 37.44131 332.1336 36.25587 27.22018       52.11852 
1 1 1 4   32 6  o 226.2619 37.65825 12.70827       3.867239  12.03924       5.660981  13.29370       5.295499  215.2100 55.54354 227.4400 50.78075 -12.22995      75.25803 
1 1 1 4   32 7  o 364.6913 26.27667 31.92011       4.477600  32.49109       6.665830  31.45066       6.044265  363.4348 39.63297 358.7612 36.31556 4.673615       53.75493 
1 1 1 4   32 8  o 175.7598 44.57154 7.884023       3.690445  16.94709       5.798109  1.711950       4.784806  257.4065 49.68437 124.6112 51.09581 132.7953       71.26934 
1 1 1 4   32 9  o 332.7819 40.29395 27.41677       6.179123  27.41677       6.179123  0.000000       0.000000  332.7819 40.29395 ?        ?        0.000000       40.29395 
1 1 1 4   32 10 o 322.1797 28.03720 25.08099       4.206789  20.75208       6.021143  29.20928       5.879963  286.2431 46.29790 344.7156 36.83149 -58.47247      59.16125 
1 1 1 4   32 11 o 119.6941 44.53534 2.867572       3.351666  1.719382       4.745831  4.010108       4.734132  123.6507 50.81609 140.3964 52.79261 -16.74576      73.27574 
1 1 1 4   32 12 o 308.4981 40.79092 23.79905       5.774328  0.000000       0.000000  23.79905       5.774328  ?        ?        308.4981 40.79092 0.000000       40.79092 
1 1 1 4   32 13 o 152.7110 45.35579 5.951465       3.495322  9.649228       5.032901  2.506243       4.858000  191.0906 53.74020 129.4234 52.06354 61.66725       74.82394 
1 1 1 5   1  0  o 369.8010 8.746731 32.17394       1.521539  31.03448       2.651645  32.73328       1.857827  363.0780 15.52552 372.9760 10.58900 -9.897980      18.79279 
1 1 1 5   1  1  o 1619.757 15.70702 617.6647       11.96776  611.2927       16.72166  624.3564       17.13588  1610.634 22.07057 1627.710 22.38000 -17.07593      31.43206 
1 1 1 5   1  2  o 485.2549 9.798159 55.40383       2.236577  56.68847       3.829966  54.73904       2.755162  490.6790 16.59312 482.2870 12.14429 8.391998       20.56248 
1 1 1 5   1  3  f 1154.368 14.36156 313.6700       7.798578  313.4053       9.521702  314.2093       13.59234  1153.656 17.54563 1154.428 25.02985 -0.7717285     30.56702 
1 1 1 5   1  4  o 491.0228 9.701949 56.72824       2.240939  55.79166       3.126269  57.71806       3.213878  486.8665 13.65045 495.1967 13.79693 -8.330200      19.40851 
1 1 1 5   1  5  o 660.3953 10.30119 102.6178       3.200077  103.9436       4.571343  101.3438       4.481188  664.5113 14.62420 656.1522 14.51842 8.359131       20.60708 
1 1 1 5   1  6  o 624.4473 10.75464 91.75310       3.159084  93.96995       4.480022  89.56063       4.455319  631.8129 15.07379 616.8017 15.35550 15.01123       21.51768 
1 1 1 5   1  7  o 167.9090 26.02147 6.804364       1.988798  3.706897       3.317566  8.541931       2.484775  130.7684 44.78786 188.0921 29.01664 -57.32378      53.36589 
1 1 1 5   1  8  o 568.2511 11.65279 75.99093       3.114866  75.82665       4.377979  76.15934       4.432703  567.4815 16.40033 568.7186 16.56921 -1.237061      23.31330 
1 1 1 5   1  9  o 1867.901 18.87876 822.0005       16.58810  828.9069       23.68913  815.3561       23.23566  1874.129 26.87078 1858.815 26.57355 15.31311       37.79143 
1 1 1 5   1  10 f 377.7093 16.94593 33.61132       3.010872  36.83116       5.286150  32.06513       3.663139  393.7331 28.73946 368.1339 21.24356 25.59918       35.73857 
1 1 1 5   1  11 o 1122.006 16.44129 296.7430       8.677611  298.5553       10.66485  293.1927       14.92706  1124.808 20.15611 1112.833 28.51511 11.97571       34.91963 
1 1 1 5   1  12 o 1122.688 14.50746 297.0390       7.661604  313.6273       11.33117  283.0677       10.39903  1152.391 20.90286 1094.958 20.18953 57.43286       29.06108 
1 1 1 5   1  13 o 890.9048 14.16877 186.9846       5.937898  186.3357       8.318573  187.6588       8.478625  888.6578 19.89963 891.7622 20.21190 -3.104370      28.36399 
1 1 1 5   1  14 o 1452.027 19.37254 496.9698       13.23215  489.2985       22.63611  500.9519       16.30879  1437.689 33.47092 1457.030 23.79490 -19.34106      41.06702 
1 1 1 5   1  15 o 1861.528 19.72812 816.4737       17.27526  808.9940       24.21583  824.2252       24.65182  1851.378 27.80578 1868.668 28.04448 -17.29077      39.49246 
1 1 1 5   1  16 o 650.6464 15.40699 99.66835       4.715547  102.7505       6.746271  96.72385       6.593920  660.3091 21.71937 640.6426 21.88056 19.66650       30.83002 
1 1 1 5   1  17 o 1653.393 21.47971 644.2425       16.70606  666.7658       29.64973  633.7659       20.22153  1678.646 37.54848 1639.101 26.22642 39.54480       45.80080 
1 1 1 5   1  18 o 695.0565 16.45697 113.7732       5.380706  110.2105       7.445020  117.6691       7.785316  683.6558 23.15043 706.3890 23.42950 -22.73315      32.93757 
1 1 1 5   1  19 o 447.8926 28.58609 47.58172       5.991373  43.48989       8.447165  51.72414       8.499238  425.8342 42.74668 465.4129 39.18611 -39.57877      57.98991 
1 1 1 5   1  20 o 507.8444 21.99471 60.84325       5.254340  68.89517       6.634443  47.29489       8.605938  540.0707 26.11467 444.1265 41.68048 95.94427       49.18576 
1 1 1 5   1  21 o 362.8817 23.76247 31.23301       4.033862  40.02747       5.863147  23.32867       5.558520  409.9934 30.62179 310.8704 38.86002 99.12302       49.47520 
1 1 1 5   1  22 o 677.2585 17.79705 108.1909       5.669854  115.3929       8.223052  101.6638       7.828275  698.4624 25.02769 655.5433 25.38607 42.91913       35.64881 
1 1 1 5   1  23 f 263.0681 37.34504 16.84948       4.491625  19.31629       7.916870  15.67854       5.454459  275.3734 62.54240 250.9912 47.94644 24.38219       78.80618 
1 1 1 5   1  24 o 423.8031 23.60063 42.72029       4.686307  50.03566       6.696129  35.69759       6.560821  456.9022 31.34478 384.1208 36.75840 72.78137       48.30813 
1 1 1 5   1  25 o 497.6556 24.51596 58.90522       5.739144  49.67301       9.486453  64.23495       7.207822  448.8919 45.55665 517.5205 29.73276 -68.62863      54.40079 
1 1 1 5   1  26 o 289.5262 34.20131 20.50723       4.568047  29.24661       5.983179  8.293698       7.073145  345.2222 37.44404 185.5125 65.29154 159.7097       75.26647 
1 1 1 5   1  27 o 103.8332 43.81271 0.5767912      3.665755  5.219955       5.412995  -3.356555      4.982091  153.7796 56.71962 99.04391 45.73156 54.73568       72.85939 
1 1 1 5   1  28 o 144.5102 47.25812 5.210515       3.699562  5.356706       5.405410  5.081690       5.074222  153.3290 56.65467 149.4784 54.94903 3.850632       78.92495 
1 1 1 5   1  29 o 100.1708 44.13530 -0.5254682     4.046578  -11.85494      7.644088  3.885604       4.769722  100.7836 49.19636 137.0535 52.64491 -36.26994      72.05392 
1 1 1 5   1  30 o 311.8624 27.71776 23.85237       4.023832  21.56134       5.768092  26.02422       5.616069  287.7514 44.01236 320.3217 38.01341 -32.57034      58.15588 
1 1 1 5   1  31 o 175.4669 45.09368 8.289422       3.742227  10.40115       5.326980  6.231788       5.258304  191.9974 55.71145 155.5500 56.12476 36.44739       79.08068 
1 1 1 5   1  32 o 249.8047 37.00732 16.12480       4.217128  24.50654       7.363945  12.03458       5.144193  294.5006 55.18406 205.9496 52.83904 88.55109       76.40186 
1 1 1 5   1  33 o 187.4410 42.09150 9.569660       3.620502  10.62760       5.130952  8.520576       5.109442  189.9034 54.55372 170.5289 55.52658 19.37459       77.84157 
1 1 1 5   1  34 f 146.9285 48.49912 6.169581       3.893065  1.056481       6.400513  9.171987       4.904642  123.1401 54.81503 173.7532 54.16024 -50.61303      77.05855 
1 1 1 5   1  35 o 155.4972 51.11124 7.437283       4.325391  4.646255       6.105384  10.24970       6.128736  135.9404 56.90553 173.3761 60.79214 -37.43570      83.27019 
1 1 1 5   1  36 o 204.8719 48.46788 13.04780       4.597947  11.27527       6.485086  14.83948       6.520011  172.3758 62.30841 199.5817 62.48388 -27.20595      88.24157 
1 1 1 5   3  0  o 806.3386 9.625421 152.9780       3.650955  150.8981       5.194796  155.0082       5.132233  800.6879 13.79228 811.5340 13.44406 -10.84607      19.26057 
1 1 1 5   3  1  o 336.3821 9.147639 26.62222       1.447475  27.14626       2.334548  26.29496       1.844898  339.5921 14.61423 334.2736 11.73278 5.318512       18.74124 
1 1 1 5   3  2  o 679.9487 9.225939 108.7759       2.950910  106.3776       4.099113  111.3558       4.251492  672.3050 12.96147 687.8499 13.13948 -15.54492      18.45659 
1 1 1 5   3  3  o 993.6177 11.33323 232.3218       5.297152  239.8676       7.687362  225.4995       7.309521  1009.369 16.19042 978.6901 15.87722 30.67889       22.67633 
1 1 1 5   3  4  f 1801.995 20.44258 764.9477       17.32840  767.6785       21.24013  759.5126       29.96502  1804.500 25.02252 1792.727 35.53294 11.77258       43.45936 
1 1 1 5   3  5  o 767.5191 10.73339 138.6134       3.875210  139.7143       5.550699  137.5665       5.412658  770.3888 15.31681 764.4559 15.05181 5.932861       21.47468 
1 1 1 5   3  6  o 371.9695 11.89749 32.56011       2.081766  33.54337       2.981633  31.62489       2.907877  377.4441 16.79315 366.4897 16.86728 10.95444       23.80157 
1 1 1 5   3  7  o 359.3774 12.87205 30.39655       2.176045  32.44464       3.128823  28.47780       3.028418  371.1739 17.91985 347.2303 18.60852 23.94357       25.83405 
1 1 1 5   3  8  o 1126.057 15.61537 298.5512       8.271460  314.2093       15.25931  292.0360       9.842993  1153.846 28.11368 1113.440 18.79278 40.40649       33.81638 
1 1 1 5   3  9  o 799.0242 12.29139 150.2768       4.619875  150.7242       6.595869  149.8460       6.472848  799.8959 17.52949 797.5815 17.25246 2.314331       24.59533 
1 1 1 5   3  10 o 576.0551 12.71598 78.13425       3.445744  82.02587       5.034675  74.70521       4.725996  589.8932 18.14382 562.9751 17.84575 26.91815       25.44934 
1 1 1 5   3  11 o 1356.973 15.57502 434.0217       9.941894  441.1615       14.29531  427.3335       13.83587  1366.571 22.23780 1345.080 21.86699 21.49109       31.18790 
1 1 1 5   3  12 o 363.5314 19.85486 31.28613       3.382452  37.82461       4.320027  20.92747       5.437506  399.3987 23.09231 293.4874 40.46175 105.9113       46.58764 
1 1 1 5   3  13 o 1170.485 17.54748 322.9519       9.661614  350.7729       17.87139  311.4628       11.48459  1216.932 31.21927 1148.880 21.25063 68.05200       37.76548 
1 1 1 5   3  14 o 351.9770 18.68128 29.27279       3.081999  25.30171       4.340961  33.30909       4.376465  326.0652 28.59035 374.8999 24.95905 -48.83472      37.95211 
1 1 1 5   3  15 o 947.2021 16.97120 211.2821       7.561788  210.1962       13.51311  211.7771       9.124105  943.4699 30.44795 948.0450 20.45936 -4.575134      36.68328 
1 1 1 5   3  16 o 1669.473 21.32219 656.7625       16.74481  673.0084       29.59366  649.1118       20.30842  1686.759 37.29721 1658.963 26.02376 27.79590       45.47876 
1 1 1 5   3  17 o 857.5184 15.29081 173.1280       6.167983  174.4419       8.759299  171.8356       8.686842  860.3283 21.64392 853.8784 21.62702 6.449951       30.59717 
1 1 1 5   3  18 o 437.5692 22.81173 45.26897       4.679160  48.31718       5.695830  38.94174       8.206179  451.6522 26.93164 402.6781 44.04050 48.97415       51.62246 
1 1 1 5   3  19 o 546.5967 20.29194 70.43044       5.217470  68.43973       6.468275  74.13794       8.827250  538.4600 25.53676 558.6800 33.74709 -20.22003      42.32011 
1 1 1 5   3  20 o 363.2517 23.05530 31.26507       3.919147  29.50503       5.546152  33.02049       5.538876  351.2816 33.98838 372.1306 31.95137 -20.84909      46.64869 
1 1 1 5   3  21 o 537.9732 22.04498 68.32279       5.578786  58.17480       9.835805  73.13586       6.773777  492.1011 42.91958 556.2109 25.88940 -64.10974      50.12336 
1 1 1 5   3  22 o 177.5137 42.72972 7.834381       3.525090  9.386831       5.146214  6.462054       4.838467  194.2467 54.24126 165.9564 54.03395 28.29033       76.56227 
1 1 1 5   3  23 o 1204.534 17.75572 342.5403       10.06067  370.2460       15.08468  320.3422       13.50233  1249.749 25.65925 1162.816 24.68474 86.93262       35.60525 
1 1 1 5   3  24 o 171.1800 45.46671 7.359871       3.722976  11.09235       5.263906  3.624053       5.266262  208.7550 53.39182 143.8310 55.30092 64.92407       76.86922 
1 1 1 5   3  25 o 198.5121 46.65856 10.01914       4.283409  8.395839       5.121841  13.79608       7.812613  182.3130 55.07627 229.3878 67.73023 -47.07489      87.29708 
1 1 1 5   3  26 o 540.2677 19.95802 69.30520       5.072194  66.25025       6.974017  72.73584       7.390411  524.9997 28.34438 550.0324 28.66267 -25.03271      40.31070 
1 1 1 5   3  27 o 367.1345 29.36630 32.69298       5.029139  31.36148       8.714781  33.35780       6.157979  346.8212 55.27254 368.1136 36.02376 -21.29236      65.97549 
1 1 1 5   3  28 o 267.8066 36.18172 17.91812       4.441368  25.01487       7.771554  14.47617       5.412283  306.1649 56.02604 233.9513 50.64800 72.21365       75.52573 
1 1 1 5   3  29 f 108.0125 44.06399 1.510477       3.535755  2.134204       5.108498  0.9369236      4.898721  127.2243 52.55101 117.9634 50.24844 9.260910       72.70842 
1 1 1 5   3  30 o 246.7854 41.34781 15.77354       4.630202  20.61457       5.640080  5.766944       8.108853  281.1680 44.09335 165.2328 66.98405 115.9352       80.19405 
1 1 1 5   3  31 o 105.5814 47.13402 -0.8050633     4.769106  -4.592747      7.052475  2.386445       6.473702  112.7109 52.82968 136.7106 57.98327 -23.99977      78.44128 
1 1 1 5   3  32 o 206.3388 39.77804 11.24237       3.720973  18.84005       5.224870  3.423307       5.300444  266.1536 43.21471 133.4262 54.13300 132.7274       69.26682 
1 1 1 5   3  33 o 140.8990 46.08641 5.404512       3.518318  12.86487       5.283177  -0.5406412     4.716252  209.8876 53.38558 104.1322 46.65160 105.7554       70.89705 
1 1 1 5   3  34 o 93.43469 41.47029 -0.1759425     3.637223  4.405470       6.388614  -2.373127      4.424255  139.4369 58.27615 91.24152 42.46118 48.19537       72.10452 
1 1 1 5   3  35 o 198.1412 41.01693 11.07073       3.697097  7.018432       6.270133  13.23048       4.577490  150.0945 59.55940 211.5292 47.20114 -61.43472      75.99519 
1 1 1 5   3  36 o 111.1690 51.10159 0.2951546      6.123738  0.2951546      6.123738  0.000000       0.000000  111.1690 51.10159 ?        ?        0.000000       51.10159 
1 1 1 5   5  0  o 722.5171 17.26848 122.9192       5.869101  122.9192       5.869101  0.000000       0.000000  722.5171 17.26848 ?        ?        0.000000       17.26848 
1 1 1 5   5  1  f 1277.600 15.23027 384.2410       9.153174  394.1736       16.60644  379.9067       10.96997  1292.773 27.30768 1270.125 18.36071 22.64807       32.90631 
1 1 1 5   5  2  f 699.5138 9.366155 115.1260       3.081959  116.7142       4.359310  113.5388       4.357788  704.2108 13.15969 694.5591 13.33790 9.651611       18.73706 
1 1 1 5   5  3  o 520.6992 9.186049 63.78933       2.250013  59.94517       3.046258  68.40415       3.337667  504.6913 12.83133 539.1171 13.16105 -34.42584      18.38087 
1 1 1 5   5  4  o 589.5300 9.825228 81.77227       2.724695  85.29401       3.915609  78.46610       3.793875  601.9858 13.82750 577.3842 13.96847 24.60168       19.65497 
1 1 1 5   5  5  o 1585.224 22.71105 592.1956       16.93546  592.1956       16.93546  0.000000       0.000000  1585.224 22.71105 ?        ?        0.000000       22.71105 
1 1 1 5   5  6  o 1473.169 17.96297 511.0927       12.44802  516.3353       15.31634  500.8919       21.36472  1480.234 21.99659 1456.523 31.18247 23.71106       38.16014 
1 1 1 5   5  7  o 969.1487 12.39539 221.0601       5.650930  238.9354       8.530457  207.0818       7.543490  1007.197 18.00480 937.7245 17.10124 69.47284       24.83195 
1 1 1 5   5  8  o 476.4544 12.07172 53.43202       2.705575  57.94234       3.964139  49.49884       3.701837  495.9774 16.99095 458.4107 17.16695 37.56665       24.15361 
1 1 1 5   5  9  o 424.7642 15.18390 42.49979       3.033894  47.47325       5.402293  40.20861       3.666723  447.5670 25.76852 412.9872 18.87436 34.57977       31.94148 
1 1 1 5   5  10 o 366.3462 15.24706 31.62798       2.627527  31.05852       3.734249  32.18637       3.697787  361.9867 22.03502 368.6004 21.41871 -6.613678      30.72952 
1 1 1 5   5  11 o 439.5214 14.62784 45.52376       3.024332  47.80629       4.385341  43.45355       4.176408  449.9688 20.71818 428.9971 20.69566 20.97174       29.28401 
1 1 1 5   5  12 o 490.6220 16.35626 56.73053       3.774857  54.65022       4.684537  60.58265       6.374602  481.2489 20.69320 505.4250 26.90878 -24.17618      33.94541 
1 1 1 5   5  13 o 1059.463 14.35667 264.3075       7.154986  266.9214       10.26441  261.8369       9.978978  1064.055 20.50695 1053.917 20.12846 10.13794       28.73482 
1 1 1 5   5  14 o 327.4989 19.82701 25.36261       3.040080  22.30812       4.248655  28.56727       4.351846  305.9264 29.90579 346.9252 26.87638 -40.99884      40.20816 
1 1 1 5   5  15 o 842.2324 14.48720 166.9822       5.739654  163.2344       8.023089  170.9111       8.214488  832.3752 20.49053 851.7222 20.50280 -19.34698      28.98666 
1 1 1 5   5  16 o 1681.557 18.69074 666.0129       14.78452  673.9413       21.21324  658.5242       20.61648  1690.285 26.67950 1670.921 26.22945 19.36414       37.41364 
1 1 1 5   5  17 o 732.9253 15.42722 126.4804       5.318837  130.1871       7.686484  123.0749       7.367589  743.1782 21.98697 722.6149 21.67450 20.56323       30.87412 
1 1 1 5   5  18 o 1369.196 17.25604 441.5941       11.11415  447.3643       15.90808  436.0919       15.53415  1377.053 24.55827 1359.638 24.28817 17.41479       34.54018 
1 1 1 5   5  19 o 819.8698 18.97413 158.4278       7.317725  158.0527       8.839216  159.2450       13.04594  818.5048 22.95743 820.1317 33.81603 -1.626831      40.87257 
1 1 1 5   5  20 o 563.8170 17.83362 74.92835       4.729846  80.89960       6.844984  69.47195       6.543241  585.2616 24.86297 542.2800 25.65074 42.98157       35.72293 
1 1 1 5   5  21 o 427.4321 20.67204 43.11951       4.156423  49.78344       6.098834  37.34012       5.679665  457.7021 28.46763 395.7656 30.74953 61.93649       41.90393 
1 1 1 5   5  22 o 667.1343 20.70189 105.1320       6.496695  118.9061       12.68489  100.2342       7.564060  704.8078 38.40500 650.8162 24.70741 53.99164       45.66618 
1 1 1 5   5  23 o 362.5995 24.07860 31.28865       4.083675  25.05074       5.697015  37.88110       5.856672  321.1492 38.47738 397.5720 31.57597 -76.42276      49.77500 
1 1 1 5   5  24 o 506.5222 20.25647 60.74852       4.826491  68.65086       6.973773  53.48349       6.686654  536.2110 27.74291 472.4197 30.24811 63.79126       41.04409 
1 1 1 5   5  25 o 487.5609 24.69536 56.74397       5.645396  57.58141       6.793532  54.87516       10.14850  489.5858 29.63799 470.8342 46.42525 18.75165       55.07917 
1 1 1 5   5  26 o 187.1399 42.57884 8.925550       3.663846  8.701177       5.243500  9.139612       5.121574  183.7561 55.77462 187.7523 54.66919 -3.996201      78.09948 
1 1 1 5   5  27 o 417.1941 22.92814 41.71336       4.482362  46.24491       6.493496  37.58878       6.195062  435.6347 31.90944 391.6125 33.96585 44.02216       46.60355 
1 1 1 5   5  28 o 165.3309 49.29648 7.155602       4.123092  4.812723       7.480694  8.177876       4.941405  160.4697 64.58749 175.7569 54.29372 -15.28728      84.37624 
1 1 1 5   5  29 o 110.0154 44.83827 1.614013       3.656708  6.322431       5.264421  -2.775609      5.083077  158.6673 56.27592 101.1471 46.51797 57.52018       73.01302 
1 1 1 5   5  30 o 221.5464 40.85738 12.75183       4.101113  9.735275       4.962076  19.25387       7.285051  187.9569 53.53716 260.5084 60.59215 -72.55153      80.85564 
1 1 1 5   5  31 o 408.1959 28.51015 41.05164       5.440030  41.32546       6.364568  40.30916       10.48051  406.0176 33.62647 375.9545 61.38063 30.06317       69.98801 
1 1 1 5   5  32 o 166.8279 44.42789 7.598641       3.548752  7.512750       5.110938  7.678601       4.931269  163.7260 55.59288 165.1820 54.58715 -1.456024      77.91229 
1 1 1 5   5  33 o 332.0721 29.93920 27.79946       4.626434  19.35196       7.640591  32.68953       5.813273  246.8154 64.93401 355.8866 35.18566 -109.0713      73.85429 
1 1 1 5   5  34 o 157.8334 46.70231 7.211368       3.711097  8.415577       6.075130  6.494502       4.687308  163.9575 60.14690 149.1514 53.08027 14.80608       80.21948 
1 1 1 5   5  35 o 129.0655 48.14060 4.656906       3.921028  5.624257       5.370173  3.552319       5.738472  139.2729 55.16563 127.6435 54.37875 11.62937       77.46157 
1 1 1 5   5  36 o 131.1989 55.24072 4.970274       5.807290  4.970274       5.807290  0.000000       0.000000  131.1989 55.24072 ?        ?        0.000000       55.24072 
1 1 1 5   7  0  o 1873.828 20.76113 827.1712       18.29996  813.3176       31.65365  834.1262       22.42796  1855.020 36.27486 1880.949 25.34797 -25.92908      44.25365 
1 1 1 5   7  1  o 1417.582 14.24724 473.0037       9.500539  460.1549       13.15078  487.0300       13.74018  1397.683 20.00200 1437.885 20.31415 -40.20251      28.50868 
1 1 1 5   7  2  f 685.6459 9.480393 110.6079       3.057704  108.0559       6.636796  111.2955       3.445124  677.2515 20.83239 687.7435 10.64901 -10.49200      23.39636 
1 1 1 5   7  3  f 210.2943 12.36961 10.44364       1.218249  10.16676       1.620172  10.80384       1.847938  207.1184 16.77330 213.3736 18.59693 -6.255203      25.04375 
1 1 1 5   7  4  o 776.5383 11.63154 141.9064       4.248831  137.5307       5.161868  151.0999       7.482060  764.3629 14.35615 800.8792 19.86026 -36.51624      24.50569 
1 1 1 5   7  5  o 237.2751 14.38912 13.30223       1.598449  12.82093       2.178619  13.86340       2.352475  232.4040 20.12693 241.6543 20.90055 -9.250305      29.01597 
1 1 1 5   7  6  o 361.0165 14.44048 30.68536       2.452324  30.31284       2.860582  31.71819       4.763201  358.7502 16.95091 365.4837 27.91636 -6.733551      32.65971 
1 1 1 5   7  7  o 315.6953 13.62045 23.46618       2.022688  24.67235       2.873346  22.28133       2.847849  322.9872 18.99544 306.8011 19.83912 16.18607       27.46666 
1 1 1 5   7  8  o 485.0999 13.34333 55.41984       3.044841  60.64209       5.037045  52.41279       3.822233  506.9464 21.12246 471.5517 17.23132 35.39474       27.25943 
1 1 1 5   7  9  o 295.7350 16.36469 20.68074       2.267709  24.12382       3.313599  17.64755       3.110112  318.8149 22.23410 272.1205 24.56133 46.69443       33.13026 
1 1 1 5   7  10 o 509.4351 13.35015 61.13291       3.199222  61.23599       4.525371  61.02993       4.523396  509.4786 18.88248 508.6187 18.90614 0.8598328      26.72059 
1 1 1 5   7  11 o 720.7583 14.73379 122.3718       4.995435  125.6026       6.342481  117.0928       8.107270  729.8930 18.47271 704.0966 24.47784 25.79645       30.66604 
1 1 1 5   7  12 o 1243.945 15.10577 364.3864       8.839207  363.0852       12.45363  365.7073       12.54795  1240.983 21.33344 1245.444 21.41802 -4.461182      30.22991 
1 1 1 5   7  13 f 337.2876 22.67900 26.93625       3.577356  28.21878       4.207591  23.59097       6.795425  344.8956 26.12844 311.6819 47.87992 33.21368       54.54523 
1 1 1 5   7  14 o 893.2281 14.31420 187.8071       6.014488  186.4026       8.416236  189.2730       8.598223  889.5349 20.11341 896.3378 20.39237 -6.802979      28.64259 
1 1 1 5   7  15 o 722.1494 16.40753 122.7870       5.573649  123.7515       9.253206  122.2378       6.982478  724.3149 27.15786 720.3129 20.60720 4.002014       34.09114 
1 1 1 5   7  16 o 280.2082 29.85209 18.74523       3.874235  17.99346       7.573359  19.01170       4.508872  269.2305 61.18754 281.4781 34.79372 -12.24762      70.38834 
1 1 1 5   7  17 o 1222.573 16.36028 351.9989       9.408810  364.2071       13.70302  341.1095       12.94173  1242.761 23.44008 1202.783 22.87365 39.97791       32.75120 
1 1 1 5   7  18 o 935.5073 15.87660 206.1215       6.986731  211.1875       9.974591  201.2417       9.789469  946.2975 22.40774 923.7324 22.52909 22.56512       31.77525 
1 1 1 5   7  19 o 1048.384 16.32565 258.9394       8.051191  262.7822       11.55337  255.3114       11.22589  1055.234 23.27505 1040.176 22.94273 15.05859       32.68175 
1 1 1 5   7  20 o 904.2773 16.47282 192.7113       7.007111  207.8571       10.37519  180.0090       9.501462  938.1736 23.50949 873.1235 23.13372 65.05011       32.98280 
1 1 1 5   7  21 o 133.1048 47.38191 3.683552       3.735161  10.11891       6.207654  0.3141943E-01  4.676431  202.6211 60.50435 114.8650 49.01590 87.75606       77.86742 
1 1 1 5   7  22 o 288.8413 27.32602 19.96052       3.668709  22.99081       5.530943  17.57981       4.902410  307.6614 39.10017 268.1779 40.09179 39.48355       56.00156 
1 1 1 5   7  23 o 356.0902 23.94217 30.20047       3.987141  24.80062       5.522638  36.07924       5.762335  319.4805 37.45890 387.5953 31.88748 -68.11475      49.19329 
1 1 1 5   7  24 o 297.4380 31.77571 21.41012       4.377113  19.14043       5.507171  25.30321       7.212626  277.5841 43.61406 317.6806 49.91073 -40.09650      66.28173 
1 1 1 5   7  25 o 165.5765 45.30643 6.959783       3.631248  8.863919       5.126407  5.042285       5.144360  185.9542 54.85273 152.3946 55.43223 33.55956       77.98432 
1 1 1 5   7  26 o 459.7771 21.19505 50.32093       4.584069  55.88107       6.662897  45.32365       6.316658  480.9545 29.59394 432.2906 31.27407 48.66391       43.05658 
1 1 1 5   7  27 o 345.3289 28.43702 28.96063       4.578341  30.97503       7.930835  27.95378       5.606977  346.3916 50.12998 336.0788 36.02825 10.31287       61.73370 
1 1 1 5   7  28 o 504.1011 20.28835 60.70188       4.810981  58.82587       6.851009  62.52700       6.757464  491.0960 29.79733 507.1562 28.43991 -16.06018      41.19113 
1 1 1 5   7  29 o 172.5812 55.29076 7.993291       5.079966  7.993291       5.079966  0.000000       0.000000  172.5812 55.29076 ?        ?        0.000000       55.29076 
1 1 1 5   7  30 o 170.6667 45.53891 7.793092       3.723785  6.129350       5.097373  9.697119       5.453056  155.1965 55.34045 186.4839 56.93974 -31.28741      79.40214 
1 1 1 5   7  31 o 237.8277 35.18264 14.43742       3.817263  10.58091       5.039679  19.62778       5.846602  193.8900 53.50721 269.8918 47.80118 -76.00183      71.74938 
1 1 1 5   7  32 o 125.8602 48.18939 3.559599       3.988477  0.1657551      6.754798  5.376231       4.941967  125.7030 56.10734 145.1398 54.06357 -19.43681      77.91600 
1 1 1 5   7  33 f 124.2498 46.20914 3.788728       3.607518  3.201546       5.880368  4.143091       4.568177  132.4102 55.66029 131.7748 51.27129 0.6353607      75.67571 
1 1 1 5   7  34 o 87.62132 40.76907 -2.197552      4.075713  0.000000       0.000000  -2.197552      4.075713  ?        ?        87.62132 40.76907 0.000000       40.76907 
1 1 1 5   7  35 f 349.8172 30.48810 31.88598       4.966807  31.24257       7.228776  32.46136       6.835928  323.2160 49.08838 335.8785 44.35063 -12.66257      66.15623 
1 1 1 5   9  0  o 971.5997 10.72942 222.1500       4.903804  234.3097       7.276906  212.0343       6.637208  997.5459 15.50760 948.9872 14.86811 48.55865       21.48363 
1 1 1 5   9  1  o 371.8598 8.248593 32.53398       1.442874  32.80940       2.169662  32.31560       1.932015  373.3559 12.35378 370.5617 11.08359 2.794220       16.59704 
1 1 1 5   9  2  o 1006.579 13.27860 238.5123       6.287377  221.1356       10.82327  247.3631       7.724376  968.2965 23.76188 1024.883 16.02212 -56.58618      28.65895 
1 1 1 5   9  3  o 282.8340 12.14143 18.82951       1.615365  15.53805       3.856736  19.52978       1.778921  254.2030 33.03370 288.0263 13.12971 -33.82324      35.54736 
1 1 1 5   9  4  o 1345.711 14.05901 426.4292       8.899707  438.6910       12.92059  415.3599       12.27629  1364.090 20.13586 1327.394 19.66065 36.69556       28.14239 
1 1 1 5   9  5  o 883.8279 12.55454 183.9234       5.219607  184.3936       8.382234  183.6256       6.670752  884.2155 20.15266 882.8129 16.06338 1.402588       25.77133 
1 1 1 5   9  6  o 296.1264 14.78111 20.66005       2.058987  18.81038       2.510370  24.46195       3.599078  281.7629 19.05216 320.8908 24.01739 -39.12787      30.65648 
1 1 1 5   9  7  o 1297.576 16.26372 396.8884       9.927088  391.4983       16.24776  400.0992       12.53983  1286.276 26.85283 1301.970 20.47489 -15.69409      33.76826 
1 1 1 5   9  8  o 724.5770 11.81043 123.6237       4.025497  125.5159       5.737396  121.7890       5.649448  729.6860 16.71512 718.7718 16.70882 10.91425       23.63429 
1 1 1 5   9  9  o 424.8123 13.32188 42.49847       2.662146  37.15330       3.609916  48.87101       3.941598  396.9272 19.33379 455.2931 18.40399 -58.36597      26.69274 
1 1 1 5   9  10 o 992.7521 15.79133 232.1236       7.374436  247.4138       14.19774  226.4745       8.629860  1023.175 29.49849 980.3246 18.71391 42.85071       34.93381 
1 1 1 5   9  11 f 1499.030 16.55649 529.1563       11.67476  537.9564       16.83123  520.9962       16.20762  1510.490 23.68801 1486.567 23.17744 23.92322       33.14084 
1 1 1 5   9  12 f 1095.560 14.41012 282.5284       7.426315  279.2134       10.42992  285.9372       10.57640  1088.677 20.36633 1101.703 20.40817 -13.02673      28.83194 
1 1 1 5   9  13 o 1082.866 14.63704 276.0160       7.455851  288.0803       10.87669  265.3220       10.24039  1105.820 20.90946 1061.274 20.51254 44.54578       29.29112 
1 1 1 5   9  14 o 908.0020 19.96210 194.2103       8.526336  192.6576       11.17516  196.3734       13.18986  903.8621 26.28344 912.0960 30.74187 -8.233948      40.44603 
1 1 1 5   9  15 o 1213.598 15.77238 346.7665       9.004118  344.7062       12.69655  348.8511       12.77127  1209.362 22.31825 1216.611 22.31582 -7.249512      31.56106 
1 1 1 5   9  16 o 1053.611 15.40228 261.3805       7.633690  267.5928       11.03885  255.6870       10.56788  1065.451 22.02526 1041.527 21.56989 23.92444       30.82811 
1 1 1 5   9  17 o 453.6257 26.06658 48.72789       5.538881  61.59335       9.538151  42.18193       6.803588  508.0611 40.23893 420.7791 34.68174 87.28204       53.12244 
1 1 1 5   9  18 o 592.1344 16.84809 82.60558       4.692888  82.27691       6.613446  82.93893       6.660293  590.4612 23.81042 592.8259 23.88344 -2.364685      33.72469 
1 1 1 5   9  19 o 925.7765 15.94497 201.9377       6.943833  201.4205       9.918000  202.4349       9.724970  923.7370 22.82477 926.1328 22.32265 -2.395813      31.92602 
1 1 1 5   9  20 f 1057.217 18.97741 263.6790       9.437792  274.4352       15.82645  257.7432       11.75699  1075.793 31.27413 1044.323 23.93271 31.47046       39.38078 
1 1 1 5   9  21 o 363.3380 22.64185 31.33475       3.850592  35.64867       5.747793  27.82225       5.186481  385.9896 31.94308 340.5133 32.78461 45.47629       45.77326 
1 1 1 5   9  22 o 571.5873 18.29053 77.17983       4.917882  87.19695       7.388485  69.21152       6.589722  606.2189 25.90936 540.0872 25.93785 66.13165       36.66151 
1 1 1 5   9  23 o 250.9128 46.51989 15.76957       5.288555  19.41439       8.777081  13.69203       6.626535  271.9837 68.60874 230.3132 60.41362 41.67044       91.41644 
1 1 1 5   9  24 o 98.19928 41.48998 0.3500478      3.294334  -1.481691      4.920236  1.838447       4.435207  107.9276 48.05048 122.5043 49.58219 -14.57671      69.04521 
1 1 1 5   9  25 f 641.3560 18.08943 97.51551       5.457496  98.53373       7.874756  96.57449       7.570370  641.9745 26.07654 635.8593 25.30969 6.115295       36.33960 
1 1 1 5   9  26 o 156.6954 47.30316 6.251537       3.779132  8.552320       6.737111  5.195197       4.564969  184.1571 63.78485 148.9716 52.45053 35.18544       82.58067 
1 1 1 5   9  27 o 97.47754 41.75490 0.1981310      3.416940  0.7178004      5.102965  -0.2242485     4.600558  119.7374 51.15145 109.0684 47.58155 10.66891       69.86040 
1 1 1 5   9  28 o 547.0642 20.21051 71.52107       5.200978  74.06775       7.413261  69.05253       7.298664  551.6574 28.66617 532.2282 29.26494 19.42920       40.96567 
1 1 1 5   9  29 o 119.2033 47.88952 2.275264       4.104424  -4.019025      7.165499  5.348927       5.007272  117.1109 54.34400 149.3888 54.63528 -32.27795      77.06026 
1 1 1 5   9  30 o 239.4826 52.54617 15.75422       5.756866  0.000000       0.000000  15.75422       5.756866  ?        ?        239.4826 52.54617 0.000000       52.54617 
1 1 1 5   9  31 o 463.2433 21.55496 51.80511       4.697055  44.79707       6.399260  59.99082       6.916080  422.9617 32.40979 491.8091 30.03872 -68.84738      44.18958 
1 1 1 5   9  32 o 94.47715 43.73843 -2.463296      4.601947  -3.284780      6.094956  -1.373960      7.018623  106.3094 49.59484 120.8996 55.25227 -14.59021      74.24595 
1 1 1 5   9  33 o 159.7527 46.04591 7.254090       3.649874  5.300238       5.637646  8.663967       4.788975  143.4171 56.61280 170.3435 53.58667 -26.92636      77.95216 
1 1 1 5   9  34 o 128.5173 49.35111 4.340452       4.190757  2.937872       5.965022  5.707491       5.888960  127.2856 54.85690 142.9742 57.39011 -15.68852      79.39083 
1 1 1 5   9  35 o 130.8968 46.92675 5.045642       3.669910  2.858502       5.763839  6.536861       4.759313  122.1221 53.26790 143.6580 53.14518 -21.53590      75.24546 
1 1 1 5   11 0  o 585.7495 10.77277 80.77270       2.968307  83.79906       5.683112  79.63739       3.480823  595.9225 20.27342 581.5122 12.72488 14.41034       23.93605 
1 1 1 5   11 2  o 1290.847 13.56324 392.4920       8.235834  393.0217       11.84092  391.9957       11.46274  1290.700 19.50253 1289.134 18.90258 1.566650       27.15982 
1 1 1 5   11 3  o 379.9599 8.633986 33.97627       1.543186  30.67776       4.891462  34.34086       1.626238  358.7527 29.23941 381.9818 9.050491 -23.22906      30.60807 
1 1 1 5   11 4  o 659.8933 10.00356 102.5016       3.105259  109.0963       7.878888  101.2889       3.378744  679.4267 24.65205 655.9264 10.95042 23.50031       26.97471 
1 1 1 5   11 5  o 983.5725 11.81761 227.7710       5.467709  232.4191       7.790073  223.2578       7.676201  993.0522 16.67632 973.2731 16.76650 19.77917       23.64773 
1 1 1 5   11 6  o 951.6704 11.83762 213.2148       5.299321  210.8708       7.385538  215.7023       7.608162  945.9991 16.59671 956.7425 16.90501 -10.74341      23.69030 
1 1 1 5   11 7  o 377.8806 15.23087 33.62963       2.707376  32.39564       3.020416  38.67420       6.106908  370.8113 17.31588 403.0056 32.48976 -32.19427      36.81608 
1 1 1 5   11 8  o 1234.841 14.03229 358.9736       8.150965  352.9513       11.29480  365.5184       11.77458  1223.901 19.61837 1245.443 20.09796 -21.54297      28.08573 
1 1 1 5   11 9  o 1017.896 13.08222 243.8622       6.264035  256.6130       9.212394  232.8975       8.542817  1043.789 18.76249 994.4249 18.26248 49.36426       26.18299 
1 1 1 5   11 10 o 913.4284 14.55945 196.3928       6.255887  203.7765       8.143457  185.7610       9.771805  930.2122 18.61048 887.8152 23.39823 42.39697       29.89694 
1 1 1 5   11 11 o 642.8647 15.89859 97.28914       4.807812  90.33889       8.842367  100.2063       5.728606  618.7485 30.37981 652.3218 18.66886 -33.57330      35.65752 
1 1 1 5   11 12 o 1085.029 16.14307 277.1566       8.239424  276.3674       13.53162  277.6216       10.38698  1082.626 26.57063 1085.644 20.33914 -3.017700      33.46161 
1 1 1 5   11 13 o 560.0783 18.26624 73.87327       4.812461  78.12129       6.903472  69.85732       6.712252  575.6111 25.49583 544.2766 26.21678 31.33447       36.56989 
1 1 1 5   11 14 o 1143.938 15.24532 308.0792       8.203676  309.7902       11.63785  306.3893       11.56599  1146.557 21.57782 1140.248 21.56325 6.309326       30.50535 
1 1 1 5   11 15 o 528.0663 16.14789 65.66503       4.011194  68.51734       5.733311  62.93026       5.613942  539.1049 22.60804 516.6310 23.10032 22.47388       32.32257 
1 1 1 5   11 16 o 1633.190 21.06252 628.7813       16.18142  633.0234       20.24842  621.2842       26.91794  1637.655 26.28448 1620.096 35.32089 17.55859       44.02771 
1 1 1 5   11 17 o 1087.781 15.83620 278.7135       8.103294  287.8108       11.72664  270.3997       11.21036  1104.558 22.56918 1070.670 22.25843 33.88782       31.69867 
1 1 1 5   11 18 o 348.6544 21.92697 28.79692       3.577875  25.37743       5.075932  32.17351       5.043979  325.5299 33.63268 367.6149 29.41464 -42.08502      44.68085 
1 1 1 5   11 19 o 650.5471 16.47913 99.76108       5.042923  107.4138       7.444902  93.27284       6.855093  674.2692 23.47234 628.3534 23.19210 45.91583       32.99733 
1 1 1 5   11 20 f 131.1993 44.25923 3.869339       3.239233  6.083824       4.778858  1.987115       4.405785  162.0476 53.74588 124.7836 49.79609 37.26401       73.26848 
1 1 1 5   11 21 o 460.5223 23.91120 50.37147       5.162076  52.84922       6.142059  44.41142       9.525995  470.9380 27.84942 425.8304 48.41667 45.10757       55.85485 
1 1 1 5   11 22 o 529.9186 18.77322 66.40717       4.679691  67.33561       6.756314  65.55101       6.488003  531.3813 27.11955 524.4697 26.38215 6.911621       37.83500 
1 1 1 5   11 23 o 122.0267 51.01972 1.024099       4.899389  1.024099       4.899389  0.000000       0.000000  122.0267 51.01972 ?        ?        0.000000       51.01972 
1 1 1 5   11 24 o 88.25449 40.17276 -2.045472      3.663966  2.351368       7.490895  -3.428174      4.200760  151.7547 63.23648 89.23054 41.47512 62.52413       75.62432 
1 1 1 5   11 25 o 200.3250 38.06143 10.09803       3.455521  10.74608       5.044618  9.525147       4.743006  202.5765 52.50600 191.1116 51.56680 11.46487       73.59357 
1 1 1 5   11 26 o 141.6012 45.15026 4.995896       3.390554  1.641219       5.028229  7.793039       4.591421  125.0371 51.93150 172.9420 52.12432 -47.90491      73.57870 
1 1 1 5   11 27 o 321.3117 31.76522 25.38827       4.738302  24.30486       5.752115  27.67539       8.357476  310.2749 40.36639 321.0056 57.45657 -10.73065      70.21897 
1 1 1 5   11 28 f 289.8010 44.64100 21.70182       5.890219  21.70182       5.890219  0.000000       0.000000  289.8010 44.64100 ?        ?        0.000000       44.64100 
1 1 1 5   11 29 o 284.6767 30.74466 20.07060       4.051724  25.83613       5.901786  14.93067       5.572397  317.9963 40.36309 234.4728 51.89440 83.52353       65.74349 
1 1 1 5   11 30 o 241.5877 39.67900 15.12837       4.352661  25.95422       8.156449  10.81786       5.146768  302.7067 59.40225 196.5384 54.00481 106.1682       80.28167 
1 1 1 5   11 31 o 172.6095 49.06181 8.290128       4.171702  0.8151011      7.040646  12.33422       5.178649  131.2700 58.00752 208.4811 52.76072 -77.21114      78.41280 
1 1 1 5   11 32 o 153.9680 45.09428 6.579670       3.475627  1.859691       5.850257  9.154333       4.320809  125.7883 54.26878 178.8547 49.61573 -53.06638      73.53110 
1 1 1 5   11 33 o 243.4632 36.82140 15.76766       4.085287  10.36266       5.587896  21.97384       5.987744  181.3029 57.97900 278.2957 47.44037 -96.99283      74.91431 
1 1 1 5   11 34 o 97.82523 41.87961 1.070806       3.433809  4.066588       5.194810  -1.253865      4.576098  129.0474 53.11508 95.96989 44.13705 33.07747       69.06005 
1 1 1 5   13 0  o 1298.408 13.46023 396.8846       8.221160  407.6085       11.89909  387.0900       11.37178  1315.199 19.23327 1281.715 18.86112 33.48389       26.93808 
1 1 1 5   13 1  o 422.8134 8.799027 42.06351       1.750059  41.99832       2.290756  42.15488       2.712190  422.4269 11.52811 423.1576 13.62538 -0.7307129     17.84792 
1 1 1 5   13 2  o 978.3463 20.83331 225.5945       9.587827  0.000000       0.000000  225.5945       9.587827  ?        ?        978.3463 20.83331 0.000000       20.83331 
1 1 1 5   13 3  o 590.1152 9.253680 81.93710       2.568743  92.68729       7.469960  80.49539       2.735572  626.8499 25.33293 584.8832 9.942822 41.96667       27.21428 
1 1 1 5   13 4  o 301.7367 8.868633 21.42086       1.258792  21.04638       5.354216  21.44277       1.295093  295.6178 39.49038 301.8881 9.119808 -6.270325      40.52976 
1 1 1 5   13 5  o 1296.198 13.96438 395.4641       8.514565  407.8478       19.08753  392.3878       9.513554  1314.429 30.87047 1291.022 15.66534 23.40662       34.61775 
1 1 1 5   13 6  o 1197.209 14.98873 337.3872       8.441199  367.7170       14.82269  322.8301       10.26902  1248.943 25.22987 1170.839 18.64501 78.10400       31.37169 
1 1 1 5   13 7  o 1197.447 13.54116 337.4602       7.627483  350.4131       11.09124  325.8375       10.50629  1219.817 19.32931 1176.291 18.98740 43.52612       27.09508 
1 1 1 5   13 8  o 1124.838 15.81169 297.8363       8.366381  304.5415       10.05911  282.7884       15.06933  1137.235 18.80356 1094.960 29.25676 42.27478       34.77832 
1 1 1 5   13 9  o 279.1958 17.07308 18.42026       2.231506  18.88570       2.867138  17.70511       3.553994  282.3094 21.75781 272.5710 28.12243 9.738373       35.55662 
1 1 1 5   13 10 o 1321.033 15.06160 410.7741       9.359533  397.7102       12.76543  425.9609       13.76362  1299.393 20.88457 1344.666 21.75950 -45.27307      30.16026 
1 1 1 5   13 11 o 1970.917 19.99748 914.9692       18.54014  907.7692       25.91538  922.5176       26.53503  1961.764 28.08287 1977.547 28.52486 -15.78235      40.02893 
1 1 1 5   13 12 o 901.8834 16.43909 191.5134       6.974250  189.4174       13.03576  192.3539       8.255052  895.7333 30.93773 903.6718 19.41958 -7.938477      36.52757 
1 1 1 5   13 13 o 983.5847 14.22875 227.7389       6.583364  221.8419       9.168541  234.0152       9.458806  970.3519 20.08638 996.6122 20.17627 -26.26031      28.47006 
1 1 1 5   13 14 f 1032.356 14.68665 250.9216       7.132167  249.8398       10.00934  252.0374       10.16529  1029.618 20.66617 1034.113 20.89693 -4.494995      29.39000 
1 1 1 5   13 15 o 1259.852 16.04012 373.8226       9.505965  352.7318       12.70930  400.6040       14.32158  1223.055 22.09054 1303.213 23.36179 -80.15845      32.15222 
1 1 1 5   13 16 o 914.6861 15.07531 197.0494       6.486457  189.1302       8.922586  205.9255       9.446270  895.5237 21.18090 934.4038 21.49099 -38.88013      30.17438 
1 1 1 5   13 17 o 129.7544 42.45856 3.857221       2.986094  4.915981       4.326942  2.894441       4.126158  149.3491 51.14948 129.6779 49.16585 19.67114       70.94752 
1 1 1 5   13 18 o 279.7056 26.01750 18.66244       3.383983  11.58517       4.791416  25.70589       4.779953  215.7074 48.40929 327.7809 31.38431 -112.0734      57.69258 
1 1 1 5   13 19 o 568.6301 18.38022 76.31396       4.916431  81.80738       8.106333  73.11754       6.183498  587.1693 29.34890 555.9650 23.64381 31.20428       37.68803 
1 1 1 5   13 20 o 469.9942 20.52079 52.22856       4.536866  52.40785       7.177447  52.10926       5.854876  467.7914 32.82520 467.8647 26.71364 -0.7324219E-01 42.32153 
1 1 1 5   13 21 o 725.3949 18.28345 124.3900       6.238812  128.5998       8.183964  118.5494       9.639720  736.3237 23.62793 705.4515 29.04878 30.87213       37.44477 
1 1 1 5   13 22 o 582.9913 18.40372 80.43320       5.047043  88.22598       7.312767  73.34483       6.974441  608.8558 25.53277 554.8274 26.72281 54.02838       36.95986 
1 1 1 5   13 23 o 404.4422 35.86141 39.82924       6.751891  50.98098       9.978100  30.41023       9.170207  452.4435 47.59661 343.0497 58.95128 109.3938       75.76734 
1 1 1 5   13 24 o 149.2182 43.84578 5.612597       3.281091  3.807683       4.687500  7.346400       4.594232  138.6999 52.44760 169.9123 52.32913 -31.21239      74.08839 
1 1 1 5   13 25 o 117.5277 45.64712 2.406368       3.616018  -0.8433414E-01 5.940765  3.872238       4.557527  124.3333 54.16004 137.5059 51.78038 -13.17262      74.93009 
1 1 1 5   13 26 o 209.4582 36.04386 11.03732       3.423301  14.03386       5.019642  8.431819       4.680669  231.9579 47.59949 178.7487 52.32495 53.20924       70.73621 
1 1 1 5   13 27 o 180.1707 41.50623 8.416411       3.445328  12.26435       5.045485  5.054569       4.716041  214.3939 50.80627 146.8602 53.12706 67.53369       73.51028 
1 1 1 5   13 28 o 422.9650 22.19050 43.05423       4.399693  44.42020       6.110539  41.58374       6.340015  425.2697 30.75277 409.9974 33.15686 15.27234       45.22289 
1 1 1 5   13 29 o 234.2612 33.71586 13.83274       3.608352  18.87920       5.083976  8.710115       5.122199  270.2174 41.30845 177.9049 55.33105 92.31248       69.05008 
1 1 1 5   13 30 o 199.0449 61.95834 11.65279       6.421173  11.65279       6.421173  0.000000       0.000000  199.0449 61.95834 ?        ?        0.000000       61.95834 
1 1 1 5   13 31 o 119.2479 43.61043 3.368568       3.190290  15.28538       5.922116  -1.503732      3.786727  229.3478 55.49361 89.49603 40.77744 139.8518       68.86465 
1 1 1 5   13 32 o 229.5980 33.95492 13.70519       3.556631  14.76813       6.028438  13.13767       4.404928  219.8912 57.59525 217.5988 44.53418 2.292343       72.80457 
1 1 1 5   13 33 o 239.5795 38.91286 15.61155       4.234951  10.13377       6.050962  20.87099       5.929147  175.4785 60.46825 267.9403 48.84147 -92.46173      77.72965 
1 1 1 5   15 0  o 846.4950 10.51315 168.5926       4.186265  171.1035       5.857113  165.9703       5.985523  852.6384 14.60325 839.7298 15.15281 12.90857       21.04430 
1 1 1 5   15 1  o 854.0469 15.57759 171.6842       6.258227  166.7955       9.407702  175.5648       8.381807  841.3784 23.76966 863.3993 20.63748 -22.02087      31.47860 
1 1 1 5   15 2  o 867.5266 10.88258 177.0779       4.441031  199.2402       6.909331  161.4761       5.797169  920.0201 15.96502 828.2959 14.87857 91.72418       21.82323 
1 1 1 5   15 3  o 1853.719 21.21795 809.3414       18.50191  815.3984       33.23870  806.6222       22.27119  1857.784 38.03466 1850.017 25.59165 7.766724       45.84286 
1 1 1 5   15 4  o 2130.940 20.50165 1069.413       20.55083  1085.612       43.30291  1064.703       23.34763  2142.313 42.96994 2125.834 23.34770 16.47949       48.90328 
1 1 1 5   15 5  o 1010.916 12.99181 240.4902       6.178089  0.000000       0.000000  240.4902       6.178089  ?        ?        1010.916 12.99181 0.000000       12.99181 
1 1 1 5   15 6  o 586.5139 9.724432 80.93310       2.682945  77.55649       7.903342  81.37290       2.852325  572.6972 29.43657 588.0943 10.31057 -15.39709      31.19006 
1 1 1 5   15 7  o 830.4891 14.04754 162.3264       5.487865  175.9810       11.61246  158.3999       6.227113  863.8345 28.57752 820.2982 16.13785 43.53625       32.81927 
1 1 1 5   15 8  o 1142.589 14.81244 307.2894       7.961337  313.8203       10.22524  297.2355       12.68689  1154.399 18.82991 1123.052 24.01520 31.34692       30.51713 
1 1 1 5   15 9  o 355.3829 16.16375 29.73341       2.702141  29.77624       2.973433  29.53032       6.475044  355.6034 17.77554 351.0955 39.91508 4.507935       43.69421 
1 1 1 5   15 10 o 778.7974 12.15590 142.7371       4.453291  136.5354       6.026257  150.1982       6.609944  761.4917 16.82338 798.6428 17.59446 -37.15106      24.34319 
1 1 1 5   15 11 o 1568.782 16.90250 579.5381       12.47334  577.2646       17.48391  581.8946       17.80028  1564.793 23.75266 1571.004 24.08687 -6.210327      33.82848 
1 1 1 5   15 12 f 1795.069 21.30463 759.4468       17.98973  722.0571       28.33879  784.6846       23.28259  1747.412 34.47598 1823.482 27.14316 -76.06958      43.87874 
1 1 1 5   15 13 o 397.2943 20.98354 37.31007       3.907665  24.38764       7.901524  41.49383       4.495954  315.1776 55.31245 418.8496 22.90568 -103.6719      59.86767 
1 1 1 5   15 14 o 1011.808 14.36253 241.0688       6.835944  237.0457       9.433526  245.5173       9.919760  1002.783 19.99851 1020.467 20.66488 -17.68384      28.75722 
1 1 1 5   15 15 o 690.4925 15.90244 112.3224       5.165259  119.1425       6.788205  102.9429       7.960642  710.7816 20.30250 660.1741 25.63423 50.60742       32.70023 
1 1 1 5   15 16 o 1109.833 18.55471 290.4591       9.686823  284.2568       11.20112  308.8585       19.29254  1097.396 21.69845 1140.367 35.96460 -42.97131      42.00328 
1 1 1 5   15 17 o 519.7443 20.56513 63.78030       5.027944  66.41957       5.848265  56.30202       9.844338  530.0836 23.45381 483.1902 43.78671 46.89334       49.67250 
1 1 1 5   15 18 o 379.6680 21.75472 34.18847       3.869132  29.63734       6.180520  37.12154       4.961655  350.2451 38.12917 394.8333 26.87418 -44.58813      46.64820 
1 1 1 5   15 19 o 428.0116 22.51244 43.48976       4.516671  55.55886       10.51030  40.75605       5.002107  476.9142 47.48077 413.6890 25.83379 63.22516       54.05375 
1 1 1 5   15 20 o 610.3787 16.48389 87.99515       4.732912  94.07801       7.018562  82.92217       6.409521  629.7205 23.69360 591.3444 23.04177 38.37604       33.05011 
1 1 1 5   15 21 o 164.6218 42.56840 6.827688       3.320890  5.392542       4.424052  8.680143       5.026273  152.2208 51.72227 185.1031 54.23293 -32.88228      74.94267 
1 1 1 5   15 22 o 477.9393 18.56703 54.12486       4.174307  61.60731       6.114820  47.59480       5.712424  507.5766 25.69388 445.4563 27.39406 62.12027       37.55809 
1 1 1 5   15 23 o 476.9311 18.62272 53.96647       4.177997  53.00100       5.913398  54.92880       5.903773  469.7278 26.87376 478.4148 26.33488 -8.687073      37.62613 
1 1 1 5   15 24 o 170.9518 42.33763 7.498477       3.386813  5.552914       5.466885  8.710259       4.314491  156.6118 57.11642 182.9436 49.10636 -26.33173      75.32410 
1 1 1 5   15 25 o 395.9879 20.54508 37.47823       3.813857  36.64843       5.464915  38.26609       5.325022  388.0200 30.17796 397.1723 28.69499 -9.152252      41.64267 
1 1 1 5   15 26 o 190.8853 36.26649 9.225931       3.137409  6.345225       4.408965  12.18100       4.465508  157.8422 51.58915 216.4228 45.31603 -58.58058      68.66573 
1 1 1 5   15 27 o 314.3865 25.05635 23.95915       3.674767  29.57734       5.431107  19.21535       4.990603  345.4953 33.85264 275.1448 39.70797 70.35049       52.17973 
1 1 1 5   15 28 f 208.4430 41.94884 11.33574       3.970764  12.31399       5.016068  9.693818       6.498498  213.1768 50.75150 187.0270 62.69069 26.14981       80.65877 
1 1 1 5   15 29 o 186.5037 38.57182 9.071335       3.272274  6.493132       4.508046  11.94265       4.757403  156.2005 52.21516 209.1472 49.18196 -52.94666      71.73067 
1 1 1 5   15 30 o 315.6067 26.77479 24.58799       3.937544  24.72652       6.527644  24.50875       4.936852  302.1989 47.48514 310.4716 34.38042 -8.272675      58.62467 
1 1 1 5   15 31 o 258.9374 35.03918 17.36776       4.158319  0.000000       0.000000  17.36776       4.158319  ?        ?        258.9374 35.03918 0.000000       35.03918 
1 1 1 5   15 32 o 125.6343 45.64172 4.112400       3.486071  2.280321       4.958036  5.903687       4.902531  119.7490 50.76388 144.8712 53.87034 -25.12216      74.02017 
1 1 1 5   17 0  o 246.0474 13.24430 14.28845       1.527268  14.06621       1.725559  15.09215       3.281424  243.9915 15.10872 251.4132 28.23444 -7.421753      32.02275 
1 1 1 5   17 1  o 612.0895 12.38197 88.16349       3.565119  99.61356       7.478402  84.79599       4.055631  650.1473 24.45275 600.2336 14.36378 49.91370       28.35940 
1 1 1 5   17 2  o 1823.344 17.89029 782.7776       15.34459  813.9748       22.60668  756.1251       20.89528  1858.249 25.86210 1791.158 24.79962 67.09082       35.83112 
1 1 1 5   17 3  o 966.8368 14.09100 220.0068       6.408616  223.6623       12.36454  218.6641       7.493746  973.9676 26.98759 963.7608 16.52953 10.20679       31.64735 
1 1 1 5   17 4  o 1225.019 13.56069 353.1828       7.814370  364.7444       18.51785  350.6779       8.619425  1243.158 31.66612 1220.580 15.01215 22.57849       35.04437 
1 1 1 5   17 5  f 1033.209 12.03214 251.2110       5.847906  265.9929       14.35332  248.2688       6.403481  1061.894 28.73438 1027.085 13.25380 34.80945       31.64376 
1 1 1 5   17 6  o 405.7205 12.94215 38.74007       2.470033  41.20095       6.902749  38.37870       2.645182  416.0650 35.61204 403.8041 13.92565 12.26086       38.23796 
1 1 1 5   17 7  o 446.6258 13.14390 46.94783       2.761451  49.46493       7.199534  46.51365       2.990149  456.3596 33.77719 444.5287 14.29959 11.83087       36.67939 
1 1 1 5   17 8  o 666.9308 11.20952 104.6700       3.516715  94.61951       8.973277  106.4939       3.822501  633.0994 30.13074 672.6886 12.07992 -39.58917      32.46207 
1 1 1 5   17 9  o 1248.264 14.17092 366.8004       8.320964  373.1761       11.87043  360.6410       11.66743  1258.518 20.05109 1237.201 20.04776 21.31714       28.35417 
1 1 1 5   17 10 o 1201.291 14.09316 339.7336       7.963897  330.8472       10.86850  350.0372       11.70304  1184.973 19.49809 1218.750 20.41337 -33.77771      28.22908 
1 1 1 5   17 11 o 246.3676 57.50200 15.08621       6.542571  0.000000       0.000000  15.08621       6.542571  ?        ?        246.3676 57.50200 0.000000       57.50200 
1 1 1 5   17 12 o 749.2291 12.70776 132.1500       4.478709  129.6555       6.161026  134.9455       6.522087  741.8073 17.65601 756.7376 18.32196 -14.93030      25.44463 
1 1 1 5   17 13 o 669.9139 13.13463 105.6719       4.139102  112.8198       5.964726  99.03307       5.748415  691.8369 18.32810 648.1477 18.85406 43.68921       26.29439 
1 1 1 5   17 14 o 344.7072 25.50830 28.23401       4.106830  23.44530       8.184608  29.84542       4.747789  306.9995 58.81625 353.9867 28.76118 -46.98727      65.47180 
1 1 1 5   17 15 f 263.5262 21.68431 16.51028       2.664205  17.14117       3.808830  15.90589       3.727982  267.1195 30.88144 257.0753 31.48609 10.04419       44.10258 
1 1 1 5   17 16 o 666.7040 14.43595 104.7677       4.527388  100.4639       6.263793  109.4756       6.551265  652.1751 20.41756 680.7917 20.45698 -28.61664      28.90268 
1 1 1 5   17 17 o 721.8602 18.24315 123.0470       6.194726  125.0416       7.153031  117.0630       12.38958  727.2352 20.90961 698.5574 37.84497 28.67786       43.23718 
1 1 1 5   17 18 o 553.7209 15.99681 72.37132       4.166714  73.69339       5.918375  71.07201       5.867203  557.7776 22.55652 547.7303 22.77168 10.04724       32.05224 
1 1 1 5   17 19 o 491.7798 17.15741 57.15442       3.969098  52.07242       5.559219  62.43854       5.668687  467.4225 25.37848 512.9454 23.49319 -45.52286      34.58320 
1 1 1 5   17 20 o 213.5569 42.51260 11.44861       4.120571  23.15696       8.615106  7.975625       4.692071  297.8717 63.42858 177.7545 52.48997 120.1172       82.33092 
1 1 1 5   17 21 o 124.1957 41.79101 3.569974       2.887948  6.599059       4.226532  0.9171909      3.955298  162.5488 50.21294 110.4498 45.98133 52.09904       68.08540 
1 1 1 5   17 22 o 84.63757 37.03948 -0.4799968     2.807330  -7.802157      4.094877  6.013443       3.856192  72.22333 35.41309 155.0106 47.97557 -82.78728      59.63005 
1 1 1 5   17 23 o 364.0296 26.74557 31.95192       4.547852  30.90580       5.280127  34.95839       8.951203  356.1756 31.85064 368.3513 53.20131 -12.17569      62.00680 
1 1 1 5   17 24 o 370.3734 20.73334 32.78682       3.597746  32.50826       5.178874  33.04665       5.001712  365.4803 30.39907 369.0449 29.04656 -3.564575      42.04528 
1 1 1 5   17 25 o 194.4645 35.48284 9.523237       3.126245  10.09491       4.493010  8.986712       4.352684  195.8135 48.91946 184.7674 49.20269 11.04604       69.38313 
1 1 1 5   17 26 f 252.6193 40.57033 16.25287       4.657907  17.05708       7.842130  15.81451       5.789851  245.2090 66.36739 243.4745 52.12576 1.734451       84.39032 
1 1 1 5   17 27 o 88.00363 38.07848 -0.5133484E-01 2.897266  -3.918901      4.209099  3.431144       3.994059  85.74084 40.38449 127.8580 48.39731 -42.11720      63.03338 
1 1 1 5   17 28 o 103.3465 40.88965 1.779630       2.947330  -3.834991      4.131980  7.595261       4.205295  84.59665 39.89618 167.5013 49.74952 -82.90469      63.77084 
1 1 1 5   17 29 o 77.91138 37.42048 -4.966615      3.987225  -0.4456005     5.231838  -11.23068      6.158350  111.3896 49.57343 86.09029 42.45024 25.29935       65.26521 
1 1 1 5   17 30 o 107.1417 41.45919 2.324035       2.974424  -0.3787158     4.865356  3.937025       3.758613  106.8615 47.66349 127.4550 47.21321 -20.59354      67.08871 
1 1 1 5   17 31 o 110.3031 43.60009 2.474192       3.348025  4.146849       4.998002  1.112664       4.509271  133.0369 53.05378 110.1668 47.58675 22.87008       71.26852 
1 1 1 5   19 0  o 753.6116 11.95673 133.6543       4.238668  135.8799       5.145214  128.9536       7.477334  759.7628 14.39647 739.7695 21.48726 19.99335       25.86428 
1 1 1 5   19 1  o 878.0897 10.97531 181.4373       4.533411  180.4593       6.181962  182.5751       6.668015  875.5362 15.01008 880.5943 16.09724 -5.058105      22.00962 
1 1 1 5   19 2  o 1630.358 23.34341 626.5576       17.90262  0.000000       0.000000  626.5576       17.90262  ?        ?        1630.358 23.34341 0.000000       23.34341 
1 1 1 5   19 3  o 396.7348 12.16420 37.04287       2.270144  31.57381       3.410504  41.39376       3.041949  365.5515 19.90859 419.3100 15.42224 -53.75851      25.18328 
1 1 1 5   19 4  o 489.0736 21.88149 56.37230       5.034083  54.78597       7.827785  57.49109       6.573810  480.1479 34.89586 492.7430 28.48285 -12.59515      45.04436 
1 1 1 5   19 5  f 617.8600 12.40042 89.84880       3.604091  92.92509       8.732594  89.21722       3.956804  627.3561 29.59101 615.6401 13.66307 11.71600       32.59306 
1 1 1 5   19 6  o 913.7586 20.30423 196.7540       8.727449  195.9275       12.41102  197.5624       12.27506  910.9476 28.96307 914.7932 28.52538 -3.845581      40.65166 
1 1 1 5   19 7  o 1683.694 37.15623 671.2248       29.42823  671.2248       29.42823  0.000000       0.000000  1683.694 37.15623 ?        ?        0.000000       37.15623 
1 1 1 5   19 8  o 2138.122 31.23117 1080.705       31.41160  1138.823       47.02709  1033.888       42.20805  2188.563 45.67933 2086.574 43.00235 101.9890       62.73598 
1 1 1 5   19 9  o 991.9630 15.27279 231.7412       7.126613  223.5732       14.14325  234.5208       8.250602  972.3401 30.92157 997.6806 17.58024 -25.34052      35.56977 
1 1 1 5   19 10 o 476.4658 14.52865 53.46555       3.256314  47.97860       8.646625  54.37236       3.515110  447.3866 41.56100 480.4433 15.55348 -33.05664      44.37598 
1 1 1 5   19 11 o 366.2316 12.50941 31.58099       2.155073  34.71663       2.955798  28.02245       3.148818  383.8333 16.37053 344.1615 19.53030 39.67188       25.48386 
1 1 1 5   19 12 o 996.6484 13.31155 233.9547       6.240794  239.1162       8.808267  228.7518       8.843469  1006.912 18.59643 984.7758 19.09044 22.13617       26.65093 
1 1 1 5   19 13 o 1064.541 15.49353 267.1165       7.758574  273.0472       10.07442  258.4721       12.16284  1075.539 19.91245 1045.432 24.73261 30.10730       31.75229 
1 1 1 5   19 14 o 331.9026 16.48985 25.98196       2.574522  27.81409       3.604335  24.07350       3.678650  342.2658 22.51244 317.9781 24.78945 24.28766       33.48622 
1 1 1 5   19 15 o 792.0193 17.13990 148.0475       6.385772  162.4257       13.79180  144.1240       7.204557  824.9384 35.54103 781.0406 19.60940 43.89777       40.59179 
1 1 1 5   19 16 o 352.9839 17.45903 29.42469       2.898973  32.14153       4.171359  26.88667       4.031740  367.4448 24.26996 335.6639 25.72986 31.78088       35.37028 
1 1 1 5   19 17 f 413.3556 16.44428 40.35257       3.197481  43.28111       4.674689  37.77785       4.383213  426.5749 23.38551 398.4266 23.49095 28.14832       33.14674 
1 1 1 5   19 18 o 450.5884 19.92789 48.08297       4.223870  47.36628       4.764661  50.71344       9.128170  446.1839 22.77708 455.1901 43.14587 -9.006226      48.78895 
1 1 1 5   19 19 o 538.2709 15.93243 68.48924       4.034153  76.13609       5.902244  61.78485       5.526574  566.2010 22.16038 509.8544 23.04308 56.34659       31.96977 
1 1 1 5   19 20 o 74.33140 33.67512 -1.344983      2.536655  0.8387038      3.675821  -3.330445      3.505015  106.4910 44.32964 79.60800 37.29139 26.88295       57.92896 
1 1 1 5   19 21 o 361.4998 24.12555 31.31394       4.078994  32.46136       9.252409  31.03713       4.544450  353.7526 57.58218 359.0291 27.10790 -5.276550      63.64390 
1 1 1 5   19 22 o 149.4306 39.35929 5.668197       2.805095  6.254902       4.002974  5.102117       3.931986  157.5197 48.90123 145.5047 48.76440 12.01497       69.06010 
1 1 1 5   19 23 o 159.1705 37.51286 6.439122       2.762763  3.266308       3.887913  9.675473       3.926648  127.5027 47.86215 193.8442 44.06134 -66.34154      65.05526 
1 1 1 5   19 24 o 316.8010 28.71058 24.41648       4.232081  23.19501       4.866343  28.20749       8.573129  306.5475 34.33682 325.5040 58.12290 -18.95648      67.50770 
1 1 1 5   19 25 o 396.2874 22.19749 37.70754       4.121286  36.17420       5.278812  40.10107       6.595342  385.1896 29.35448 402.6534 35.17368 -17.46381      45.81345 
1 1 1 5   19 26 o 218.9158 32.01420 11.95862       3.199336  10.18591       4.529838  13.72306       4.519270  194.9706 49.34698 229.7780 43.40170 -34.80740      65.71783 
1 1 1 5   19 27 f 244.3417 32.30700 14.94677       3.622265  13.00535       7.345448  15.57058       4.163737  210.8096 66.37386 247.2778 36.92702 -36.46822      75.95454 
1 1 1 5   19 28 o 160.1036 40.19840 6.799434       3.023070  0.2811832      4.921043  10.75030       3.831225  112.4620 49.13241 201.3569 41.81588 -88.89488      64.51791 
1 1 1 5   19 29 o 118.6419 40.86928 3.511828       2.764052  0.7898335      4.253294  5.501776       3.636659  107.7368 46.37727 142.9798 46.85935 -35.24296      65.92913 
1 1 1 5   19 30 o 355.8678 36.67021 33.05589       6.050704  33.05589       6.050704  0.000000       0.000000  355.8678 36.67021 ?        ?        0.000000       36.67021 
1 1 1 5   21 0  o 853.0637 11.19649 171.2762       4.492963  168.0099       6.095960  175.1607       6.647872  844.6390 15.34270 862.3491 16.38816 -17.71002      22.44928 
1 1 1 5   21 1  o 238.7456 12.88994 13.45750       1.442259  12.71544       1.579312  17.18490       3.539569  231.9239 14.54985 268.2236 28.48944 -36.29973      31.98978 
1 1 1 5   21 2  o 706.2918 10.64693 117.4028       3.537349  128.6607       5.121833  107.1357       4.891263  739.1698 14.73031 674.4716 15.41658 64.69824       21.32260 
1 1 1 5   21 3  o 528.4707 12.51485 65.74522       3.111112  83.26398       5.926525  59.08118       3.655252  594.2369 21.20172 500.8534 15.51449 93.38354       26.27189 
1 1 1 5   21 4  o 1197.965 13.36853 337.8940       7.533503  389.7147       19.44512  328.7422       8.171698  1283.341 32.21063 1181.501 14.70310 101.8401       35.40771 
1 1 1 5   21 5  o 752.1694 20.49578 133.4094       7.251859  134.8692       10.55612  132.1046       9.979512  755.2067 29.71454 747.6033 28.37715 7.603333       41.08791 
1 1 1 5   21 6  o 426.6185 37.45565 43.51962       7.440600  43.51962       7.440600  0.000000       0.000000  426.6185 37.45565 ?        ?        0.000000       37.45565 
1 1 1 5   21 7  o 576.8849 22.75233 78.55640       6.174253  70.15459       8.666090  87.21761       8.798847  542.9038 34.10700 606.1533 30.96173 -63.24951      46.06426 
1 1 1 5   21 8  o 727.6311 21.82540 124.9730       7.470379  128.6861       11.02326  121.8193       10.15901  736.8848 31.80103 717.2352 30.11067 19.64960       43.79449 
1 1 1 5   21 9  o 397.7816 27.81746 37.63110       5.172362  35.49346       7.474138  39.59572       7.165283  383.4873 42.12661 406.2093 37.93769 -22.72198      56.69144 
1 1 1 5   21 10 o 284.6553 38.32584 19.64187       5.001495  20.54103       7.096535  18.75446       7.050059  287.2915 54.50557 273.7340 56.61973 13.55750       78.59167 
1 1 1 5   21 11 o 852.5228 14.62048 171.3048       5.863230  166.7063       12.78490  172.5296       6.597983  837.5366 32.45071 855.3318 16.39862 -17.79523      36.35881 
1 1 1 5   21 13 o 522.8749 14.56868 64.46909       3.583334  62.50504       3.862420  76.60524       9.601157  514.7172 15.95223 565.0908 36.31128 -50.37360      39.66085 
1 1 1 5   21 14 f 944.4673 13.30038 210.3052       5.909084  211.1922       8.249186  209.3704       8.468546  945.3923 18.54939 941.1681 19.12812 4.224182       26.64517 
1 1 1 5   21 15 o 523.0719 13.27723 64.52330       3.266918  62.19870       4.463445  67.20558       4.794543  512.9226 18.49903 533.0742 19.12010 -20.15155      26.60437 
1 1 1 5   21 16 o 656.9568 19.24631 102.1457       5.947763  0.000000       0.000000  102.1457       5.947763  ?        ?        656.9568 19.24631 0.000000       19.24631 
1 1 1 5   21 17 o 420.1472 15.85133 41.71513       3.132828  48.93311       4.569600  35.31375       4.303355  454.1694 21.38903 384.6998 23.89841 69.46957       32.07217 
1 1 1 5   21 18 o 231.6018 23.84506 12.89522       2.560693  18.33130       3.688362  7.836918       3.557894  275.3575 28.90655 175.7698 43.31120 99.58772       52.07157 
1 1 1 5   21 19 o 351.6477 23.84092 29.58988       3.920365  28.24212       4.402646  34.75030       8.614893  342.5239 27.55778 370.8751 50.70871 -28.35120      57.71313 
1 1 1 5   21 20 o 295.4615 20.19237 20.83111       2.789641  22.81267       4.137120  19.17895       3.777637  307.0114 28.98982 281.2868 28.96380 25.72458       40.97940 
1 1 1 5   21 21 o 332.3585 19.06434 26.31368       2.968100  22.28902       4.221142  30.24953       4.174304  302.8802 30.02265 354.8205 25.17295 -51.94031      39.17955 
1 1 1 5   21 22 o 443.2727 23.96300 47.10909       4.978119  0.000000       0.000000  47.10909       4.978119  ?        ?        443.2727 23.96300 0.000000       23.96300 
1 1 1 5   21 23 o 215.4909 28.39078 11.37911       2.807834  11.98980       4.086503  10.83295       3.864542  216.7395 41.59420 205.8564 41.34412 10.88306       58.64652 
1 1 1 5   21 24 o 104.4764 39.48286 2.092229       2.655477  4.329998       3.783078  -0.8125515E-01 3.728343  135.7761 47.75359 99.46261 43.11620 36.31353       64.33826 
1 1 1 5   21 25 o 132.9745 43.95841 4.385997       3.197779  2.124136       3.609304  12.64269       6.895940  113.8127 45.17992 211.5900 63.90387 -97.77733      78.26193 
1 1 1 5   21 26 o 152.8180 36.57283 6.048600       2.593992  5.308645       3.674386  6.783799       3.662560  143.6606 47.10272 159.6825 46.15493 -16.02199      65.94652 
1 1 1 5   21 27 o 130.8158 39.87513 4.443144       2.675958  6.465518       4.536752  3.364139       3.313798  155.4593 52.37909 121.1522 44.42537 34.30714       68.68175 
1 1 1 5   21 28 o 169.4929 45.67182 7.912342       3.723548  0.000000       0.000000  7.912342       3.723548  ?        ?        169.4929 45.67182 0.000000       45.67182 
1 1 1 5   23 0  o 675.4771 10.48785 107.4104       3.332470  111.7918       4.529144  102.2384       4.920832  688.8788 13.97668 658.6354 15.88269 30.24335       21.15674 
1 1 1 5   23 1  o 980.9087 11.85826 226.5641       5.471656  234.1860       7.718540  218.8644       7.757789  996.7460 16.46195 963.5030 17.11653 33.24298       23.74808 
1 1 1 5   23 2  o 582.8032 13.50154 80.00781       3.701472  98.72177       8.282975  75.33811       4.137594  645.9016 27.26156 565.4014 15.55685 80.50024       31.38803 
1 1 1 5   23 3  o 632.4537 15.23927 94.26315       4.533797  0.000000       0.000000  94.26315       4.533797  ?        ?        632.4537 15.23927 0.000000       15.23927 
1 1 1 5   23 4  o 1010.826 12.09904 240.6257       5.753033  269.2033       15.05783  235.7412       6.225307  1065.695 30.03726 1000.391 13.22884 65.30377       32.82132 
1 1 1 5   23 5  o 717.1965 20.38430 121.4324       6.877068  134.8395       10.47213  111.2664       9.118964  754.2143 29.51691 685.3399 28.28591 68.87439       40.88203 
1 1 1 5   23 6  o 514.8995 22.54052 62.65508       5.459535  78.38883       8.685591  52.37812       7.019652  573.6091 32.32119 468.5843 32.03842 105.0248       45.50956 
1 1 1 5   23 7  o 563.0856 22.55453 74.95068       5.974169  87.48515       9.141470  65.60643       7.892881  605.9473 32.18638 524.5066 32.14514 81.44073       45.48927 
1 1 1 5   23 8  o 192.2330 58.57343 9.081451       5.774815  0.000000       0.000000  9.081451       5.774815  ?        ?        192.2330 58.57343 0.000000       58.57343 
1 1 1 5   23 10 o 1078.367 23.10262 275.2866       11.71918  283.1451       16.99542  268.1629       16.18138  1089.932 33.14844 1061.008 32.42108 28.92395       46.36750 
1 1 1 5   23 11 o 395.1624 28.83892 37.32056       5.323716  27.87158       7.265462  48.27587       7.823176  336.3538 47.22047 447.4337 37.51565 -111.0799      60.30917 
1 1 1 5   23 12 o 556.9222 37.15024 74.70274       9.676676  74.70274       9.676676  0.000000       0.000000  556.9222 37.15024 ?        ?        0.000000       37.15024 
1 1 1 5   23 13 o 445.4587 12.40203 46.78394       2.598779  56.95601       8.746391  45.79895       2.721696  485.0344 38.65521 440.6806 13.12944 44.35373       40.82410 
1 1 1 5   23 14 o 304.5577 12.14006 21.87092       1.739241  19.77364       2.353830  24.39291       2.581178  288.6882 17.41464 320.7858 17.16767 -32.09760      24.45401 
1 1 1 5   23 15 o 528.4897 12.47001 65.88058       3.100078  68.31154       4.572259  63.81218       4.217537  537.3033 18.09015 519.4469 17.26031 17.85638       25.00343 
1 1 1 5   23 16 o 213.0412 19.85428 10.84959       1.966779  9.605451       2.715116  12.22318       2.852888  198.1983 30.06550 224.6707 27.57283 -26.47244      40.79455 
1 1 1 5   23 17 o 94.90908 38.06344 1.119743       2.588014  1.754459       6.922939  1.016631       2.790322  144.5343 60.55601 96.68329 39.25883 47.85097       72.16846 
1 1 1 5   23 18 o 103.6952 36.60675 2.310402       2.225049  3.371383       3.037100  1.081154       3.269077  122.8860 42.81132 103.3403 42.28793 19.54575       60.17540 
1 1 1 5   23 19 o 112.7282 36.47975 3.013803       2.207152  5.072665       3.255187  1.261791       3.002832  143.0756 44.04521 101.3984 40.88239 41.67713       60.09451 
1 1 1 5   23 20 f 365.7221 21.81702 31.96202       3.736234  32.18553       4.238544  31.18312       7.912351  366.1822 24.75186 350.2791 49.39094 15.90302       55.24599 
1 1 1 5   23 21 o 353.9022 19.76413 29.88103       3.277116  30.73722       5.201172  29.31736       4.220172  355.1766 31.45599 348.7745 25.90771 6.402100       40.75155 
1 1 1 5   23 22 o 151.3940 36.35603 5.832432       2.556538  3.592179       3.690142  7.900147       3.545193  128.6292 46.92365 174.7713 43.33595 -46.14207      63.87357 
1 1 1 5   23 23 o 392.9371 21.13697 37.00358       3.892564  44.17361       8.509044  35.10599       4.377459  417.1556 44.02752 381.4715 24.52440 35.68411       50.39711 
1 1 1 5   23 24 o 127.7626 37.63179 4.150316       2.414403  5.988720       3.477512  2.439410       3.354759  151.6236 45.28738 114.1240 44.06664 37.49960       63.18873 
1 1 1 5   23 25 o 210.5919 26.89392 10.94056       2.603352  9.361053       3.744503  12.41837       3.621947  188.1178 43.22303 220.7454 36.13069 -32.62759      56.33522 
1 1 1 5   23 26 o 294.4650 25.11096 21.22772       3.445055  25.13497       3.986486  9.702736       6.846605  319.7656 26.74832 183.7445 64.26366 136.0211       69.60812 
1 1 1 5   23 27 o 129.6716 39.46227 4.423585       2.622380  0.9179549      4.020657  7.018947       3.459496  106.4406 45.43591 160.2561 44.37442 -53.81550      63.50993 
1 1 1 5   25 0  f 797.2506 12.59227 149.7623       4.722459  156.9354       5.801278  135.6718       8.130788  815.7999 15.11718 757.2811 22.82476 58.51880       27.37697 
1 1 1 5   25 1  o 262.7531 11.70569 16.26314       1.446819  15.98282       1.696219  17.01171       2.771875  260.0267 13.91786 267.2867 22.24796 -7.260040      26.24268 
1 1 1 5   25 2  o 434.3664 16.42889 44.51229       3.356863  0.000000       0.000000  44.51229       3.356863  ?        ?        434.3664 16.42889 0.000000       16.42889 
1 1 1 5   25 3  o 333.4783 16.63990 26.23973       2.610282  0.000000       0.000000  26.23973       2.610282  ?        ?        333.4783 16.63990 0.000000       16.63990 
1 1 1 5   25 4  o 408.9097 35.32407 40.19025       6.727946  40.19025       6.727946  0.000000       0.000000  408.9097 35.32407 ?        ?        0.000000       35.32407 
1 1 1 5   25 5  o 419.0797 35.74880 42.24138       6.979978  42.24138       6.979978  0.000000       0.000000  419.0797 35.74880 ?        ?        0.000000       35.74880 
1 1 1 5   25 6  o 497.3477 22.82701 58.56251       5.340457  72.17599       8.288752  48.90012       6.983078  549.4482 32.21032 451.6819 33.09628 97.76630       46.18299 
1 1 1 5   25 7  o 609.5305 22.25937 87.95711       6.382307  85.61237       9.047692  90.27943       9.004354  598.3754 32.26285 614.8248 31.23642 -16.44946      44.90662 
1 1 1 5   25 8  o 983.8395 30.85080 230.6778       14.27776  0.000000       0.000000  230.6778       14.27776  ?        ?        983.8395 30.85080 0.000000       30.85080 
1 1 1 5   25 9  o 443.1410 26.52276 46.82579       5.503384  54.48871       8.359118  40.96314       7.311568  474.9814 37.72291 411.2816 38.22973 63.69980       53.70782 
1 1 1 5   25 10 o 619.2820 23.55725 90.97848       6.862502  90.90369       9.735591  91.05233       9.674781  615.3921 33.76004 615.9851 33.51497 -0.5930176     47.57093 
1 1 1 5   25 11 o 594.0294 35.47177 84.98811       9.866712  84.98811       9.866712  0.000000       0.000000  594.0294 35.47177 ?        ?        0.000000       35.47177 
1 1 1 5   25 12 o 333.5124 33.30830 26.91154       5.155679  31.80737       7.472853  22.46433       7.122240  358.9164 45.26813 298.1435 52.71164 60.77295       69.48180 
1 1 1 5   25 13 o 545.8794 25.73117 70.93047       6.607323  75.23782       9.770605  67.30083       8.969093  557.3431 37.48537 527.4489 36.37151 29.89429       52.23064 
1 1 1 5   25 14 o 538.9194 26.64537 69.23460       6.754837  75.83235       10.22194  64.12010       8.999886  558.4642 39.15836 514.0377 37.47789 44.42651       54.20304 
1 1 1 5   25 15 o 533.8489 12.79371 67.25148       3.212803  50.50536       9.444213  69.44310       3.416576  452.3343 44.98167 542.3929 13.39084 -90.05856      46.93256 
1 1 1 5   25 16 o 523.1458 14.40142 64.65495       3.544031  63.60020       3.820347  71.16528       9.491385  518.6530 15.65873 540.8121 37.54156 -22.15906      40.67635 
1 1 1 5   25 17 o 279.2939 16.02022 18.51429       2.095945  18.18371       2.928468  18.86148       3.001094  275.5039 22.80156 280.5959 22.93733 -5.092041      32.34243 
1 1 1 5   25 18 o 506.8648 13.69342 60.70699       3.264927  53.15102       4.133185  73.24614       5.324435  473.3565 18.56211 555.1951 20.38725 -81.83862      27.57157 
1 1 1 5   25 19 o 103.5049 35.20379 2.435946       2.049501  2.960500       2.864082  1.885452       2.934049  116.5701 41.49125 106.0924 41.14235 10.47776       58.43130 
1 1 1 5   25 20 o 148.8207 34.26960 5.595000       2.349502  5.915577       3.553153  5.345921       3.131958  152.5330 45.82677 145.2773 42.88042 7.255737       62.76005 
1 1 1 5   25 21 o 508.8208 18.68616 61.60353       4.472541  62.58602       5.183239  58.73960       8.849520  511.8983 21.52525 486.2025 39.02184 25.69571       44.56501 
1 1 1 5   25 22 o 79.17483 33.71255 0.1478483      2.203488  1.986306       3.568734  -0.9848676     2.801224  112.6150 44.85553 80.37273 35.98421 32.24227       57.50550 
1 1 1 5   25 23 o 160.7088 52.19925 6.776418       4.516485  4.988110       6.236684  8.748514       6.549326  153.0143 59.80410 180.5629 62.86978 -27.54858      86.77061 
1 1 1 5   25 24 f 112.0870 46.19772 1.615207       3.936537  5.969085       5.790154  -2.126932      5.367993  156.1969 58.45286 106.2065 48.45296 49.99037       75.92382 
1 1 1 5   25 25 o 171.0776 50.37769 8.090439       4.327364  9.875150       6.204665  6.400119       6.038357  184.8230 61.23819 158.2507 59.60001 26.57228       85.45336 
1 1 1 5   27 0  o 411.7063 12.03138 39.95008       2.330087  42.54751       2.737265  33.11534       4.440240  424.7486 13.69984 372.6444 25.48333 52.10413       28.93244 
1 1 1 5   27 1  o 321.2825 11.04324 24.32060       1.668987  24.70102       2.042515  23.55625       2.895221  323.6506 13.41589 314.9973 19.63689 8.653351       23.78221 
1 1 1 5   27 2  o 352.0047 15.49882 29.24428       2.566353  32.01546       6.291434  28.69114       2.810836  363.5117 37.32240 348.5251 17.14479 14.98660       41.07195 
1 1 1 5   27 3  o 468.2787 13.49719 51.71315       2.973152  60.90964       7.595973  50.04932       3.230930  504.1107 32.20042 460.5490 14.91359 43.56165       35.48637 
1 1 1 5   27 4  o 908.9415 29.66899 196.8490       12.68551  196.8490       12.68551  0.000000       0.000000  908.9415 29.66899 ?        ?        0.000000       29.66899 
1 1 1 5   27 5  o 551.6087 21.88358 72.08192       5.678306  66.26041       8.089982  77.73485       7.971992  525.5229 32.89112 570.3351 29.81800 -44.81219      44.39526 
1 1 1 5   27 6  o 671.3960 21.47338 106.7758       6.781854  118.7872       10.35077  97.74078       8.977204  705.3945 31.19401 640.2720 29.80625 65.12250       43.14485 
1 1 1 5   27 7  o 208.0354 44.55040 10.87138       4.228252  24.08740       6.589739  1.622473       5.512682  311.7400 46.34755 132.4475 54.63890 179.2925       71.64848 
1 1 1 5   27 8  o 255.1754 40.44069 16.07243       4.692433  8.822831       6.828341  22.55946       6.459236  191.2519 64.26122 301.1201 47.14790 -109.8682      79.70213 
1 1 1 5   27 9  o 272.8706 38.67537 18.27433       4.825372  23.35910       7.379779  14.47681       6.377603  304.0954 53.54562 237.1323 57.71828 66.96310       78.73077 
1 1 1 5   27 10 f 395.3397 29.35158 37.50035       5.419516  31.00476       7.245680  45.74911       8.165144  354.6369 44.40723 433.2215 40.53807 -78.58463      60.12768 
1 1 1 5   27 11 o 283.6897 37.42971 19.71004       4.872962  21.65577       6.945742  17.82402       6.838331  292.5095 52.40350 263.2641 56.88046 29.24542       77.34025 
1 1 1 5   27 12 o 506.8175 26.55101 61.37165       6.307956  56.15339       8.609364  67.41975       9.268671  480.6267 38.40035 527.2285 37.61916 -46.60175      53.75675 
1 1 1 5   27 13 o 236.0389 45.17117 14.03593       4.832788  12.65755       6.585015  15.64507       7.114887  220.3510 61.29555 244.3021 61.85139 -23.95113      87.07892 
1 1 1 5   27 14 o 177.0200 52.84896 7.943114       4.736525  10.23484       6.653640  5.588585       6.744192  200.0262 63.19304 166.1292 62.88823 33.89696       89.15318 
1 1 1 5   27 15 o 196.2498 50.46498 9.926101       4.684861  6.973841       6.326462  13.51070       6.971144  173.2682 61.66645 226.0245 63.13576 -52.75633      88.25461 
1 1 1 5   27 16 o 349.1224 33.80138 29.71079       5.481626  24.13199       6.930684  39.03092       8.958108  308.1270 49.49176 393.3291 49.51345 -85.20215      70.00726 
1 1 1 5   27 17 o 140.8177 51.68073 4.246624       4.485942  -3.953627      6.008417  14.57491       6.743116  108.7463 50.21499 233.5179 60.79257 -124.7717      78.84974 
1 1 1 5   27 18 o 172.4964 52.27614 7.679491       4.608932  2.828181       6.290377  13.30262       6.772298  143.4947 58.68293 221.9050 62.31508 -78.41025      85.59706 
1 1 1 5   27 19 o 280.2062 39.13822 19.68247       5.017978  13.25208       6.858520  27.08978       7.361089  220.1073 63.02665 323.8549 49.92388 -103.7476      80.40368 
1 1 1 5   27 20 o 325.7905 33.22079 26.17827       5.019938  21.37039       6.931854  31.48038       7.279423  283.6093 53.92986 351.1091 45.11823 -67.49976      70.31418 
1 1 1 5   27 21 o 165.2175 49.02435 7.205906       4.085041  6.979786       5.742427  7.437575       5.812449  166.0025 58.78626 169.8125 59.22177 -3.810013      83.44485 
1 1 1 5   27 22 o 282.8610 53.37896 21.67658       6.842120  21.67658       6.842120  0.000000       0.000000  282.8610 53.37896 ?        ?        0.000000       53.37896 
1 1 1 5   29 0  o 531.2595 12.11568 66.53667       3.027776  68.98740       3.594728  60.55292       5.617019  540.7288 14.13244 505.1668 23.63751 35.56195       27.54012 
1 1 1 5   29 1  o 278.0711 12.52755 18.23174       1.638669  18.22830       2.049825  18.23782       2.727596  277.4005 15.77387 276.6990 21.11515 0.7014160      26.35649 
1 1 1 5   29 2  o 577.9229 13.67880 78.78918       3.718666  74.64329       7.767832  80.02184       4.235556  558.7048 29.66244 582.1863 15.46604 -23.48151      33.45233 
1 1 1 5   29 3  o 162.3937 25.03045 6.406406       1.850647  5.264566       5.411691  6.557622       1.969381  157.2036 56.90422 164.0655 26.41439 -6.861908      62.73604 
1 1 1 5   29 4  o 228.0597 36.72540 12.79284       3.806120  3.912010       5.719535  19.85137       5.099072  149.2180 57.56068 284.5625 39.12817 -135.3445      69.60061 
1 1 1 5   29 5  o 656.1859 21.11204 102.0148       6.516680  116.2604       9.991516  91.46850       8.596879  697.7726 30.44024 619.1971 29.51499 78.57556       42.39980 
1 1 1 5   29 6  o 132.5705 48.33792 3.598395       3.915251  -4.099287      5.537001  11.29608       5.537001  104.1139 48.12113 210.0165 55.28899 -105.9026      73.29745 
1 1 1 5   29 7  o 663.4658 30.56755 105.2021       9.540001  0.000000       0.000000  105.2021       9.540001  ?        ?        663.4658 30.56755 0.000000       30.56755 
1 1 1 5   29 8  o 672.5455 22.66480 107.3596       7.170392  101.6052       10.06586  113.2878       10.21675  650.1847 33.01968 687.9359 31.57153 -37.75122      45.68436 
1 1 1 5   29 9  o 564.6439 24.22184 75.80209       6.433556  75.59454       9.086883  76.01071       9.110004  559.7218 34.68309 561.2692 34.67451 -1.547363      49.04323 
1 1 1 5   29 10 o 298.7631 34.94825 21.75919       4.818774  21.33175       6.833698  22.18193       6.796009  289.8915 52.02477 296.3041 50.57326 -6.412537      72.55502 
1 1 1 5   29 11 o 337.9921 31.00573 27.60996       4.874716  31.56956       6.936206  23.74554       6.852337  357.8169 42.00819 307.0372 49.09795 50.77975       64.61653 
1 1 1 5   29 12 o 704.7933 22.99891 118.1649       7.624972  111.6825       10.49355  125.4162       11.09854  681.2547 32.74490 721.9599 32.68012 -40.70520      46.26250 
1 1 1 5   29 13 o 362.1128 40.79950 32.37218       6.828627  0.000000       0.000000  32.37218       6.828627  ?        ?        362.1128 40.79950 0.000000       40.79950 
1 1 1 5   29 14 o 147.5024 50.17722 5.154441       4.163737  7.725922       6.278946  3.136148       5.562722  178.0671 61.58334 140.7456 56.02024 37.32144       83.25128 
1 1 1 5   29 15 o 395.8217 29.45913 37.89537       5.445878  48.24614       8.171752  29.62545       7.304313  442.1482 39.71317 342.5815 46.52981 99.56671       61.17319 
1 1 1 5   29 16 o 181.2652 49.16631 8.551022       4.298417  6.795482       6.017147  10.38050       6.142552  168.6211 60.12645 197.8707 60.43595 -29.24963      85.25077 
1 1 1 5   29 17 o 226.9062 39.93676 13.03914       4.107064  12.93104       5.653795  13.15993       5.976132  220.1531 54.80736 221.2898 57.04705 -1.136734      79.10886 
1 1 1 5   29 18 o 344.9511 29.59855 29.03506       4.756310  26.14150       6.472615  32.43163       7.012675  320.2793 44.13393 358.1977 42.44462 -37.91840      61.23194 
1 1 1 5   29 19 f 282.3873 36.28122 19.97832       4.707967  25.52616       7.144077  15.71938       6.259425  311.6042 50.46429 240.0812 56.38582 71.52299       75.67037 
1 1 1 5   31 0  o 251.3177 13.57497 14.94859       1.598885  13.97423       1.992778  16.70926       2.678793  242.4367 17.59378 264.5310 21.71919 -22.09435      27.95111 
1 1 1 5   31 1  o 453.8847 11.44094 48.57008       2.442735  52.25922       3.486342  45.01251       3.423612  470.3030 15.75879 436.3599 16.67901 33.94308       22.94622 
1 1 1 5   31 2  o 483.0842 15.48808 55.13095       3.519570  0.000000       0.000000  55.13095       3.519570  ?        ?        483.0842 15.48808 0.000000       15.48808 
1 1 1 5   31 3  o 191.8070 54.86652 9.384662       5.200171  9.384662       5.200171  0.000000       0.000000  191.8070 54.86652 ?        ?        0.000000       54.86652 
1 1 1 5   31 4  o 276.0502 30.14518 18.43431       3.850860  18.79013       5.949510  18.17777       5.051817  273.2419 48.04126 271.0307 40.89648 2.211182       63.09108 
1 1 1 5   31 5  o 284.3688 32.54214 19.64281       4.274712  14.83948       6.330675  23.66825       5.795434  239.3500 57.03719 309.9153 40.74059 -70.56529      70.09306 
1 1 1 5   31 6  o 331.6904 28.54460 26.47718       4.410369  21.14447       6.409638  31.27230       6.077978  289.6865 48.76908 358.2154 36.58334 -68.52893      60.96527 
1 1 1 5   31 7  o 366.7851 27.10900 32.28347       4.644153  30.73722       6.704362  33.70987       6.439302  353.3318 41.10542 371.6208 37.34099 -18.28903      55.53382 
1 1 1 5   31 8  o 290.5225 32.31319 20.52297       4.341179  24.09631       6.417847  17.50892       5.894230  310.5884 45.25745 262.3482 49.57841 48.24020       67.12865 
1 1 1 5   31 9  o 470.0337 36.05252 53.74554       7.910638  53.74554       7.910638  0.000000       0.000000  470.0337 36.05252 ?        ?        0.000000       36.05252 
1 1 1 5   31 10 o 138.3932 48.01886 4.383511       3.819043  4.705709       5.868697  4.146849       5.029732  154.0507 58.58048 144.2799 54.38374 9.770752       79.93287 
1 1 1 5   31 11 o 306.6594 31.26878 22.86814       4.447516  36.20690       6.900942  13.39180       5.816623  383.5573 38.78080 226.0712 55.17984 157.4861       67.44453 
1 1 1 5   31 12 o 269.2369 32.27759 17.74312       4.006454  13.60285       6.175631  20.75208       5.264725  226.5578 57.76940 288.7188 39.82425 -62.16101      70.16605 
1 1 1 5   31 13 o 176.7708 45.43275 8.060299       3.798482  9.512486       5.405668  6.643877       5.338688  190.4138 56.37048 165.0403 56.80210 25.37352       80.02568 
1 1 1 5   31 14 o 108.2709 43.41658 1.627529       3.366664  -6.239596      4.392281  12.83294       5.241987  80.69234 38.88388 220.9708 51.39971 -140.2784      64.45065 
1 1 1 5   31 15 f 125.6534 50.92759 2.228003       4.686183  2.228003       4.686183  0.000000       0.000000  125.6534 50.92759 ?        ?        0.000000       50.92759 
1 1 1 5   33 4  o 256.6328 28.46629 15.96463       3.378573  20.05351       5.496098  13.48098       4.283486  283.3421 42.55038 231.9257 40.74969 51.41638       58.91581 
1 1 1 5   33 5  o 606.2619 20.06845 87.27993       5.723261  100.9513       9.117141  78.38883       7.352434  648.2648 29.89764 572.2358 27.31409 76.02905       40.49603 
1 1 1 5   33 6  o 462.2725 30.04078 51.57551       6.497047  0.000000       0.000000  51.57551       6.497047  ?        ?        462.2725 30.04078 0.000000       30.04078 
1 1 1 5   33 7  o 474.9400 22.32296 53.72509       4.987235  53.41855       7.375126  53.98336       6.769731  468.7663 33.67027 472.5714 30.61802 -3.805023      45.50989 
1 1 1 5   33 8  o 170.2841 43.59549 7.426200       3.507036  12.02438       4.968451  2.860286       4.950990  215.1878 50.03124 133.5187 52.94274 81.66913       72.84270 
1 1 1 5   33 9  o 181.0694 40.85042 8.358811       3.396683  11.02259       4.790616  5.665874       4.816761  205.6634 50.00307 154.6548 53.91261 51.00864       73.53147 
1 1 1 6   0  0  o 568.6409 16.28400 76.27824       4.347726  76.27824       4.347726  76.27824       4.347726  568.6409 16.28400 568.6409 16.28400 0.000000       0.000000 
1 1 1 6   0  1  o 538.3011 17.19957 68.40072       4.345170  68.40072       4.345170  68.40072       4.345170  538.3011 17.19957 538.3011 17.19957 0.000000       0.000000 
1 1 1 6   0  2  o 476.4449 12.78695 53.52257       2.861153  53.52257       2.861153  53.52257       2.861153  476.4449 12.78695 476.4449 12.78695 0.000000       0.000000 
1 1 1 6   0  3  o 2348.778 31.38071 1300.685       34.65767  1300.685       34.65767  1300.685       34.65767  2348.778 31.38071 2348.778 31.38071 0.000000       0.000000 
1 1 1 6   0  4  o 305.1591 16.64361 22.10873       2.372906  22.10873       2.372906  22.10873       2.372906  305.1591 16.64361 305.1591 16.64361 0.000000       0.000000 
1 1 1 6   0  5  o 1602.234 23.04754 604.7809       17.36270  604.7809       17.36270  604.7809       17.36270  1602.234 23.04754 1602.234 23.04754 0.000000       0.000000 
1 1 1 6   0  6  o 817.1531 22.93215 157.5803       8.799201  157.5803       8.799201  157.5803       8.799201  817.1531 22.93215 817.1531 22.93215 0.000000       0.000000 
1 1 1 6   0  7  o 526.3080 16.53003 65.37832       4.083305  65.37832       4.083305  65.37832       4.083305  526.3080 16.53003 526.3080 16.53003 0.000000       0.000000 
1 1 1 6   0  8  o 453.1792 18.21843 48.57168       3.869479  48.57168       3.869479  48.57168       3.869479  453.1792 18.21843 453.1792 18.21843 0.000000       0.000000 
1 1 1 6   0  9  o 848.4086 17.87704 169.6572       7.127457  169.6572       7.127457  169.6572       7.127457  848.4086 17.87704 848.4086 17.87704 0.000000       0.000000 
1 1 1 6   0  10 o 232.5638 47.53978 14.27765       4.598627  14.27765       4.598627  14.27765       4.598627  232.5638 47.53978 232.5638 47.53978 0.000000       0.000000 
1 1 1 6   0  11 o 1239.705 21.14100 362.4960       12.32050  362.4960       12.32050  362.4960       12.32050  1239.705 21.14100 1239.705 21.14100 0.000000       0.000000 
1 1 1 6   0  12 o 1047.253 20.42310 258.7480       10.05240  258.7480       10.05240  258.7480       10.05240  1047.253 20.42310 1047.253 20.42310 0.000000       0.000000 
1 1 1 6   0  13 o 207.0991 45.09184 11.46915       3.849099  11.46915       3.849099  11.46915       3.849099  207.0991 45.09184 207.0991 45.09184 0.000000       0.000000 
1 1 1 6   0  14 o 1540.962 24.64386 559.8322       17.85334  559.8322       17.85334  559.8322       17.85334  1540.962 24.64386 1540.962 24.64386 0.000000       0.000000 
1 1 1 6   0  15 o 320.6956 30.89142 24.90448       4.560849  24.90448       4.560849  24.90448       4.560849  320.6956 30.89142 320.6956 30.89142 0.000000       0.000000 
1 1 1 6   0  16 o 299.1075 33.93062 21.88979       4.615528  21.88979       4.615528  21.88979       4.615528  299.1075 33.93062 299.1075 33.93062 0.000000       0.000000 
1 1 1 6   0  17 o 686.3580 31.10321 111.7123       9.995159  111.7123       9.995159  111.7123       9.995159  686.3580 31.10321 686.3580 31.10321 0.000000       0.000000 
1 1 1 6   0  18 o 754.6067 23.02036 134.4756       8.154290  134.4756       8.154290  134.4756       8.154290  754.6067 23.02036 754.6067 23.02036 0.000000       0.000000 
1 1 1 6   0  19 o 791.8977 23.18207 148.0907       8.618817  148.0907       8.618817  148.0907       8.618817  791.8977 23.18207 791.8977 23.18207 0.000000       0.000000 
1 1 1 6   0  20 o 289.7734 65.98150 22.76754       7.838542  22.76754       7.838542  22.76754       7.838542  289.7734 65.98150 289.7734 65.98150 0.000000       0.000000 
1 1 1 6   0  21 o 664.3348 25.92037 104.5371       8.072227  104.5371       8.072227  104.5371       8.072227  664.3348 25.92037 664.3348 25.92037 0.000000       0.000000 
1 1 1 6   0  23 o 205.7664 85.56649 14.42925       8.259362  14.42925       8.259362  14.42925       8.259362  205.7664 85.56649 205.7664 85.56649 0.000000       0.000000 
1 1 1 6   0  24 o 457.7972 32.57196 50.41664       6.932756  50.41664       6.932756  50.41664       6.932756  457.7972 32.57196 457.7972 32.57196 0.000000       0.000000 
1 1 1 6   0  25 o 395.4567 35.50368 38.07967       6.482098  38.07967       6.482098  38.07967       6.482098  395.4567 35.50368 395.4567 35.50368 0.000000       0.000000 
1 1 1 6   0  26 o 343.2894 60.46589 31.12366       8.859564  31.12366       8.859564  31.12366       8.859564  343.2894 60.46589 343.2894 60.46589 0.000000       0.000000 
1 1 1 6   0  27 o 179.5617 68.05946 10.69673       5.396066  10.69673       5.396066  10.69673       5.396066  179.5617 68.05946 179.5617 68.05946 0.000000       0.000000 
1 1 1 6   0  28 o 292.6204 46.54914 22.23694       5.921732  22.23694       5.921732  22.23694       5.921732  292.6204 46.54914 292.6204 46.54914 0.000000       0.000000 
1 1 1 6   0  29 o 144.6554 79.51804 8.073723       7.811663  8.073723       7.811663  8.073723       7.811663  144.6554 79.51804 144.6554 79.51804 0.000000       0.000000 
1 1 1 6   0  30 o 291.8954 48.43804 22.48746       6.100227  22.48746       6.100227  22.48746       6.100227  291.8954 48.43804 291.8954 48.43804 0.000000       0.000000 
1 1 1 6   0  31 o 119.3445 64.24816 5.397099       4.994077  5.397099       4.994077  5.397099       4.994077  119.3445 64.24816 119.3445 64.24816 0.000000       0.000000 
1 1 1 6   0  32 o 269.1700 47.35233 19.41998       5.441296  19.41998       5.441296  19.41998       5.441296  269.1700 47.35233 269.1700 47.35233 0.000000       0.000000 
1 1 1 6   0  33 o 305.0130 42.64007 24.28251       5.775604  24.28251       5.775604  24.28251       5.775604  305.0130 42.64007 305.0130 42.64007 0.000000       0.000000 
1 1 1 6   0  34 o 111.3546 61.17475 4.910644       4.620106  4.910644       4.620106  4.910644       4.620106  111.3546 61.17475 111.3546 61.17475 0.000000       0.000000 
1 1 1 6   0  35 o 84.96117 55.92793 0.4515458      5.690117  0.4515458      5.690117  0.4515458      5.690117  84.96117 55.92793 84.96117 55.92793 0.000000       0.000000 
1 1 1 6   0  36 o 125.6207 69.94032 7.259216       6.130839  7.259216       6.130839  7.259216       6.130839  125.6207 69.94032 125.6207 69.94032 0.000000       0.000000 
1 1 1 6   2  1  o 126.7805 18.43847 3.864619       1.067405  4.130837       1.262836  3.198573       1.997468  130.7374 21.26507 115.5987 34.27641 15.13873       40.33702 
1 1 1 6   2  2  o 1412.421 16.55978 469.7070       11.00241  467.3151       13.36672  474.7325       19.37494  1408.459 20.17489 1418.401 29.03835 -9.942139      35.35891 
1 1 1 6   2  3  o 1192.071 12.83123 334.4397       7.195145  344.8712       10.46585  325.0905       9.907994  1210.117 18.38561 1174.938 17.92675 35.17908       25.67876 
1 1 1 6   2  4  o 597.4584 10.09494 83.98917       2.837141  84.25541       4.005061  83.72099       4.019624  598.2899 14.23076 596.3864 14.32810 1.903564       20.19428 
1 1 1 6   2  5  o 2007.416 22.55734 949.6175       21.30073  972.7977       26.84616  910.2260       34.99653  2030.692 28.10404 1961.902 37.92088 68.78967       47.19989 
1 1 1 6   2  6  o 1083.449 12.80523 276.2665       6.526273  275.9266       9.227311  276.6068       9.231777  1082.442 18.12179 1083.777 18.10824 -1.334595      25.61851 
1 1 1 6   2  7  o 935.5040 14.31460 206.0094       6.299327  206.1534       11.12164  205.9415       7.643622  935.0178 25.28597 935.1680 17.37562 -0.1502686     30.68049 
1 1 1 6   2  8  o 281.3012 16.26090 18.69551       2.142542  19.61456       3.061312  17.81311       2.999652  287.5511 22.81952 273.8632 23.51256 13.68793       32.76539 
1 1 1 6   2  9  o 950.2427 12.92113 212.5637       5.775696  216.4992       8.310383  208.8867       8.032823  958.5645 18.43022 941.5880 18.13585 16.97644       25.85695 
1 1 1 6   2  10 f 293.5034 17.58220 20.37754       2.416301  21.98693       3.503088  18.91690       3.337270  304.1066 24.70161 281.8272 25.44775 22.27933       35.46488 
1 1 1 6   2  11 f 259.6155 23.95649 16.06779       2.892654  17.29765       3.630544  13.92985       4.786766  268.6147 29.20294 237.5878 44.46442 31.02682       53.19677 
1 1 1 6   2  12 o 893.1758 13.86062 187.9577       5.823566  183.3160       8.115416  192.8853       8.361634  881.3254 19.57515 904.0221 19.66269 -22.69666      27.74541 
1 1 1 6   2  13 o 144.9773 41.98362 5.109242       3.027896  1.764380       3.791441  10.99881       5.031030  116.7870 46.32317 210.1994 51.32616 -93.41232      69.13907 
1 1 1 6   2  14 o 1027.546 17.01083 248.7007       8.222355  254.9941       14.84214  245.9140       9.876403  1038.806 30.37336 1021.430 20.55517 17.37665       36.67500 
1 1 1 6   2  15 o 1478.418 19.91429 514.9557       13.84941  515.4427       16.93299  513.9715       24.07054  1478.498 24.34691 1474.463 34.70425 4.034546       42.39289 
1 1 1 6   2  16 o 1025.872 21.77608 248.0118       10.50854  0.000000       0.000000  248.0118       10.50854  ?        ?        1025.872 21.77608 0.000000       21.77608 
1 1 1 6   2  17 o 1323.260 16.78975 412.3495       10.45102  417.7898       14.98918  407.2026       14.57929  1331.113 23.93831 1314.188 23.58358 16.92578       33.60398 
1 1 1 6   2  18 o 512.8217 17.97394 61.95245       4.335896  61.52439       6.071799  62.39788       6.193787  510.6527 25.27682 514.2440 25.60459 -3.591278      35.97934 
1 1 1 6   2  19 o 672.0726 19.29318 106.4562       6.099432  99.43179       7.341018  122.1165       10.96100  649.1501 24.04041 718.4543 32.43261 -69.30414      40.37097 
1 1 1 6   2  20 o 320.2511 25.42803 24.37373       3.799131  27.89290       5.481843  21.12132       5.269984  341.3405 34.61943 295.7772 38.81398 45.56339       52.00990 
1 1 1 6   2  21 o 551.0018 18.89325 71.60385       4.896989  78.09695       7.190763  65.98803       6.687380  574.6701 26.60034 527.5162 27.04040 47.15393       37.93101 
1 1 1 6   2  22 o 474.8640 20.80511 53.25443       4.647385  52.63548       6.654311  53.84381       6.493430  470.0806 30.25340 475.6768 29.16042 -5.596283      42.01902 
1 1 1 6   2  23 o 282.2659 29.76665 19.14326       3.892772  11.30710       5.360444  27.88705       5.662379  211.5883 53.75084 339.8766 35.96300 -128.2884      64.67217 
1 1 1 6   2  24 o 355.3168 29.80907 30.30252       4.936298  32.26007       6.014683  26.26338       8.639740  365.2157 35.45699 321.1918 59.36988 44.02390       69.15186 
1 1 1 6   2  25 o 137.6887 54.57285 2.889293       5.258478  0.000000       0.000000  2.889293       5.258478  ?        ?        137.6887 54.57285 0.000000       54.57285 
1 1 1 6   2  26 o 136.4193 46.97598 4.294008       3.651613  5.557235       5.199899  3.064921       5.129150  156.4324 55.88218 136.9090 54.01346 19.52339       77.71918 
1 1 1 6   2  27 o 364.8330 25.24291 32.03513       4.305514  31.07429       6.335853  32.85952       5.868771  353.9598 38.68207 365.9789 34.49660 -12.01901      51.82970 
1 1 1 6   2  28 o 188.1443 55.88770 9.484538       5.306777  10.94233       8.205490  8.436386       6.957747  201.2850 70.35516 181.6612 64.66824 19.62375       95.56061 
1 1 1 6   2  29 o 351.8200 26.23355 30.08955       4.310360  28.80715       6.077283  31.38768       6.114427  337.7420 38.96707 353.6695 37.31601 -15.92752      53.95292 
1 1 1 6   2  30 o 371.9719 26.72369 33.77225       4.644850  41.67590       6.894112  27.20225       6.285600  407.3493 36.36065 324.9977 42.10434 82.35156       55.63157 
1 1 1 6   2  31 o 114.3190 46.55244 1.974153       3.937399  -3.398188      4.888976  11.89061       6.642236  95.31374 44.44943 201.5778 63.05998 -106.2640      77.15124 
1 1 1 6   2  32 o 97.85764 42.01907 0.4729026      3.475322  -0.5873666     4.950779  1.502941       4.879688  107.5521 48.01788 118.3236 50.27024 -10.77151      69.51844 
1 1 1 6   2  33 o 132.3922 45.83964 4.601965       3.479388  6.305097       4.945169  2.932269       4.896388  151.1973 54.44480 125.7790 51.64455 25.41828       75.04263 
1 1 1 6   2  34 o 153.3992 46.96089 6.766198       3.706309  5.960167       6.169432  7.221374       4.636165  147.9921 58.96729 156.1779 52.94825 -8.185791      79.25060 
1 1 1 6   2  35 o 119.6775 47.72185 3.427954       4.043543  1.150416       5.492190  6.123663       5.975156  114.4950 50.88183 144.2326 57.83918 -29.73758      77.03461 
1 1 1 6   2  36 o 104.1807 48.15556 -0.5832343     5.546421  -0.5832343     5.546421  0.000000       0.000000  104.1807 48.15556 ?        ?        0.000000       48.15556 
1 1 1 6   4  0  o 579.5526 10.12197 79.03064       2.759480  76.54578       4.944085  80.15496       3.325682  570.1096 18.43564 583.6110 12.11401 -13.50140      22.05951 
1 1 1 6   4  1  o 1325.533 15.84474 413.6521       9.879731  425.3864       17.72680  408.3649       11.89915  1342.834 28.06328 1316.739 19.21086 26.09509       34.00889 
1 1 1 6   4  2  o 926.6961 12.64912 202.1045       5.514004  201.1564       6.634951  204.2212       9.913864  924.3931 15.25849 930.9179 22.63926 -6.524780      27.30124 
1 1 1 6   4  3  o 868.8334 12.53129 177.6512       5.121553  174.1041       6.094532  186.1772       9.448648  860.0030 15.06507 888.8486 22.59813 -28.84558      27.15938 
1 1 1 6   4  4  o 2046.269 19.72428 986.2723       18.98599  988.2951       26.89643  984.2632       26.80431  2046.871 27.93411 2042.700 27.89529 4.171021       39.47736 
1 1 1 6   4  5  o 1424.964 14.93761 477.9857       10.01277  479.5365       14.18930  476.4476       14.13128  1426.668 21.14311 1422.067 21.12477 4.600220       29.88791 
1 1 1 6   4  6  o 825.9402 11.45570 160.5322       4.450814  164.5714       6.424048  156.8035       6.172299  836.0419 16.33471 816.0859 16.07836 19.95599       22.92022 
1 1 1 6   4  7  o 1064.999 12.95414 266.9639       6.489739  261.6557       9.026062  272.6448       9.337620  1053.986 18.20515 1075.870 18.45045 -21.88440      25.92000 
1 1 1 6   4  8  o 955.5579 14.85404 214.9939       6.676840  225.9215       12.32492  210.4547       7.943424  978.3441 26.78078 945.1871 17.86572 33.15704       32.19308 
1 1 1 6   4  9  o 1053.959 19.02378 261.8633       9.431701  271.7598       13.36711  252.0511       13.30995  1072.547 26.49428 1032.765 27.39714 39.78125       38.11234 
1 1 1 6   4  10 o 903.4198 15.37271 192.3409       6.532951  195.3924       11.83177  191.0025       7.835694  908.5605 27.68386 899.8739 18.51086 8.686584       33.30237 
1 1 1 6   4  11 o 284.8006 19.74385 19.23656       2.628771  19.59182       3.781192  18.90421       3.657195  286.1702 28.46673 281.1283 28.02870 5.041840       39.94950 
1 1 1 6   4  12 o 435.8620 18.23148 44.79986       3.738008  41.92895       4.527016  50.95125       6.626578  420.7236 22.96100 462.7315 30.61626 -42.00797      38.26960 
1 1 1 6   4  13 o 1203.929 15.11443 341.3616       8.559766  338.2146       12.07111  344.5446       12.13986  1197.569 21.42779 1208.735 21.35075 -11.16638      30.24905 
1 1 1 6   4  14 o 1073.995 14.81130 271.5649       7.482808  268.8536       10.49767  274.3654       10.66899  1068.096 20.89359 1078.976 21.02046 -10.88000      29.63784 
1 1 1 6   4  15 o 1373.226 19.28226 444.2027       12.45573  450.0595       22.20528  441.5138       15.04570  1380.007 34.20625 1368.577 23.37081 11.43042       41.42780 
1 1 1 6   4  16 o 1370.734 16.76969 442.4317       10.81303  455.8706       15.69749  430.2971       14.91627  1390.557 23.99783 1351.060 23.47019 39.49744       33.56703 
1 1 1 6   4  17 o 917.4578 15.40840 198.1867       6.649868  204.5922       9.622178  192.3302       9.200645  931.6548 21.95579 903.3315 21.65219 28.32336       30.83624 
1 1 1 6   4  18 o 569.3127 17.31678 76.34789       4.637537  82.78146       6.647325  70.24718       6.473080  592.4135 23.85353 545.6319 25.21982 46.78156       34.71354 
1 1 1 6   4  19 o 1287.057 17.16344 390.2757       10.39134  414.3999       15.35327  369.8837       14.11576  1325.051 24.63196 1251.975 23.96842 73.07629       34.36886 
1 1 1 6   4  20 o 649.8510 17.32142 99.52700       5.295009  101.5928       7.511629  97.48669       7.465135  655.9178 24.34532 642.4884 24.70035 13.42938       34.68143 
1 1 1 6   4  21 o 287.9062 29.29821 19.82919       3.912616  14.28876       5.627256  25.01434       5.443850  239.5423 51.47326 322.3915 36.54202 -82.84923      63.12540 
1 1 1 6   4  22 o 618.6196 20.85026 90.40047       6.067426  98.06779       10.62002  86.68510       7.392740  640.7820 35.36965 605.0515 25.97429 35.73053       43.88253 
1 1 1 6   4  23 o 285.3465 30.19918 19.58214       3.991964  20.26803       5.644788  18.89591       5.646191  287.2155 43.11120 276.6254 44.93231 10.59012       62.26948 
1 1 1 6   4  24 o 295.7057 28.99316 21.03741       3.981091  14.88970       5.634615  27.16550       5.625620  242.3837 51.03230 334.4511 36.34251 -92.06743      62.65041 
1 1 1 6   4  25 o 80.67491 37.87094 -3.605661      3.647444  -1.719947      4.859929  -6.037761      5.519281  105.9927 47.43005 96.45866 45.67668 9.534073       65.84808 
1 1 1 6   4  26 o 285.2975 30.10329 19.77639       3.979002  23.07978       5.679516  16.59207       5.576222  304.7165 40.63567 254.7255 48.30457 49.99092       63.12360 
1 1 1 6   4  27 f 144.4800 56.02733 3.991447       5.441007  3.991447       5.441007  0.000000       0.000000  144.4800 56.02733 ?        ?        0.000000       56.02733 
1 1 1 6   4  28 o 114.1826 45.75930 1.953803       3.737302  -3.809604      5.176840  8.227058       5.400968  98.68798 45.92799 176.6453 57.05494 -77.95736      73.24374 
1 1 1 6   4  29 o 227.0766 36.26264 13.05440       3.743162  8.880672       5.183191  17.60381       5.411444  180.9407 55.55841 259.4011 46.03372 -78.46039      72.15151 
1 1 1 6   4  30 o 391.4887 24.96919 37.23133       4.574282  39.61022       6.494442  34.88933       6.443877  397.8596 35.05938 371.7445 37.35515 26.11505       51.23054 
1 1 1 6   4  31 o 436.4866 23.36887 46.21914       4.780790  41.45418       6.617988  51.41963       6.913828  405.7002 35.02105 454.0629 32.58599 -48.36270      47.83640 
1 1 1 6   4  32 o 157.7905 44.23568 6.772169       3.415685  4.201787       4.660912  9.753956       5.020076  135.1845 52.01340 184.4158 54.24741 -49.23126      75.15434 
1 1 1 6   4  33 f 104.9729 47.00819 -0.4778259     4.783202  0.000000       0.000000  -0.4778259     4.783202  ?        ?        104.9729 47.00819 0.000000       47.00819 
1 1 1 6   4  34 o 114.2889 48.38472 1.950134       4.494601  5.172414       6.055731  -2.002081      6.706642  142.3478 57.82296 112.8361 52.43328 29.51176       78.05602 
1 1 1 6   4  35 o 115.7650 44.44769 3.354252       3.399050  3.980381       5.515209  2.970770       4.316212  129.4000 54.11935 117.4166 48.38198 11.98338       72.59283 
1 1 1 6   4  36 o 142.8132 57.61664 6.843045       5.968320  6.843045       5.968320  0.000000       0.000000  142.8132 57.61664 ?        ?        0.000000       57.61664 
1 1 1 6   6  0  o 1078.263 13.38892 273.6395       6.791087  288.6148       12.82316  267.8021       8.005994  1106.493 24.63640 1066.550 15.95750 39.94275       29.35292 
1 1 1 6   6  1  o 613.8638 10.93019 88.66996       3.156234  89.53627       5.835246  88.31169       3.752541  616.5278 20.12043 612.5652 13.02278 3.962524       23.96715 
1 1 1 6   6  2  f 619.6060 14.76592 90.37018       4.303733  92.77646       6.162830  88.07968       6.012741  627.5451 20.87690 611.4529 20.90452 16.09222       29.54393 
1 1 1 6   6  3  o 1102.068 18.03126 286.0178       9.347679  283.9774       13.13837  288.1094       13.30238  1097.458 25.44980 1105.399 25.58238 -7.941284      36.08532 
1 1 1 6   6  4  o 254.6816 18.23931 15.35382       2.170653  15.35382       2.170653  0.000000       0.000000  254.6816 18.23931 ?        ?        0.000000       18.23931 
1 1 1 6   6  5  o 483.4533 10.67716 54.99893       2.428172  61.89156       3.564472  49.03088       3.316798  512.7420 14.77839 456.3517 15.45077 56.39029       21.38052 
1 1 1 6   6  6  o 589.5974 10.99356 81.80706       3.049042  82.29661       4.336885  81.32860       4.287530  591.1934 15.59477 587.7098 15.50868 3.483582       21.99355 
1 1 1 6   6  7  o 575.3114 11.38811 77.90150       3.081938  86.88306       4.564621  70.37688       4.178028  607.3683 15.97656 546.6250 16.24847 60.74335       22.78735 
1 1 1 6   6  8  o 1085.842 15.19620 277.7461       7.761950  296.2248       13.75506  269.1128       9.401912  1119.682 26.11551 1068.404 18.70730 51.27771       32.12450 
1 1 1 6   6  9  f 793.3685 12.40201 148.2346       4.628459  144.7660       6.464597  151.8826       6.629788  783.5264 17.53955 802.5517 17.56133 -19.02527      24.82007 
1 1 1 6   6  10 o 445.6926 13.98871 46.80231       2.932799  49.28832       4.227539  44.49582       4.072039  456.9881 19.66588 434.1819 19.93751 22.80618       28.00449 
1 1 1 6   6  11 o 1520.512 19.20000 545.3240       13.73285  556.7530       17.30150  525.8621       22.57724  1535.149 23.95873 1489.295 32.22708 45.85474       40.15726 
1 1 1 6   6  12 o 883.5370 13.71053 183.8073       5.698341  190.4796       8.302032  177.8638       7.835528  898.9153 19.63344 868.6821 19.17512 30.23328       27.44371 
1 1 1 6   6  13 o 580.7889 14.52057 79.41245       3.967083  79.54374       5.691122  79.28838       5.532832  580.9774 20.82425 580.0735 20.27660 0.9038696      29.06527 
1 1 1 6   6  14 f 1437.685 16.77085 486.6924       11.34196  475.5589       15.79947  498.5306       16.29176  1420.357 23.64698 1454.234 23.81575 -33.87708      33.56143 
1 1 1 6   6  15 o 811.1650 16.46356 154.9254       6.282064  160.5529       10.68719  151.9543       7.765247  824.9732 27.53940 803.1096 20.55470 21.86365       34.36444 
1 1 1 6   6  16 o 701.5197 15.27846 115.8639       5.041838  117.8067       7.209589  114.0042       7.053445  707.0236 21.67741 695.5270 21.55847 11.49664       30.57250 
1 1 1 6   6  17 f 433.6571 19.09994 44.30749       3.896259  48.84397       5.581931  39.99710       5.441053  454.2209 26.23621 410.6348 28.34162 43.58609       38.62106 
1 1 1 6   6  18 o 586.1734 19.37781 80.97620       5.343184  94.48539       7.075630  63.04995       8.150709  632.8660 23.76753 515.0994 33.82638 117.7665       41.34150 
1 1 1 6   6  19 o 693.8149 19.36734 113.4806       6.320957  112.2782       7.616336  116.1415       11.33030  689.7593 23.47357 700.1780 34.40040 -10.41870      41.64608 
1 1 1 6   6  20 o 619.4621 17.53679 90.45444       5.110156  101.0665       7.550632  81.48567       6.941444  654.0996 24.53975 587.2668 25.12725 66.83276       35.12233 
1 1 1 6   6  21 o 709.5359 19.43632 118.8015       6.487206  108.8288       10.46375  125.0278       8.267896  677.0331 32.85552 727.2372 24.16849 -50.20416      40.78727 
1 1 1 6   6  22 o 609.9043 22.03638 87.95844       6.322245  92.59811       11.98925  86.17133       7.440886  620.3533 41.32143 603.0085 26.23203 17.34479       48.94466 
1 1 1 6   6  23 o 737.0715 17.61351 128.3330       6.106956  131.3879       8.951281  125.6730       8.352823  744.0135 25.57614 727.9509 24.39281 16.06268       35.34329 
1 1 1 6   6  24 o 475.8728 24.75123 53.97492       5.521480  55.96605       6.937853  50.53508       9.118941  482.9000 30.70154 454.3151 43.18908 28.58496       52.98944 
1 1 1 6   6  25 o 344.7759 30.80577 28.74257       4.943566  26.36513       5.950906  34.03687       8.880397  327.2372 39.45481 366.3560 53.07592 -39.11887      66.13422 
1 1 1 6   6  26 o 426.5689 22.78405 43.50196       4.555282  47.89744       6.625638  39.56180       6.273092  444.2825 31.91558 402.9783 33.39348 41.30420       46.19231 
1 1 1 6   6  27 o 238.8569 39.36338 14.39243       4.268724  11.59631       7.390076  15.79252       5.229362  206.8262 66.73268 247.3417 46.65588 -40.51555      81.42494 
1 1 1 6   6  28 o 401.9886 28.19299 39.31246       5.297458  36.05827       9.503386  40.77946       6.380750  367.1779 56.85953 406.6303 33.66088 -39.45245      66.07618 
1 1 1 6   6  29 o 230.4973 36.33355 13.45678       3.809048  13.52715       5.340882  13.38394       5.433938  223.6486 51.78684 221.9106 52.81811 1.737961       73.97047 
1 1 1 6   6  30 o 214.6436 39.79383 11.93866       3.869984  13.27691       5.528306  10.65268       5.419289  219.0797 53.99144 195.3588 56.04952 23.72092       77.82432 
1 1 1 6   6  31 o 251.0602 42.23784 16.55833       4.811155  11.88202       5.665193  28.65636       9.112144  203.8140 56.90981 313.0695 64.03357 -109.2555      85.66811 
1 1 1 6   6  32 o 140.5446 46.73877 5.250776       3.613118  4.192188       4.897593  6.514930       5.352036  136.0294 53.04306 155.4753 56.54200 -19.44588      77.52783 
1 1 1 6   6  33 o 309.3994 30.03667 24.19807       4.316515  17.06302       7.148832  28.29195       5.415068  231.8152 63.62689 330.4530 35.38586 -98.63782      72.80481 
1 1 1 6   6  34 o 213.5828 40.41912 12.53755       3.912177  8.079668       6.308369  15.32347       4.986980  160.8455 60.83816 230.5414 47.56376 -69.69597      77.22430 
1 1 1 6   6  35 o 80.71804 37.97943 -2.510442      3.704959  3.204519       5.662109  -6.789537      4.899454  124.9422 53.64089 79.83446 39.05879 45.10774       66.35461 
1 1 1 6   8  0  o 1586.607 18.03327 592.8981       13.45901  601.9620       24.18962  588.8340       16.19778  1596.267 32.21472 1580.657 21.78455 15.60986       38.88900 
1 1 1 6   8  1  o 593.0016 10.51718 82.74799       2.933759  81.71820       5.889352  83.08788       3.383442  588.8687 21.26081 594.1724 12.10534 -5.303711      24.46551 
1 1 1 6   8  2  o 1162.280 17.87584 318.1807       9.773415  0.000000       0.000000  318.1807       9.773415  ?        ?        1162.280 17.87584 0.000000       17.87584 
1 1 1 6   8  3  o 763.9707 14.59108 137.4101       5.243646  144.2628       8.448003  133.1154       6.687889  782.2234 22.95905 751.6866 18.91398 30.53680       29.74654 
1 1 1 6   8  4  f 526.0591 11.88105 65.13560       2.940077  65.05785       3.395377  65.36861       5.877719  525.6822 13.73079 526.4379 23.73517 -0.7557373     27.42066 
1 1 1 6   8  5  o 1419.413 17.41526 474.6930       11.62808  487.4882       14.42505  450.9513       19.64948  1437.790 21.32812 1381.041 30.24650 56.74902       37.00999 
1 1 1 6   8  6  o 975.4365 12.13588 224.0141       5.568516  228.1726       7.998047  220.1019       7.757599  983.9393 17.28011 966.4056 17.06470 17.53369       24.28592 
1 1 1 6   8  7  o 642.7031 12.59708 97.27834       3.808462  105.2022       6.354886  92.83748       4.757443  667.6921 20.23309 627.6063 16.11451 40.08582       25.86610 
1 1 1 6   8  8  o 410.2256 13.34867 39.64165       2.575906  42.74996       3.748229  36.85980       3.545944  425.6894 18.71820 395.2542 19.07155 30.43521       26.72256 
1 1 1 6   8  9  o 262.4639 23.57258 16.40338       2.879321  13.92687       6.031051  17.13448       3.276881  235.9090 55.30837 267.9002 26.34333 -31.99113      61.26163 
1 1 1 6   8  10 o 739.7626 12.89869 128.8547       4.488563  125.9211       6.222900  132.0362       6.480507  730.9052 18.09933 748.4144 18.40762 -17.50928      25.81523 
1 1 1 6   8  11 o 325.2655 18.39029 25.00533       2.802290  29.78085       4.069142  20.69735       3.864820  354.4566 24.55584 294.7215 28.22223 59.73514       37.40967 
1 1 1 6   8  12 o 1103.421 14.54924 286.6187       7.551806  282.5140       10.57307  290.8935       10.78997  1095.014 20.52637 1111.123 20.64375 -16.10950      29.11179 
1 1 1 6   8  13 o 1267.566 18.30245 378.3868       10.91313  383.2097       13.33562  368.6088       18.98830  1275.232 22.23079 1249.393 32.30856 25.83826       39.21800 
1 1 1 6   8  14 o 1151.255 17.40470 312.0926       9.425568  310.3448       15.71296  313.0750       11.78041  1146.838 29.12639 1152.695 21.72584 -5.857544      36.33674 
1 1 1 6   8  15 o 760.2422 14.75711 136.0597       5.277433  140.4364       7.614574  132.0140       7.320919  772.0239 20.96745 748.5267 20.79165 23.49719       29.52840 
1 1 1 6   8  16 o 1005.004 15.54966 237.8200       7.351196  237.2766       10.61991  238.3198       10.18598  1003.258 22.50293 1005.557 21.53411 -2.299438      31.14642 
1 1 1 6   8  17 o 1024.136 17.80330 247.0872       8.576845  245.5706       10.69413  249.8217       14.35924  1020.527 22.27675 1028.325 29.68464 -7.797852      37.11377 
1 1 1 6   8  18 o 979.8354 15.83141 226.1374       7.296963  225.5994       10.27300  226.6852       10.36656  977.9716 22.33067 980.3032 22.48045 -2.331665      31.68642 
1 1 1 6   8  19 f 582.6923 17.34393 80.01918       4.753966  79.66653       6.803221  80.35571       6.645790  580.7859 24.90171 583.3582 24.21821 -2.572205      34.73639 
1 1 1 6   8  20 o 178.4944 48.79482 7.881975       4.214297  7.812530       5.065831  8.038051       7.594476  179.6278 54.88766 192.0128 67.64679 -12.38499      87.11340 
1 1 1 6   8  21 o 1104.598 17.10419 287.8138       8.887428  307.6389       13.21940  271.4623       12.00555  1140.226 24.64628 1071.299 23.82329 68.92651       34.27811 
1 1 1 6   8  22 o 213.0318 38.05231 11.17832       3.673325  11.44649       5.281670  10.92708       5.112206  212.8140 52.96892 208.0330 52.29751 4.781006       74.43612 
1 1 1 6   8  23 o 679.1910 20.34712 109.2043       6.500761  112.7704       8.395369  103.8645       10.27324  688.8091 25.91025 658.0206 33.29771 30.78851       42.19098 
1 1 1 6   8  24 o 145.2527 46.21488 5.113638       3.553800  6.397444       5.000370  3.803346       5.051688  163.7529 54.99125 142.6527 54.32518 21.10023       77.29982 
1 1 1 6   8  25 o 384.1534 23.46267 35.28545       4.219531  37.09650       6.008708  33.52345       5.926770  390.8781 32.98731 370.9561 34.35459 19.92200       47.62773 
1 1 1 6   8  26 o 243.4834 40.88942 14.94367       4.517260  13.31272       5.416074  18.67123       8.187991  225.3351 52.13147 261.0134 66.49943 -35.67824      84.49772 
1 1 1 6   8  27 o 111.5162 44.26203 1.931986       3.463686  3.232252       4.961558  0.6958905      4.837578  134.8799 53.15207 117.0525 49.89891 17.82743       72.90434 
1 1 1 6   8  28 o 482.1366 21.22936 55.63031       4.814779  48.33648       6.522917  64.36125       7.136651  443.9109 31.44093 513.6411 29.66319 -69.73010      43.22542 
1 1 1 6   8  29 o 300.6267 32.65947 22.45506       4.544259  15.87626       5.748783  33.41261       7.419237  242.4668 51.96542 359.6044 44.83344 -117.1376      68.63266 
1 1 1 6   8  30 o 104.4891 43.44843 1.162619       3.525591  0.5293041      4.823062  1.889343       5.166516  113.8097 49.18737 124.9247 52.32526 -11.11498      71.81456 
1 1 1 6   8  31 o 115.6765 44.86533 2.666262       3.489455  1.138590       4.882591  4.261113       4.988792  116.8407 49.97747 138.3562 53.64968 -21.51541      73.32146 
1 1 1 6   8  32 o 162.3583 48.83821 7.373462       4.033666  3.561237       7.034100  9.241280       4.923642  142.8254 60.50114 178.7758 53.99841 -35.95045      81.09388 
1 1 1 6   8  33 o 124.8333 45.79645 3.922196       3.522082  1.222354       5.372001  5.957754       4.664538  117.8925 51.42415 146.3834 52.85433 -28.49083      73.74296 
1 1 1 6   8  34 o 155.3552 60.21898 7.449466       6.283530  0.000000       0.000000  7.449466       6.283530  ?        ?        155.3552 60.21898 0.000000       60.21898 
1 1 1 6   8  35 o 89.77248 40.56949 -0.4491235     3.655312  -7.737813      5.200515  6.667658       5.138821  80.11346 39.40704 144.9997 54.89403 -64.88622      67.57417 
1 1 1 6   10 0  o 864.8491 10.18899 176.0489       4.145155  173.4431       5.767492  178.8331       5.961596  858.1255 14.28785 871.3348 14.54481 -13.20935      20.38858 
1 1 1 6   10 1  o 114.5101 18.05264 3.166221       0.9402097 -2.852854      3.039133  3.803267       0.9887135 75.21413 35.06578 125.8790 17.14324 -50.66487      39.03204 
1 1 1 6   10 2  o 923.0197 15.11244 200.7224       6.561679  188.1391       9.866469  210.7016       8.786389  892.5505 23.49956 945.1188 19.76308 -52.56824      30.70519 
1 1 1 6   10 3  o 1191.958 12.97081 334.6026       7.272730  316.8847       14.63746  340.4103       8.380342  1157.479 26.88334 1202.018 14.82114 -44.53833      30.69821 
1 1 1 6   10 4  o 573.8397 12.59794 77.54995       3.400630  85.99882       6.956580  74.89706       3.898127  603.2067 24.51660 563.8077 14.69791 39.39899       28.58483 
1 1 1 6   10 5  o 1217.991 15.87069 349.6490       9.093047  351.2954       10.96168  346.0167       16.28231  1220.287 19.09615 1208.816 28.63430 11.47156       34.41782 
1 1 1 6   10 6  o 1878.577 21.76559 833.1520       19.23397  833.5328       23.32426  832.3425       34.00228  1877.349 26.41152 1870.151 38.65111 7.197876       46.81321 
1 1 1 6   10 7  o 953.4788 12.44621 214.0620       5.582355  213.6046       7.787616  214.5455       8.006207  951.9606 17.39067 954.0012 17.84056 -2.040527      24.91427 
1 1 1 6   10 8  o 532.7512 12.13958 66.81417       3.042266  66.21199       4.216482  67.46808       4.393824  530.1269 16.90835 535.1019 17.45568 -4.974976      24.30212 
1 1 1 6   10 9  o 373.4666 16.16582 32.84594       2.840003  37.84186       4.417146  29.32536       3.708018  399.8930 23.58607 351.9656 22.51405 47.92740       32.60652 
1 1 1 6   10 10 o 996.8456 19.20821 234.0701       9.007082  227.1106       13.62178  239.4768       12.00646  980.9144 29.52115 1007.736 25.32790 -26.82111      38.89731 
1 1 1 6   10 11 o 317.3491 18.20649 23.79406       2.706526  27.26749       3.892608  20.54332       3.765755  339.2291 24.55991 293.8456 27.56574 45.38348       36.91963 
1 1 1 6   10 12 o 752.6516 13.56580 133.3262       4.802957  138.5820       6.941536  128.4991       6.652493  767.0854 19.23723 738.6577 19.14573 28.42773       27.14093 
1 1 1 6   10 13 o 766.5839 14.04690 138.3177       5.065349  133.3270       7.113676  143.4506       7.214357  752.3380 20.10073 780.4039 19.65209 -28.06598      28.11128 
1 1 1 6   10 14 o 1080.235 17.86106 274.8114       9.076010  274.2293       10.89705  276.1297       16.39915  1078.782 21.47367 1081.255 32.24216 -2.472656      38.73855 
1 1 1 6   10 15 o 750.4345 14.95132 132.5853       5.277905  138.8534       7.711973  127.0630       7.238659  767.5728 21.35879 734.2894 20.95664 33.28339       29.92287 
1 1 1 6   10 16 o 1343.370 16.77917 425.0458       10.60317  433.8440       15.21951  416.7480       14.78041  1356.239 23.85587 1329.282 23.63742 26.95642       33.58318 
1 1 1 6   10 17 f 920.6822 18.61434 199.7570       8.061703  175.7729       14.08248  211.4483       9.832179  861.5703 34.74715 946.8688 22.07449 -85.29852      41.16610 
1 1 1 6   10 18 o 445.8581 19.09185 46.86620       4.004184  41.68274       5.529967  52.57932       5.805628  418.9597 28.22399 471.0279 26.30704 -52.06824      38.58308 
1 1 1 6   10 19 o 658.2198 16.50049 102.1157       5.109015  107.6895       7.396151  97.02886       7.065653  675.2440 23.28497 640.9332 23.43529 34.31079       33.03638 
1 1 1 6   10 20 o 298.3475 26.66329 21.24077       3.702589  21.88621       5.363192  20.65302       5.117918  300.5211 38.84777 291.9456 38.18163 8.575531       54.47005 
1 1 1 6   10 21 o 1031.066 16.74173 250.8686       8.119999  274.7948       12.27446  232.2496       10.82792  1077.174 24.22408 990.5544 23.23792 86.61969       33.56795 
1 1 1 6   10 22 o 379.7690 22.95254 34.30528       4.081071  42.06343       6.139347  28.16293       5.462737  418.7569 31.39521 341.4278 34.48541 77.32913       46.63585 
1 1 1 6   10 23 o 252.5230 31.48162 15.48606       3.658400  20.45661       5.302850  10.97169       5.053657  288.2527 40.20241 207.1185 51.95841 81.13422       65.69559 
1 1 1 6   10 24 o 181.8287 40.88068 8.355131       3.411684  8.304291       4.963212  8.400672       4.697450  180.6080 54.13939 181.2840 52.23344 -0.6760101     75.22903 
1 1 1 6   10 25 o 727.0460 17.51660 125.3227       5.990747  137.2392       8.867286  115.3163       8.125608  757.7702 24.87619 694.6180 24.86798 63.15222       35.17444 
1 1 1 6   10 26 o 249.0982 33.37746 15.33450       3.812699  19.34080       5.604698  11.88353       5.201762  275.4385 44.79665 212.0057 52.44799 63.43285       68.97487 
1 1 1 6   10 27 o 358.6993 25.04299 31.07942       4.199062  26.95776       5.857822  35.43584       6.022335  327.9888 38.71334 378.9967 34.14671 -51.00793      51.62094 
1 1 1 6   10 28 o 215.1912 42.50478 12.00408       4.149973  16.40998       5.488723  6.123663       6.340999  249.3990 48.53158 161.9040 61.05396 87.49500       77.99295 
1 1 1 6   10 29 o 261.9684 32.32477 17.10318       3.898912  8.528728       5.413046  26.34778       5.620598  177.1020 57.10995 322.9063 37.71346 -145.8043      68.43867 
1 1 1 6   10 30 o 172.6558 44.04461 7.972040       3.588687  5.673323       5.062691  10.29356       5.087741  150.7432 54.96621 192.0508 54.03991 -41.30756      77.08175 
1 1 1 6   10 31 o 339.3685 57.69373 32.75863       8.880534  0.000000       0.000000  32.75863       8.880534  ?        ?        339.3685 57.69373 0.000000       57.69373 
1 1 1 6   10 32 o 112.9798 50.92514 -0.6584424     5.716416  -0.6584424     5.716416  0.000000       0.000000  112.9798 50.92514 ?        ?        0.000000       50.92514 
1 1 1 6   10 33 o 68.74055 33.23172 -4.414349      3.271925  -4.732462      5.279588  -4.215989      4.169044  91.75452 43.79576 81.27248 38.82729 10.48205       58.52886 
1 1 1 6   10 34 o 142.3525 47.64545 5.954472       3.753561  12.42866       5.525970  0.4084424      5.114546  195.8351 56.71868 108.6540 48.63625 87.18111       74.71609 
1 1 1 6   12 0  o 842.7277 10.26471 167.1592       4.069147  173.8400       5.866126  160.9632       5.649283  859.0903 14.51588 826.6595 14.52772 32.43079       20.53692 
1 1 1 6   12 1  o 1386.125 20.10126 453.1425       13.10675  464.6255       19.94295  444.4114       17.38974  1401.152 30.25762 1371.208 26.96004 29.94458       40.52613 
1 1 1 6   12 2  o 502.2596 9.699761 59.36921       2.291704  66.05980       3.959034  55.99767       2.810421  529.5327 15.89378 487.7010 12.25035 41.83170       20.06697 
1 1 1 6   12 3  o 1167.309 12.78959 320.8094       7.022825  295.0060       14.31448  328.9891       8.059434  1117.400 27.23313 1181.928 14.49587 -64.52759      30.85083 
1 1 1 6   12 4  o 290.3185 10.96513 19.83715       1.497468  22.76457       5.044258  19.55423       1.568163  308.0404 35.45834 288.2299 11.56599 19.81049       37.29700 
1 1 1 6   12 5  o 533.9185 13.16158 67.10545       3.305614  63.31749       6.904181  68.23204       3.765226  517.0449 28.49671 538.3185 14.86902 -21.27368      32.14265 
1 1 1 6   12 6  o 1665.453 19.25753 653.4236       15.08698  666.1713       25.73315  646.7469       18.62351  1679.138 32.57896 1656.211 23.90433 22.92688       40.40799 
1 1 1 6   12 7  o 1579.073 19.26848 587.3118       14.31261  583.8721       17.08010  595.4222       26.22719  1573.951 23.06907 1587.288 35.12584 -13.33691      42.02388 
1 1 1 6   12 8  o 1600.439 16.79554 603.0552       12.64453  612.8992       18.11287  593.6975       17.65986  1612.617 23.87739 1587.185 23.65323 25.43188       33.60960 
1 1 1 6   12 9  o 853.8204 13.82077 171.5763       5.550960  171.9365       6.981649  170.9572       9.152353  854.5543 17.36797 851.7955 22.84168 2.758728       28.69475 
1 1 1 6   12 10 o 1135.810 14.07243 303.6296       7.518722  303.8149       10.55424  303.4387       10.71371  1135.784 19.75430 1135.057 20.06564 0.7272949      28.15781 
1 1 1 6   12 11 o 2178.418 25.32999 1118.675       25.95647  1187.574       48.85487  1091.578       30.63847  2238.554 46.39498 2150.830 30.28250 87.72388       55.40329 
1 1 1 6   12 12 o 1129.064 14.72579 300.0764       7.821070  296.8214       10.95998  303.4537       11.16418  1122.470 20.75704 1134.927 20.91170 -12.45728      29.46445 
1 1 1 6   12 13 o 1189.036 15.18035 332.8427       8.490749  336.5592       12.15028  329.2956       11.87008  1195.077 21.61331 1182.138 21.34598 12.93872       30.37739 
1 1 1 6   12 14 o 286.1385 22.78646 19.42375       3.041641  15.79582       4.269235  23.16358       4.334569  255.8549 36.50739 311.7783 29.92254 -55.92332      47.20326 
1 1 1 6   12 15 o 963.2202 15.12824 218.4677       6.854621  215.0321       9.603419  222.0358       9.786983  955.0728 21.37569 970.4952 21.43809 -15.42242      30.27395 
1 1 1 6   12 16 o 477.8247 19.41116 53.81471       4.363041  55.64804       6.821528  52.54551       5.675804  484.2538 30.09495 471.0850 25.71009 13.16879       39.58175 
1 1 1 6   12 17 o 283.3913 27.54892 19.15933       3.626070  16.89772       4.601963  22.86267       5.888847  264.1413 38.14217 307.3013 41.82419 -43.16000      56.60466 
1 1 1 6   12 18 f 619.6472 20.03303 90.58955       5.839293  92.21166       11.56417  90.03442       6.765094  621.1133 39.78910 617.4085 23.29335 3.704773       46.10588 
1 1 1 6   12 19 o 208.0000 38.16228 10.62835       3.596336  5.567777       5.645362  14.08473       4.665545  162.7036 58.21558 239.1510 43.05598 -76.44748      72.40768 
1 1 1 6   12 20 o 488.7232 18.87403 56.41072       4.339071  56.49300       6.292587  56.33612       5.991243  487.1834 27.57100 486.7692 26.26241 0.4142151      38.07722 
1 1 1 6   12 21 o 457.1682 23.88584 49.68872       5.118886  50.74625       6.134884  47.26517       9.287236  461.0046 28.42861 439.6874 45.56416 21.31717       53.70548 
1 1 1 6   12 22 o 476.8713 21.76981 53.92189       4.883432  58.49978       6.304859  47.05708       7.720697  494.8672 27.18852 440.4791 37.62249 54.38809       46.41839 
1 1 1 6   12 23 o 431.6794 20.60132 44.21264       4.183364  45.99591       5.981493  42.50520       5.852940  437.4570 29.23566 420.2815 29.79813 17.17548       41.74509 
1 1 1 6   12 24 o 344.3701 28.94328 28.65516       4.645110  22.31570       8.406317  31.44167       5.573258  289.3418 63.50500 359.3191 33.35347 -69.97729      71.73103 
1 1 1 6   12 25 o 228.6183 37.88352 13.09863       3.931437  14.84245       6.348502  12.01389       5.007065  235.7767 57.70787 214.3159 50.49536 21.46083       76.68103 
1 1 1 6   12 26 o 166.9886 48.51968 7.258325       4.038013  16.55470       8.148183  4.231961       4.649054  242.6202 68.43027 140.4662 52.41437 102.1539       86.19726 
1 1 1 6   12 27 o 227.5184 41.67081 13.28680       4.295472  16.00777       5.053640  6.203925       8.153558  248.7469 44.83886 171.3937 67.94752 77.35324       81.40878 
1 1 1 6   12 28 o 86.22474 39.06364 -1.508210      3.413501  -5.718683      4.772315  2.902505       4.884478  86.48872 41.38031 130.6200 52.32488 -44.13129      66.71000 
1 1 1 6   12 29 o 345.2494 25.09626 28.99195       4.047907  35.08273       5.937562  23.70284       5.533032  374.9767 34.03227 304.6213 39.54597 70.35538       52.17355 
1 1 1 6   12 30 o 228.3118 49.00286 14.21589       5.105373  0.000000       0.000000  14.21589       5.105373  ?        ?        228.3118 49.00286 0.000000       49.00286 
1 1 1 6   12 31 o 178.5026 43.66930 8.675165       3.636695  13.26992       6.125619  6.174177       4.519337  211.1724 59.25261 151.0512 52.24613 60.12123       78.99702 
1 1 1 6   12 32 o 236.1402 36.29213 14.62572       3.902338  6.991677       6.305278  19.36527       4.968159  157.7084 60.54068 269.0981 40.50318 -111.3897      72.84011 
1 1 1 6   12 33 o 139.4167 55.21325 5.136743       5.378604  5.136743       5.378604  0.000000       0.000000  139.4167 55.21325 ?        ?        0.000000       55.21325 
1 1 1 6   12 34 o 152.3494 47.08690 7.006992       3.716110  3.415577       5.411876  10.21106       5.111706  125.1459 53.04320 176.4590 55.33888 -51.31301      76.65489 
1 1 1 6   14 0  o 727.8470 14.40946 124.6915       4.933523  0.000000       0.000000  124.6915       4.933523  ?        ?        727.8470 14.40946 0.000000       14.40946 
1 1 1 6   14 1  o 411.1979 12.58175 39.79054       2.433668  36.44471       5.268965  40.69792       2.743897  392.0291 28.77279 415.8321 14.02750 -23.80301      32.01007 
1 1 1 6   14 2  o 855.4370 10.89653 172.1835       4.384758  191.2326       6.949655  159.5856       5.651639  901.2849 16.39200 823.4161 14.59102 77.86884       21.94528 
1 1 1 6   14 3  o 1965.583 19.04506 909.8089       17.60934  925.9811       37.26585  905.1598       19.98080  1978.867 40.03363 1960.203 21.66918 18.66418       45.52192 
1 1 1 6   14 4  o 410.6592 9.203562 39.67553       1.777898  41.31986       6.075613  39.52154       1.859286  417.3253 31.17405 409.8559 9.643744 7.469391       32.63162 
1 1 1 6   14 5  o 427.4426 10.16976 42.98721       2.044834  0.000000       0.000000  42.98721       2.044834  ?        ?        427.4426 10.16976 0.000000       10.16976 
1 1 1 6   14 6  o 1184.425 13.60546 330.1505       7.580365  343.9358       17.44868  326.9434       8.416065  1207.436 30.72056 1178.573 15.18040 28.86279       34.26656 
1 1 1 6   14 7  o 2006.266 19.84293 947.9086       18.72680  987.6127       27.64947  914.2596       25.45394  2046.434 28.72234 1969.191 27.47881 77.24280       39.74994 
1 1 1 6   14 8  o 1538.526 22.80622 557.6963       16.50545  557.6963       16.50545  0.000000       0.000000  1538.526 22.80622 ?        ?        0.000000       22.80622 
1 1 1 6   14 9  o 685.7194 11.83734 110.6482       3.818298  113.6832       5.341310  107.4763       5.460440  694.9065 16.34000 675.6368 17.18086 19.26971       23.71029 
1 1 1 6   14 10 o 1328.339 15.17003 415.3621       9.479050  415.0305       13.38502  415.6958       13.42587  1327.245 21.43870 1328.304 21.48700 -1.058350      30.35308 
1 1 1 6   14 11 o 745.6588 18.22017 130.9456       6.390896  0.000000       0.000000  130.9456       6.390896  ?        ?        745.6588 18.22017 0.000000       18.22017 
1 1 1 6   14 12 o 664.2302 19.33897 103.9379       6.042563  0.000000       0.000000  103.9379       6.042563  ?        ?        664.2302 19.33897 0.000000       19.33897 
1 1 1 6   14 13 o 813.7693 13.80144 155.8949       5.283175  149.5554       7.202620  163.2784       7.773015  796.7157 19.21842 832.4180 19.85083 -35.70227      27.62976 
1 1 1 6   14 14 o 946.8755 14.39760 211.1043       6.412868  209.7610       8.976664  212.5044       9.164587  943.3593 20.22873 949.4788 20.51910 -6.119507      28.81380 
1 1 1 6   14 15 o 1378.366 18.85054 447.8010       12.22243  440.3051       15.01130  462.5446       21.05272  1366.009 23.36122 1398.099 32.01113 -32.08972      39.62901 
1 1 1 6   14 16 o 448.8589 17.47964 47.48679       3.690726  44.05449       4.983095  51.65752       5.493035  431.1879 24.67006 466.9689 25.09869 -35.78101      35.19313 
1 1 1 6   14 17 o 332.7737 21.80730 26.25817       3.394781  32.39727       4.915554  20.66001       4.693997  368.8218 28.55515 292.9401 34.74099 75.88168       44.97035 
1 1 1 6   14 18 o 340.6885 23.58878 27.57900       3.757089  25.59751       5.983902  28.86847       4.827168  325.0070 39.98337 347.5697 29.81297 -22.56271      49.87468 
1 1 1 6   14 19 o 349.4931 22.19604 29.01223       3.630153  25.28646       5.166842  32.64423       5.101407  323.8507 34.44522 369.4709 29.60074 -45.62021      45.41671 
1 1 1 6   14 20 o 183.6589 59.13550 8.209535       5.805483  12.75268       8.862609  4.794888       7.683453  225.5905 73.10996 169.3464 66.32625 56.24414       98.71291 
1 1 1 6   14 21 o 158.5631 46.48024 6.255903       3.691138  9.532229       4.969440  2.223841       5.512867  193.5269 53.02055 135.9681 55.19213 57.55876       76.53333 
1 1 1 6   14 22 o 634.9576 20.90067 95.66453       6.242724  99.25034       7.443108  87.15815       11.46391  645.6891 24.50538 597.3788 41.04466 48.31030       47.80354 
1 1 1 6   14 23 o 469.7281 21.21309 52.45318       4.687267  46.55173       7.180530  56.83505       6.187384  437.1740 35.21527 486.5969 27.13948 -49.42288      44.45972 
1 1 1 6   14 24 o 372.3958 27.19113 33.45224       4.730302  36.89061       6.886383  30.38050       6.508882  386.5470 38.37951 349.6038 40.31764 36.94318       55.66416 
1 1 1 6   14 25 o 229.9997 40.96019 13.42809       4.269124  9.060643       8.557086  14.87538       4.925950  191.9441 71.21113 240.5999 45.18285 -48.65578      84.33572 
1 1 1 6   14 26 f 215.1527 34.77183 11.59267       3.399163  13.91754       4.770463  9.194911       4.844681  231.7938 45.37537 185.9388 52.87845 45.85501       69.67822 
1 1 1 6   14 27 o 233.1086 36.44521 13.69825       3.865531  12.33732       4.916844  15.90072       6.254946  215.3831 49.55925 241.7749 56.08400 -26.39178      74.84341 
1 1 1 6   14 28 o 133.0538 48.52654 4.062723       3.946229  3.895547       4.625968  4.509513       7.562538  135.7851 51.91965 157.0218 64.29420 -21.23674      82.64015 
1 1 1 6   14 29 o 193.2253 40.46124 9.781941       3.559766  7.614631       5.019355  11.97520       5.049317  167.4433 55.05993 208.4896 51.73138 -41.04634      75.54953 
1 1 1 6   14 30 o 251.8057 31.78698 15.98353       3.681281  22.03924       6.174256  12.64338       4.585476  285.5465 47.64505 215.5361 46.58554 70.01045       66.63530 
1 1 1 6   14 31 o 150.4145 44.43624 6.214458       3.362032  2.326397       5.466053  8.580488       4.264002  126.2573 53.39960 173.7217 49.67938 -47.46439      72.93530 
1 1 1 6   14 32 o 271.1062 33.73289 19.08609       4.208893  16.57253       5.807541  21.86683       6.108397  236.2775 53.49599 277.4754 48.56803 -41.19792      72.25423 
1 1 1 6   14 33 f 141.6055 46.14172 5.820639       3.528013  15.66588       5.379259  -1.610880      4.673563  227.5802 51.45542 95.86426 44.27376 131.7160       67.88097 
1 1 1 6   16 0  o 1583.082 18.22029 590.0673       13.56838  583.1266       16.38177  605.2319       24.21445  1573.352 22.13429 1601.524 32.14192 -28.17224      39.02601 
1 1 1 6   16 1  o 1142.912 12.62917 307.3857       6.789800  327.0387       10.06457  290.9702       9.198260  1178.566 18.15398 1111.713 17.58911 66.85352       25.27733 
1 1 1 6   16 2  o 1224.230 15.74874 352.7825       9.069390  371.5815       17.41809  345.7901       10.62304  1255.186 29.50009 1211.845 18.63513 43.34033       34.89302 
1 1 1 6   16 3  f 1331.969 16.74942 417.6564       10.49453  428.0619       19.89977  413.6475       12.35180  1346.933 31.40745 1325.323 19.81251 21.61035       37.13439 
1 1 1 6   16 4  o 1385.491 16.51327 451.8922       10.76233  0.000000       0.000000  451.8922       10.76233  ?        ?        1385.491 16.51327 0.000000       16.51327 
1 1 1 6   16 5  o 844.8386 10.93547 167.9428       4.345909  195.1249       12.14427  163.9506       4.654121  909.5967 28.38266 834.7075 11.85316 74.88922       30.75830 
1 1 1 6   16 6  o 846.7840 11.09787 168.7216       4.420602  159.3936       10.98250  170.5251       4.829073  822.0676 28.40041 851.2647 12.05951 -29.19714      30.85474 
1 1 1 6   16 7  o 992.2863 12.50483 231.7178       5.836923  225.6243       13.42554  233.1381       6.481544  977.9209 29.18494 995.2590 13.84437 -17.33807      32.30212 
1 1 1 6   16 8  o 604.9680 10.79492 86.11861       3.072000  85.33109       4.142478  87.08092       4.579203  602.0838 14.62628 608.1768 16.00629 -6.093018      21.68247 
1 1 1 6   16 9  o 1290.947 17.44724 392.4560       10.59509  396.7642       12.64100  382.2831       19.42501  1297.687 20.70819 1272.180 32.45963 25.50708       38.50268 
1 1 1 6   16 10 f 583.1414 12.07902 80.03168       3.313407  78.67496       4.501874  81.63531       4.894432  578.0168 16.55708 588.7424 17.67290 -10.72559      24.21710 
1 1 1 6   16 11 f 445.6167 14.51546 46.75123       3.042717  45.83829       4.362684  47.61591       4.245798  441.0041 21.03012 449.5152 20.07917 -8.511047      29.07644 
1 1 1 6   16 12 o 986.4702 13.60981 229.0996       6.315467  235.1749       8.960616  223.1027       8.902506  999.0028 19.06786 972.9871 19.45073 26.01569       27.23810 
1 1 1 6   16 13 o 1632.726 21.14424 628.6227       16.23957  612.0690       28.51129  636.5721       19.75778  1606.556 37.72695 1642.033 25.57919 -35.47705      45.58089 
1 1 1 6   16 14 o 718.1273 34.75445 122.2652       11.74035  122.2652       11.74035  0.000000       0.000000  718.1273 34.75445 ?        ?        0.000000       34.75445 
1 1 1 6   16 15 o 694.6364 14.61820 113.6764       4.776619  107.2646       6.516535  121.1216       7.022077  674.2205 20.54686 716.4146 20.83684 -42.19415      29.26341 
1 1 1 6   16 16 o 336.0482 25.10973 26.86017       3.940614  29.79646       4.519530  17.55054       8.047492  353.6811 27.37844 263.0613 65.33008 90.61978       70.83501 
1 1 1 6   16 17 o 582.6258 15.71606 80.05240       4.307276  85.14508       6.136352  75.10622       6.047437  600.1450 21.73626 563.5111 22.81390 36.63391       31.51093 
1 1 1 6   16 18 o 209.0913 31.40202 10.63393       2.993175  13.04413       4.153839  8.030867       4.316842  230.0824 39.82098 179.2011 49.54942 50.88135       63.56772 
1 1 1 6   16 19 o 678.5383 15.93031 108.7010       5.084729  112.6618       7.316556  105.0011       7.071488  689.4805 22.55877 665.6205 22.58472 23.85992       31.92128 
1 1 1 6   16 20 o 714.6357 17.70840 120.7772       5.952964  135.5487       8.025180  102.7051       8.876583  755.7895 22.57276 656.0787 28.76210 99.71075       36.56211 
1 1 1 6   16 21 o 360.7786 20.85500 30.98648       3.524229  33.21289       5.122144  28.98502       4.856484  371.3623 29.56631 346.6241 30.08308 24.73822       42.18008 
1 1 1 6   16 22 o 184.2195 37.64403 8.525856       3.151947  4.450326       4.522206  12.37628       4.395545  143.2878 51.99479 220.9521 43.83825 -77.66429      68.00919 
1 1 1 6   16 23 o 279.8655 26.34505 18.92320       3.427489  22.42596       5.102001  16.04214       4.627121  301.3551 36.75225 252.9801 40.22955 48.37497       54.48986 
1 1 1 6   16 24 o 579.8420 17.61486 79.81739       4.804610  83.98255       6.912603  75.92465       6.682716  592.0847 24.81924 562.7878 25.24289 29.29694       35.40054 
1 1 1 6   16 25 f 360.0837 22.20217 31.10181       3.742353  33.12299       5.326865  29.13198       5.258765  368.3025 31.03586 344.4839 32.85037 23.81854       45.19261 
1 1 1 6   16 26 o 247.8040 33.55643 15.26865       3.810979  15.37655       4.869521  15.09810       6.122044  244.2176 44.00641 236.1738 55.96274 8.043839       71.19264 
1 1 1 6   16 27 o 159.1571 42.71490 6.624563       3.264771  12.72965       4.820311  1.450503       4.437568  218.9424 48.11615 116.8017 48.67141 102.1407       68.44027 
1 1 1 6   16 28 o 131.1137 43.36755 4.314634       3.112233  4.496825       4.370821  4.127261       4.432551  138.6266 50.99260 135.8440 51.08289 2.782608       72.17830 
1 1 1 6   16 29 o 125.8851 44.48728 3.847430       3.286997  6.183116       5.318948  2.404313       4.180894  154.7730 56.35468 119.3542 48.19834 35.41879       74.15477 
1 1 1 6   16 30 o 182.8269 40.13368 8.936460       3.356947  5.517242       5.485845  10.98324       4.244396  148.0215 56.55359 199.7186 46.11125 -51.69702      72.96956 
1 1 1 6   16 31 o 83.78912 38.26519 -1.393356      3.358827  0.6090963      4.833068  -3.263972      4.671261  110.6008 48.49535 91.15916 42.81339 19.44167       64.68992 
1 1 1 6   16 32 o 163.0490 45.54089 7.687835       3.627233  3.989299       5.281417  10.98989       4.990315  131.2525 53.73461 188.9583 53.64308 -57.70583      75.92752 
1 1 1 6   18 0  o 1094.161 12.37286 281.7400       6.368258  287.3423       9.041991  276.2259       8.970587  1104.679 17.40038 1083.085 17.60715 21.59351       24.75449 
1 1 1 6   18 1  f 1573.934 15.99507 583.2101       11.84246  636.8640       18.28849  544.4683       15.54058  1643.814 23.65135 1520.148 21.73262 123.6661       32.11998 
1 1 1 6   18 2  o 625.7512 13.04208 92.15514       3.838997  98.84068       8.164075  90.25719       4.349923  647.3870 26.80857 619.2126 14.93387 28.17432       30.68746 
1 1 1 6   18 3  o 699.3610 13.07756 115.1131       4.302268  123.0975       9.370936  112.9807       4.842820  722.3995 27.57632 692.7874 14.86035 29.61212       31.32544 
1 1 1 6   18 4  o 526.4818 10.21851 65.22025       2.530698  68.28181       7.716778  64.85130       2.678849  536.9562 30.67845 524.9770 10.84772 11.97925       32.53983 
1 1 1 6   18 5  o 596.0856 10.19540 83.60613       2.858789  71.25446       7.989866  85.41959       3.061466  548.4725 31.09609 602.5002 10.80197 -54.02765      32.91883 
1 1 1 6   18 6  o 345.9048 10.08143 28.15383       1.640394  23.23127       6.536320  28.48471       1.694629  309.5767 46.30687 347.9276 10.35420 -38.35086      47.45035 
1 1 1 6   18 7  o 1849.139 39.48443 809.7504       34.34509  809.7504       34.34509  0.000000       0.000000  1849.139 39.48443 ?        ?        0.000000       39.48443 
1 1 1 6   18 8  o 393.8268 10.83220 36.49965       2.006740  41.73603       7.173765  36.05511       2.090185  418.3293 36.83079 391.4106 11.35227 26.91861       38.54065 
1 1 1 6   18 9  o 525.0838 14.91651 64.92078       3.684385  55.91558       8.102180  67.26841       4.136857  484.7214 35.78675 534.4285 16.45552 -49.70715      39.38878 
1 1 1 6   18 10 o 1019.263 15.61723 244.6785       7.487891  243.8626       8.637433  247.1463       15.02199  1017.333 18.04897 1022.331 31.23680 -4.998169      36.07635 
1 1 1 6   18 11 o 368.6712 13.87332 32.00579       2.405963  30.51335       3.108938  34.23422       3.798936  359.3399 18.45462 380.3930 21.31635 -21.05307      28.19503 
1 1 1 6   18 12 o 986.8913 13.63047 229.3691       6.327752  222.1486       8.612490  237.8389       9.327841  970.6645 18.86211 1004.240 19.74577 -33.57599      27.30704 
1 1 1 6   18 13 o 303.0075 17.86689 21.72409       2.535396  21.21985       3.430106  22.33138       3.764337  298.6475 24.63617 306.1727 26.39474 -7.525146      36.10572 
1 1 1 6   18 14 f 673.2998 17.13564 106.9092       5.427227  108.9477       11.47534  106.3219       6.159668  675.6337 36.23864 671.1829 19.50955 4.450806       41.15654 
1 1 1 6   18 15 o 329.4605 18.43812 25.70014       2.846051  25.61651       3.938412  25.79154       4.117398  327.8923 25.74097 328.8329 26.85255 -0.9406128     37.19755 
1 1 1 6   18 16 o 478.6937 15.33941 54.04908       3.454106  57.25633       4.911346  50.91014       4.858765  492.0548 21.21865 463.8577 22.26752 28.19705       30.75831 
1 1 1 6   18 17 o 602.3090 20.88971 85.84325       5.918628  89.38764       7.232295  78.65636       10.29856  613.8076 25.04809 571.1973 38.55407 42.61029       45.97633 
1 1 1 6   18 18 f 637.9858 15.16529 96.08507       4.551254  99.28414       6.520906  93.04652       6.355183  647.3416 21.41436 626.6458 21.55940 20.69574       30.38721 
1 1 1 6   18 19 o 230.0055 26.77450 12.76975       2.842659  9.486510       3.952924  16.28614       4.090876  193.7092 44.33865 258.1874 34.54939 -64.47827      56.21011 
1 1 1 6   18 20 o 275.7059 29.96015 18.41776       3.823069  15.67479       7.915956  19.25217       4.366010  242.7192 67.09161 280.8914 33.71652 -38.17212      75.08720 
1 1 1 6   18 21 o 585.8167 16.46227 81.23865       4.536499  85.26284       6.542874  77.51308       6.295434  598.2419 23.24997 570.3389 23.46516 27.90302       33.03294 
1 1 1 6   18 22 o 381.1523 20.15648 34.63059       3.601107  28.34678       4.917789  41.89553       5.287786  341.5607 30.94379 417.1814 27.09179 -75.62073      41.12764 
1 1 1 6   18 23 o 542.3954 25.34691 70.47733       6.467112  70.47733       6.467112  0.000000       0.000000  542.3954 25.34691 ?        ?        0.000000       25.34691 
1 1 1 6   18 24 o 226.9364 30.55452 12.67060       3.178839  11.67696       4.371481  13.78564       4.630836  212.5954 45.10936 231.8640 44.06870 -19.26862      63.06270 
1 1 1 6   18 25 o 291.1459 26.05199 20.55977       3.530258  21.57904       5.026159  19.56732       4.959584  293.8976 37.18769 278.9322 38.85381 14.96536       53.78236 
1 1 1 6   18 26 o 69.72908 33.17044 -3.481702      2.975778  -2.051773      4.414191  -4.672915      4.028919  96.80207 44.07540 80.62601 38.42144 16.17606       58.47091 
1 1 1 6   18 27 o 185.2233 36.51888 8.803434       3.068777  3.964961       4.455638  13.16994       4.232749  134.9712 51.11077 225.2419 41.47712 -90.27066      65.82297 
1 1 1 6   18 28 o 100.9432 40.74734 1.496965       2.986876  8.617718       5.346813  -1.733182      3.601167  175.7957 56.76689 86.84301 39.64497 88.95264       69.24018 
1 1 1 6   18 29 o 167.8990 39.74731 7.517554       3.090584  16.25149       5.341740  3.122764       3.789194  243.1743 48.39970 121.2303 46.82680 121.9440       67.34449 
1 1 1 6   18 30 o 121.2346 42.25063 3.732038       2.958191  8.469085       5.055178  1.265153       3.648020  169.7363 55.22911 104.1710 43.81750 65.56525       70.49985 
1 1 1 6   18 31 o 80.84259 37.14323 -1.514955      3.229881  -2.782105      4.867581  -0.5181332     4.317257  94.22942 44.07862 98.72754 44.40135 -4.498116      62.56521 
1 1 1 6   20 0  o 1321.614 16.38067 411.3407       10.18370  425.1579       12.75436  387.0393       16.91470  1343.185 20.18615 1280.402 28.08333 62.78308       34.58546 
1 1 1 6   20 1  o 1104.587 15.16405 287.2852       7.879240  298.4543       14.79662  282.8646       9.308811  1124.379 27.97565 1095.805 18.05891 28.57434       33.29807 
1 1 1 6   20 2  o 1173.172 15.82148 324.1046       8.731282  353.1510       17.45748  314.4150       10.08300  1222.645 30.35371 1155.241 18.55443 67.40393       35.57548 
1 1 1 6   20 3  o 1499.635 22.05430 530.2094       15.55780  0.000000       0.000000  530.2094       15.55780  ?        ?        1499.635 22.05430 0.000000       22.05430 
1 1 1 6   20 4  o 1162.507 13.29278 318.1413       7.269104  317.1819       16.49985  318.3723       8.097247  1158.581 30.27501 1162.804 14.80340 -4.222656      33.70040 
1 1 1 6   20 5  o 418.6978 10.28666 41.25566       2.026022  36.86088       7.075747  41.64815       2.114559  392.4452 38.83853 420.6754 10.68571 -28.23022      40.28170 
1 1 1 6   20 6  o 352.4380 14.34896 29.24852       2.378880  27.39893       6.868924  29.50060       2.535810  336.6346 44.46537 353.9277 15.23116 -17.29309      47.00167 
1 1 1 6   20 7  o 913.7713 14.34322 196.6284       6.165290  224.2866       14.09145  190.0806       6.856350  973.7804 30.76277 898.2741 16.22613 75.50629       34.77981 
1 1 1 6   20 8  o 564.1819 12.96810 74.94616       3.441636  67.77646       8.918927  76.20054       3.730572  533.4414 35.75002 568.8357 13.94182 -35.39429      38.37236 
1 1 1 6   20 9  o 1050.917 12.70692 260.0601       6.281707  247.7705       15.39646  262.5144       6.880418  1022.659 32.00523 1055.750 13.85430 -33.09100      34.87515 
1 1 1 6   20 10 o 1040.002 13.38753 254.7508       6.549437  260.1962       16.51491  253.7345       7.134452  1047.204 33.52552 1037.786 14.61448 9.418213       36.57244 
1 1 1 6   20 11 o 755.7937 11.73225 134.5132       4.171133  140.1709       5.872790  128.7540       5.925307  771.1080 16.19049 738.9466 17.04624 32.16138       23.50970 
1 1 1 6   20 12 o 1343.576 18.62925 426.0167       11.77408  440.8697       14.21642  393.5791       21.00908  1365.854 22.12669 1286.073 34.72740 79.78198       41.17746 
1 1 1 6   20 13 o 1313.742 15.51453 407.0002       9.587781  420.2140       13.79083  394.6385       13.33880  1333.144 21.99096 1291.951 21.94833 41.19324       31.06979 
1 1 1 6   20 14 o 446.3207 13.91185 46.96318       2.920796  45.22129       3.956632  49.04913       4.329804  437.4969 19.22566 455.5304 20.20606 -18.03342      27.89106 
1 1 1 6   20 15 o 442.9299 18.89653 46.36935       3.937191  47.02735       9.276414  46.22478       4.348274  438.7788 45.60983 441.9968 20.91358 -3.217987      50.17604 
1 1 1 6   20 16 o 244.3154 23.53867 14.28665       2.671743  15.43104       4.027282  13.38707       3.570631  251.5053 34.98820 234.3558 33.32818 17.14952       48.32123 
1 1 1 6   20 17 o 411.5330 16.19230 40.01556       3.134602  40.67323       4.381547  39.32606       4.486302  413.4077 22.61669 406.2752 23.57601 7.132446       32.67021 
1 1 1 6   20 18 o 382.0766 21.38422 34.74829       3.827949  33.29775       4.305547  40.21998       8.362273  373.2548 24.66085 403.4771 44.81638 -30.22226      51.15335 
1 1 1 6   20 19 o 313.9262 20.29672 23.48203       2.981204  21.33301       4.137824  25.80163       4.298907  296.8297 30.04832 327.2341 28.20284 -30.40436      41.21046 
1 1 1 6   20 20 o 258.2641 23.08781 16.00943       2.775316  15.56153       3.978019  16.43418       3.873832  251.5187 34.53371 259.2160 32.48272 -7.697311      47.40996 
1 1 1 6   20 21 o 230.4925 32.96228 13.08108       3.472128  15.07729       8.150049  12.63844       3.837831  235.5064 69.07568 225.0365 37.57991 10.46999       78.63650 
1 1 1 6   20 22 o 296.9911 23.42187 21.18813       3.245602  24.14685       5.110632  19.18827       4.201667  313.2325 35.30022 279.8043 32.52969 33.42813       48.00298 
1 1 1 6   20 23 o 128.1485 40.10410 4.052686       2.686198  7.800960       4.015225  1.015953       3.614078  173.2619 47.73784 106.2007 44.06105 67.06121       64.96366 
1 1 1 6   20 24 o 219.2438 37.42282 12.12721       3.720990  13.49667       4.351324  8.400714       7.177872  229.7955 41.79375 182.4619 65.60541 47.33360       77.78680 
1 1 1 6   20 25 o 177.6590 37.20361 8.075351       3.009486  8.611780       4.176353  7.495924       4.340502  180.1744 48.29309 168.4697 50.65835 11.70464       69.98922 
1 1 1 6   20 26 o 157.8532 37.66005 6.453687       2.757366  7.234982       3.906260  5.677773       3.892784  164.8584 47.66999 148.4168 48.47364 16.44164       67.98619 
1 1 1 6   20 27 o 154.4987 43.37189 6.348123       3.281261  8.715816       6.442161  5.518698       3.812917  177.3668 62.31960 145.5039 47.99578 31.86298       78.65956 
1 1 1 6   20 28 o 78.51903 35.23607 -0.8562517     2.702580  -6.545779      4.383777  2.631870       3.432466  77.78031 37.80778 114.5215 44.47516 -36.74117      58.37352 
1 1 1 6   20 29 o 215.4375 53.43697 13.49287       5.389148  13.49287       5.389148  0.000000       0.000000  215.4375 53.43697 ?        ?        0.000000       53.43697 
1 1 1 6   22 0  o 274.9734 12.04544 17.80155       1.558054  18.14687       1.894589  17.08009       2.738459  277.1803 14.58187 268.1483 21.90133 9.032043       26.31158 
1 1 1 6   22 1  o 737.3033 10.61448 127.9593       3.681412  129.9653       4.989593  125.5626       5.453948  742.8245 14.27939 730.0116 15.88225 12.81293       21.35759 
1 1 1 6   22 2  o 1518.477 22.47327 544.2506       16.05254  0.000000       0.000000  544.2506       16.05254  ?        ?        1518.477 22.47327 0.000000       22.47327 
1 1 1 6   22 4  o 605.7399 11.26893 86.38198       3.210985  0.000000       0.000000  86.38198       3.210985  ?        ?        605.7399 11.26893 0.000000       11.26893 
1 1 1 6   22 5  o 410.2250 13.85167 39.63987       2.672968  39.53627       7.449763  39.65517       2.863644  405.6782 39.54100 410.2590 14.83855 -4.580811      42.23356 
1 1 1 6   22 6  f 615.3306 22.12314 89.41188       6.403605  83.05589       9.073451  95.71939       9.038777  590.7620 32.77923 635.5640 30.23299 -44.80206      44.59273 
1 1 1 6   22 7  o 1097.057 22.13371 284.2833       11.42228  267.5684       15.73295  302.9133       16.60977  1062.002 31.49311 1130.046 31.24626 -68.04419      44.36378 
1 1 1 6   22 8  o 471.9102 24.93289 52.82752       5.515150  60.52319       8.437533  47.08681       7.287445  503.0233 35.89369 443.5259 35.21892 59.49741       50.28648 
1 1 1 6   22 9  f 665.0058 31.09924 105.0238       9.728469  0.000000       0.000000  105.0238       9.728469  ?        ?        665.0058 31.09924 0.000000       31.09924 
1 1 1 6   22 10 o 187.0249 50.75090 8.737736       4.578763  5.502378       6.528519  11.86980       6.423456  167.4298 62.18364 217.0643 60.59500 -49.63449      86.82487 
1 1 1 6   22 11 o 800.2402 14.54013 150.9961       5.473408  146.3139       12.26713  152.1600       6.115943  783.5995 33.27972 803.0779 16.18961 -19.47839      37.00869 
1 1 1 6   22 12 o 528.0677 16.13367 65.80809       4.007671  47.29489       8.477949  71.13556       4.547897  441.7818 41.27378 548.8496 17.61521 -107.0678      44.87562 
1 1 1 6   22 13 o 363.2719 15.22792 31.14102       2.602206  30.02867       2.749068  40.72533       8.069458  356.6323 16.38685 408.8390 42.58370 -52.20670      45.62785 
1 1 1 6   22 14 o 704.3174 12.30381 116.9512       4.076406  111.8566       5.449926  123.4213       6.141687  688.0957 16.83730 722.5494 18.06970 -34.45367      24.69835 
1 1 1 6   22 15 o 91.71120 33.71389 1.621631       1.910156  0.6658740      2.546120  2.852127       2.888985  90.31765 37.18110 116.5412 41.65095 -26.22352      55.83221 
1 1 1 6   22 16 o 382.2400 50.03596 36.50417       8.780787  36.50417       8.780787  0.000000       0.000000  382.2400 50.03596 ?        ?        0.000000       50.03596 
1 1 1 6   22 17 o 514.9147 14.12079 62.61631       3.420294  60.50766       4.670690  65.05460       5.022501  505.2043 19.65372 523.6855 20.38826 -18.48117      28.31872 
1 1 1 6   22 18 o 177.8174 31.73531 7.815991       2.557147  9.558999       3.406156  5.564804       3.870977  195.3032 38.44410 150.8174 48.25942 44.48581       61.70024 
1 1 1 6   22 19 o 107.7091 41.39506 2.002018       2.949989  0.8475937      3.251487  7.375149       7.014761  101.1389 41.86276 178.7198 64.77209 -77.58088      77.12272 
1 1 1 6   22 20 o 106.7973 37.88595 2.455813       2.386062  4.303616       3.395916  0.6541055      3.353291  134.9107 45.31796 100.7756 42.17804 34.13512       61.90884 
1 1 1 6   22 21 o 324.7144 21.50697 25.22280       3.266511  26.03746       5.219741  24.69838       4.187920  325.7163 34.59717 319.4034 28.16160 6.312836       44.60986 
1 1 1 6   22 22 o 112.9177 42.73602 2.431272       3.114018  0.2964923      7.010781  2.955965       3.475701  135.6653 58.96703 121.1805 45.29985 14.48476       74.35850 
1 1 1 6   22 23 o 297.0049 21.73485 21.18929       3.015525  16.43972       4.092000  26.83421       4.461055  257.1090 34.72178 331.9351 28.85747 -74.82605      45.14815 
1 1 1 6   22 24 o 315.7919 20.06291 23.91095       2.964863  22.16634       4.200039  25.64384       4.185895  300.4301 30.12526 324.3489 27.70074 -23.91882      40.92508 
1 1 1 6   22 25 o 162.3921 42.96792 6.944263       3.333225  7.827837       3.818259  4.114150       6.833542  171.4502 46.26995 150.5419 61.31848 20.90828       76.81709 
1 1 1 6   22 26 o 361.9880 18.05961 31.33003       3.075190  34.49143       4.495640  28.54996       4.215787  375.9700 25.57158 341.4756 26.45157 34.49438       36.79118 
1 1 1 6   22 27 f 104.3225 38.90034 2.326690       2.559894  -4.057670      4.022736  6.671434       3.318524  81.60881 38.74671 157.1661 43.43853 -75.55730      58.20836 
1 1 1 6   24 0  o 417.7316 11.56449 41.09729       2.272443  39.25209       2.554445  48.09751       4.975427  408.1582 13.30450 450.3584 23.56758 -42.20026      27.06364 
1 1 1 6   24 1  o 475.5500 10.34022 53.24701       2.313105  54.96889       2.974028  50.61053       3.680061  483.0227 13.08905 463.2154 16.88895 19.80731       21.36726 
1 1 1 6   24 2  o 793.0530 11.37425 148.1188       4.243207  153.9379       6.097307  142.6540       5.908735  807.9609 16.04274 777.7712 16.15003 30.18964       22.76385 
1 1 1 6   24 3  o 626.7885 13.79568 92.58237       4.067554  106.0642       8.997494  89.11929       4.560144  668.7292 28.60236 614.7706 15.76871 53.95862       32.66110 
1 1 1 6   24 4  o 115.1199 24.38194 3.254389       1.279254  3.570155       5.728375  3.237815       1.312398  148.2843 57.49196 114.7534 25.01823 33.53096       62.69958 
1 1 1 6   24 5  o 585.5996 31.80092 81.77766       8.727268  81.77766       8.727268  0.000000       0.000000  585.5996 31.80092 ?        ?        0.000000       31.80092 
1 1 1 6   24 6  o 386.9344 26.72495 35.66393       4.834521  26.59334       7.013382  43.87634       6.673375  329.2182 46.58784 427.9580 33.41428 -98.73975      57.33185 
1 1 1 6   24 7  o 332.4923 30.25806 26.49433       4.680729  31.48038       7.239731  22.91320       6.135559  359.3173 43.73473 305.7338 43.92339 53.58353       61.98380 
1 1 1 6   24 8  o 338.1431 42.67273 27.91023       6.636526  0.000000       0.000000  27.91023       6.636526  ?        ?        338.1431 42.67273 0.000000       42.67273 
1 1 1 6   24 9  o 333.2637 31.82674 26.70649       4.928757  23.84364       7.075329  29.40547       6.869842  309.6356 50.30304 346.8726 43.02623 -37.23700      66.19405 
1 1 1 6   24 10 o 747.3098 22.44598 132.2973       7.890573  140.1605       11.56365  125.4459       10.79397  766.3534 32.07722 725.1516 31.64341 41.20178       45.05833 
1 1 1 6   24 11 o 142.9019 59.28241 1.766647       6.541581  1.766647       6.541581  0.000000       0.000000  142.9019 59.28241 ?        ?        0.000000       59.28241 
1 1 1 6   24 12 o 616.2522 35.70635 91.46850       10.30643  0.000000       0.000000  91.46850       10.30643  ?        ?        616.2522 35.70635 0.000000       35.70635 
1 1 1 6   24 13 o 508.0014 44.82291 63.25803       10.60128  63.25803       10.60128  0.000000       0.000000  508.0014 44.82291 ?        ?        0.000000       44.82291 
1 1 1 6   24 14 o 507.5870 14.58594 60.83808       3.482686  57.72890       9.627604  61.30619       3.735668  485.6337 42.57418 509.3931 15.59000 -23.75937      45.33883 
1 1 1 6   24 15 o 323.4527 16.31134 24.79778       2.473824  24.33295       2.615827  28.73365       7.611742  320.2232 17.43113 338.5345 49.24153 -18.31137      52.23574 
1 1 1 6   24 16 o 167.3446 22.73902 6.775129       1.743644  6.153592       2.292564  7.628032       2.685577  157.3631 32.05907 175.2357 33.80453 -17.87260      46.58895 
1 1 1 6   24 17 o 682.5386 13.83161 110.0330       4.440882  103.4091       5.530443  122.0571       7.451209  660.7668 17.79272 716.5278 22.10672 -55.76105      28.37760 
1 1 1 6   24 18 o 151.8384 30.74219 5.732991       2.120448  6.341973       2.925262  5.058709       3.078104  158.2941 39.43184 142.4990 42.61763 15.79512       58.06145 
1 1 1 6   24 19 o 163.0890 29.52287 6.580416       2.181534  5.220001       2.930799  8.270628       3.266788  143.9541 41.19405 180.6684 39.53701 -36.71431      57.09751 
1 1 1 6   24 20 o 459.2541 15.46560 49.94244       3.341097  48.73308       4.654476  51.22800       4.798881  452.1416 21.88402 463.5357 22.00835 -11.39410      31.03672 
1 1 1 6   24 21 o 206.0187 26.50144 10.35761       2.508750  9.326970       3.552258  11.38321       3.543574  190.9643 40.78395 212.8915 36.71046 -21.92722      54.87247 
1 1 1 6   24 22 o 390.0224 17.78361 36.17472       3.262713  38.00552       4.847965  34.65891       4.411238  396.4595 26.14180 379.0218 24.87969 17.43774       36.08868 
1 1 1 6   24 23 o 126.7817 39.45737 4.033241       2.604311  -3.553496      3.360933  15.43401       4.120020  75.46449 35.70846 247.5067 36.48091 -172.0423      51.04851 
1 1 1 6   24 24 o 204.8303 25.41558 10.29519       2.396240  6.717033       3.296288  14.30524       3.489556  159.6375 42.95300 239.4379 31.76607 -79.80049      53.42324 
1 1 1 6   24 25 f 86.81188 40.08556 -2.358072      3.828530  -0.9649227     5.162502  -4.060642      5.707081  108.9430 48.80767 101.7630 47.64267 7.179970       68.20567 
1 1 1 6   26 0  o 376.1683 11.93265 33.34473       2.111487  33.91155       2.406781  31.45066       4.399587  379.2521 13.49085 363.1524 25.92490 16.09970       29.22505 
1 1 1 6   26 1  o 114.9002 22.37167 3.231850       1.165680  2.462545       1.317005  6.014302       2.504677  100.1995 27.23031 155.6415 35.05309 -55.44201      44.38704 
1 1 1 6   26 2  o 229.5384 16.60396 12.50231       1.780718  14.92050       2.430353  9.699337       2.616577  250.2891 20.83151 200.0182 28.62598 50.27081       35.40337 
1 1 1 6   26 3  o 601.1339 13.65766 85.20821       3.862041  90.04163       8.462068  83.93655       4.340456  615.1663 29.24251 596.4178 15.47090 18.74847       33.08282 
1 1 1 6   26 4  o 350.4076 38.15116 29.78597       6.186931  29.78597       6.186931  0.000000       0.000000  350.4076 38.15116 ?        ?        0.000000       38.15116 
1 1 1 6   26 5  o 122.5760 46.78336 2.606893       3.751664  3.317479       5.698632  2.063318       4.984164  145.4262 57.07313 130.4942 52.65038 14.93199       77.64925 
1 1 1 6   26 6  f 610.9604 22.14327 88.42345       6.363911  87.36624       9.371416  89.32819       8.669383  603.7815 33.12210 612.2332 30.10246 -8.451721      44.75748 
1 1 1 6   26 7  o 667.4954 22.00820 105.5607       6.910382  114.3876       10.69143  99.22712       9.056348  691.7630 32.85558 645.1998 29.83937 46.56323       44.38330 
1 1 1 6   26 8  o 318.4929 32.95856 24.50835       4.866396  32.31273       7.930526  19.79489       6.163155  361.4532 47.81620 281.4698 48.28662 79.98343       67.95576 
1 1 1 6   26 9  o 349.2347 31.20955 29.35979       5.073114  29.03687       7.505673  29.63139       6.883562  342.0906 47.96032 347.3491 43.05126 -5.258484      64.44846 
1 1 1 6   26 10 o 526.7850 25.20201 65.96770       6.245077  69.38169       8.988989  62.78241       8.682717  536.2322 35.84242 509.7619 36.44966 26.47031       51.12003 
1 1 1 6   26 11 o 185.8567 50.29873 8.769360       4.504656  22.66647       6.893508  -1.587396      5.950999  300.2184 50.61288 119.4808 53.03729 180.7376       73.31179 
1 1 1 6   26 12 o 608.2006 24.65381 87.96297       7.053426  87.51487       9.999773  88.40667       9.950511  602.1779 35.45822 605.4081 35.09091 -3.230225      49.88644 
1 1 1 6   26 13 o 404.5209 30.27592 39.36457       5.719350  33.05589       7.868084  46.43282       8.328287  364.7182 46.95110 435.6217 41.12888 -70.90350      62.41787 
1 1 1 6   26 14 o 655.6129 35.30016 103.8942       10.84652  0.000000       0.000000  103.8942       10.84652  ?        ?        655.6129 35.30016 0.000000       35.30016 
1 1 1 6   26 15 f 291.4359 37.05334 20.85780       4.964875  15.71344       6.717514  27.05113       7.370634  245.0299 58.98872 327.6773 49.34849 -82.64734      76.90867 
1 1 1 6   26 16 o 216.1419 18.03324 11.14472       1.816763  -6.557670      6.259576  12.77310       1.898484  102.9715 48.72664 231.5735 17.55872 -128.6019      51.79377 
1 1 1 6   26 17 o 389.0007 11.90520 35.71573       2.178494  31.95328       2.885652  40.70182       3.321917  367.3210 16.70048 414.5094 17.03668 -47.18845      23.85696 
1 1 1 6   26 18 f 163.7735 23.21283 6.521215       1.738245  4.459161       2.299024  9.273178       2.655919  133.1208 35.89428 194.1005 30.06015 -60.97971      46.81893 
1 1 1 6   26 19 o 114.6025 48.24001 0.8986071      4.426724  0.4684899      6.338018  1.308264       6.185436  130.8641 56.47216 133.8806 56.72436 -3.016525      80.04222 
1 1 1 6   26 20 o 153.6828 53.87788 5.688337       4.813803  10.35077       7.369705  2.218787       6.357410  197.1679 66.75749 139.5297 58.20877 57.63815       88.57101 
1 1 1 6   26 21 o 311.6580 35.38133 24.15887       5.095139  23.03211       7.415614  25.16647       7.012501  293.0381 55.83514 310.4411 49.69665 -17.40305      74.74837 
1 1 1 6   26 23 o 236.3625 59.28601 15.82045       6.580268  15.82045       6.580268  0.000000       0.000000  236.3625 59.28601 ?        ?        0.000000       59.28601 
1 1 1 6   28 0  o 181.6438 16.17796 7.852909       1.367866  7.495590       1.604498  8.803442       2.616948  176.9254 19.60855 189.8566 30.32247 -12.93120      36.11021 
1 1 1 6   28 1  o 254.4489 14.11697 15.32161       1.683077  17.50892       2.139563  11.77080       2.726051  271.7312 16.82119 220.9229 26.77868 50.80833       31.62357 
1 1 1 6   28 2  o 731.7674 14.01829 126.3308       4.825444  139.2390       10.71571  123.0474       5.404421  764.1583 29.81043 721.8780 15.91535 42.28033       33.79290 
1 1 1 6   28 3  o 107.5531 33.24624 2.763596       1.852492  -4.343044      5.477009  3.681616       1.968509  102.5887 47.57207 122.0924 33.33739 -19.50362      58.09031 
1 1 1 6   28 4  o 352.1143 12.73479 29.23573       2.109331  26.66171       6.324106  29.55793       2.237455  329.8100 41.69442 353.9982 13.43643 -24.18817      43.80596 
1 1 1 6   28 5  o 400.0871 25.33510 38.18140       4.743496  37.96077       7.241576  38.34721       6.277811  395.0362 39.49913 398.8187 33.78030 -3.782501      51.97394 
1 1 1 6   28 6  o 684.0226 21.34694 110.8622       6.868711  104.9941       9.787125  116.5577       9.642147  662.8492 31.38854 699.0999 29.32009 -36.25073      42.95239 
1 1 1 6   28 7  o 656.5668 30.35986 102.9429       9.376657  0.000000       0.000000  102.9429       9.376657  ?        ?        656.5668 30.35986 0.000000       30.35986 
1 1 1 6   28 8  o 494.0308 25.10815 58.16640       5.815769  63.13913       8.689809  54.13199       7.827146  511.1781 36.37575 473.4700 35.39934 37.70807       50.75735 
1 1 1 6   28 9  o 188.7044 48.93802 9.047881       4.380693  11.65577       6.401436  6.750892       6.007759  212.7466 60.88113 171.6031 60.18811 41.14348       85.61028 
1 1 1 6   28 10 o 210.1500 59.92516 11.38526       6.213302  11.38526       6.213302  0.000000       0.000000  210.1500 59.92516 ?        ?        0.000000       59.92516 
1 1 1 6   28 11 o 281.0221 37.38899 19.37713       4.819911  14.42033       6.770415  24.47087       6.863303  235.0690 60.77910 312.5036 48.24159 -77.43459      77.59736 
1 1 1 6   28 12 o 463.8926 26.63638 51.50210       5.788114  55.08324       8.219038  47.97860       8.152623  476.0771 36.99115 443.1129 39.52734 32.96423       54.13646 
1 1 1 6   28 13 o 325.6332 51.17265 26.85791       7.580021  0.000000       0.000000  26.85791       7.580021  ?        ?        325.6332 51.17265 0.000000       51.17265 
1 1 1 6   28 14 o 448.4491 28.49813 48.36419       5.980513  42.09275       8.084194  55.94531       8.888325  412.7988 42.22659 477.5679 39.93182 -64.76913      58.11743 
1 1 1 6   28 15 o 593.2002 24.84636 84.02599       6.933193  84.51249       9.501906  83.47206       10.13912  589.9632 34.38773 584.8483 37.04560 5.114929       50.54594 
1 1 1 6   28 16 o 301.5529 36.80218 22.45108       5.112121  24.60761       7.166622  20.21700       7.294330  309.6250 50.97967 276.8118 57.88071 32.81326       77.13042 
1 1 1 6   28 17 o 261.7784 40.50180 17.22384       4.826396  18.17777       6.562327  16.09988       7.123232  262.6515 54.88263 243.7966 61.97741 18.85490       82.78468 
1 1 1 6   28 18 o 286.1523 35.97789 20.33197       4.735801  17.60404       6.324469  23.81391       7.145260  257.9060 53.86843 301.9769 52.18853 -44.07089      75.00300 
1 1 1 6   28 19 o 99.05903 46.73312 -5.300238      5.678652  0.000000       0.000000  -5.300238      5.678652  ?        ?        99.05903 46.73312 0.000000       46.73312 
1 1 1 6   28 20 o 304.5068 33.41144 23.00633       4.707246  20.34483       6.551125  25.84721       6.768288  276.1563 52.34612 315.4078 47.05796 -39.25150      70.38869 
1 1 1 6   30 0  o 72.44675 27.36237 0.9090548      1.274883  1.126425       1.529835  0.4149817      2.306430  79.75931 30.00690 84.28986 35.10345 -4.530556      46.18080 
1 1 1 6   30 1  o 217.7934 15.11863 11.25369       1.539316  10.22007       1.903316  13.20814       2.617236  206.8273 19.80509 234.6167 24.05465 -27.78940      31.15875 
1 1 1 6   30 2  o 518.0159 13.89091 63.32435       3.384878  80.73722       7.976437  59.49992       3.738157  580.8984 29.28458 501.8802 15.83391 79.01816       33.29113 
1 1 1 6   30 3  f 803.9434 16.40478 152.7291       6.203905  170.1546       11.74578  145.9869       7.306178  844.1443 29.57984 785.1666 19.78149 58.97766       35.58475 
1 1 1 6   30 4  o 310.6036 28.34750 23.19520       4.096176  20.72830       6.438998  24.87218       5.308923  287.1665 49.45109 319.6974 35.92387 -32.53088      61.12230 
1 1 1 6   30 5  o 121.0374 46.50281 2.521457       3.722174  -3.255054      5.381863  7.818074       5.153462  105.5385 48.28889 177.3736 55.55447 -71.83511      73.60785 
1 1 1 6   30 6  o 135.7255 48.25949 3.994660       3.873743  3.394769       5.691214  4.512486       5.287621  144.9058 56.98258 149.9659 55.91025 -5.060059      79.83089 
1 1 1 6   30 7  o 321.6168 30.26012 24.95766       4.524202  23.92390       6.447865  25.96017       6.349641  309.9755 45.58118 324.1782 42.67583 -14.20273      62.44093 
1 1 1 6   30 8  o 210.0697 41.75976 11.07939       3.981241  12.74079       5.781278  9.580857       5.490610  221.9355 55.51670 193.4986 56.67981 28.43689       79.33918 
1 1 1 6   30 9  o 294.0593 50.75927 21.92033       6.767565  21.92033       6.767565  0.000000       0.000000  294.0593 50.75927 ?        ?        0.000000       50.75927 
1 1 1 6   30 10 o 160.0153 48.08731 6.416844       3.911960  10.24673       5.820261  3.260999       5.283326  199.0877 58.36780 140.0366 54.95533 59.05112       80.16788 
1 1 1 6   30 11 o 307.7398 32.07243 23.02188       4.574635  30.43995       7.258248  18.13318       5.892275  349.2394 45.24482 267.0049 48.70787 82.23453       66.47970 
1 1 1 6   30 12 o 114.8507 46.37280 1.678120       3.869559  -2.538050      5.579410  5.585613       5.371286  110.0564 49.89394 157.5155 56.73971 -47.45908      75.55659 
1 1 1 6   30 13 o 248.3577 36.07722 15.27108       4.091542  9.869205       5.733436  20.87693       5.840683  194.3855 58.17060 287.7898 44.58595 -93.40422      73.29205 
1 1 1 6   30 14 o 318.7600 29.08964 24.64658       4.313806  23.33234       6.169564  25.90369       6.033982  304.0849 44.44308 322.3526 40.69977 -18.26770      60.26324 
1 1 1 6   30 15 o 393.4820 38.52967 38.34721       7.040132  38.34721       7.040132  0.000000       0.000000  393.4820 38.52967 ?        ?        0.000000       38.52967 
1 1 1 6   30 16 o 278.6603 33.23243 19.15696       4.270258  14.25684       5.738420  25.23781       6.392504  231.4954 53.73138 315.1372 44.34929 -83.64182      69.67008 
1 1 1 6   30 17 o 290.1135 34.35701 20.87674       4.597618  14.26278       6.097847  29.58978       6.998917  229.2363 56.83155 340.4261 44.79336 -111.1898      72.36208 
1 1 1 6   32 0  o 272.5839 31.57473 18.05886       3.973675  0.000000       0.000000  18.05886       3.973675  ?        ?        272.5839 31.57473 0.000000       31.57473 
1 1 1 6   32 2  o 251.3299 29.27020 15.31386       3.395684  26.42093       5.707169  9.227112       4.224873  328.4112 37.62178 190.0641 47.41190 138.3472       60.52509 
1 1 1 6   32 3  o 518.2682 20.42088 63.72960       4.978497  76.66469       8.201769  56.18312       6.264626  564.4424 31.00891 484.1252 27.62308 80.31714       41.52814 
1 1 1 6   32 4  o 126.9356 46.32151 3.334984       3.596481  5.202140       5.916129  2.240488       4.529544  158.4193 59.12445 126.1278 50.43653 32.29152       77.71451 
1 1 1 6   32 5  o 83.11119 38.67179 -3.108765      3.667634  0.8299644E-01  5.567429  -5.555886      4.874918  122.9972 53.00296 89.96008 42.69481 33.03713       68.05997 
1 1 1 6   32 6  o 448.5482 33.73108 48.78122       7.065082  0.000000       0.000000  48.78122       7.065082  ?        ?        448.5482 33.73108 0.000000       33.73108 
1 1 1 6   32 7  o 393.6209 24.75632 37.09906       4.560532  35.70155       6.639714  38.34721       6.274871  381.7874 37.45300 397.1846 33.90976 -15.39719      50.52325 
1 1 1 6   32 8  o 191.5629 41.62726 9.308860       3.643911  6.795482       5.153268  11.82224       5.153268  166.6770 55.82639 213.3900 51.84863 -46.71300      76.18967 
1 1 1 6   32 9  o 236.1212 33.74327 13.73553       3.641336  13.08859       5.187648  14.36385       5.112431  224.8678 50.30158 236.7928 47.54918 -11.92500      69.21830 
1 1 1 6   32 10 o 97.14213 41.79352 -0.1190243E-01 3.450218  -3.998217      4.830193  4.140904       4.930030  94.77441 44.19238 142.8911 53.84582 -48.11664      69.65874 
1 1 1 6   32 11 o 79.60501 36.98600 -2.706678      3.335158  -0.8555292     4.895215  -4.310345      4.556257  109.7964 48.45107 89.89530 42.24009 19.90105       64.27854 
1 1 1 6   32 12 o 269.4340 45.06935 18.50179       5.510432  0.000000       0.000000  18.50179       5.510432  ?        ?        269.4340 45.06935 0.000000       45.06935 
1 1 1 7   1  0  o 608.9203 8.786521 87.23529       2.516788  88.34055       3.610317  86.19041       3.510339  612.6694 12.52708 605.1733 12.33105 7.496033       17.57790 
1 1 1 7   1  1  o 795.3226 9.968847 148.8316       3.729560  147.4624       5.228971  150.2494       5.321022  791.5042 14.04409 798.9437 14.15825 -7.439514      19.94223 
1 1 1 7   1  2  o 1340.978 13.86757 423.2603       8.747647  422.4988       12.35739  424.0252       12.38474  1339.270 19.61504 1341.686 19.62306 -2.416138      27.74553 
1 1 1 7   1  3  o 1147.667 12.66098 309.9848       6.835217  314.1331       9.788513  306.0372       9.548854  1154.953 18.01702 1139.990 17.80659 14.96338       25.33156 
1 1 1 7   1  4  o 1780.369 17.64331 746.4114       14.77609  752.7836       21.07961  740.2560       20.71816  1786.865 25.07851 1771.972 24.85565 14.89282       35.30913 
1 1 1 7   1  5  o 1483.104 17.84990 517.9786       12.45308  525.2068       15.48730  504.7563       20.94657  1492.938 22.05284 1462.353 30.45028 30.58508       37.59718 
1 1 1 7   1  6  o 1920.791 22.01809 869.4080       19.89432  848.3948       33.57346  880.7790       24.69732  1893.977 37.68357 1932.354 27.17026 -38.37708      46.45723 
1 1 1 7   1  7  o 686.1678 11.65354 110.8015       3.761468  116.2893       5.477352  105.9036       5.174590  702.7518 16.56911 670.6447 16.40265 32.10718       23.31486 
1 1 1 7   1  8  o 1119.428 13.64194 294.9919       7.183592  313.0042       10.66269  280.0213       9.720782  1152.557 19.66686 1090.212 18.95489 62.34558       27.31434 
1 1 1 7   1  9  o 590.0865 14.39591 81.99411       3.995987  91.91440       7.237914  77.64462       4.792593  624.0538 24.65597 574.0464 17.74820 50.00732       30.37952 
1 1 1 7   1  10 o 933.0710 15.30728 205.1360       6.718648  207.9304       8.267778  199.7028       11.52863  938.9910 18.71794 918.9690 26.66904 20.02203       32.58219 
1 1 1 7   1  11 o 539.6473 14.15045 68.62220       3.592109  73.08747       5.338249  64.92733       4.855951  556.3729 20.39687 524.4640 19.68291 31.90894       28.34518 
1 1 1 7   1  12 f 657.4329 13.90150 101.8261       4.299148  103.3862       6.112006  100.2983       6.048320  661.9080 19.62984 651.9380 19.72237 9.969971       27.82629 
1 1 1 7   1  13 o 1117.725 17.33490 294.4170       9.114346  295.4691       11.20580  292.3603       15.66682  1119.163 21.28532 1111.648 29.96019 7.515137       36.75157 
1 1 1 7   1  14 o 1564.741 17.61585 576.7308       12.96629  586.9312       18.67208  567.2310       18.01952  1577.294 25.16581 1550.683 24.70306 26.61072       35.26413 
1 1 1 7   1  15 o 1226.670 15.88387 354.2855       9.165441  346.6649       12.72668  362.4966       13.21065  1212.783 22.30809 1240.128 22.64585 -27.34436      31.78813 
1 1 1 7   1  16 o 573.3102 16.55338 77.39444       4.464220  77.89190       6.487049  76.94691       6.152915  574.7924 23.99202 571.3557 22.89313 3.436768       33.16191 
1 1 1 7   1  17 o 1736.588 22.31436 710.8784       18.22848  724.0919       22.71550  686.9799       30.54912  1751.633 27.56830 1703.533 38.12227 48.09924       47.04592 
1 1 1 7   1  18 f 871.0953 18.15266 178.7656       7.438327  177.2739       9.066389  181.8371       13.00978  867.0980 22.22782 877.0959 31.53216 -9.997925      38.57918 
1 1 1 7   1  19 o 351.1868 28.65697 29.33445       4.692834  23.74852       7.804150  32.49831       5.873353  310.6132 55.44573 368.9369 34.23269 -58.32367      65.16215 
1 1 1 7   1  20 o 223.2580 42.90490 12.25367       4.342203  18.37396       7.756046  9.459673       5.240436  270.8670 62.18580 195.8003 54.75696 75.06670       82.85770 
1 1 1 7   1  21 o 1264.470 17.70009 376.9875       10.52818  381.2626       15.01243  372.8500       14.76874  1270.032 25.12852 1255.975 24.99731 14.05750       35.44444 
1 1 1 7   1  22 o 456.0095 21.63271 49.13187       4.640386  49.54826       6.664969  48.74014       6.464610  455.7700 31.27656 452.1616 30.57305 3.608459       43.73711 
1 1 1 7   1  23 o 653.1312 19.04137 100.7850       5.850162  102.7476       8.339774  98.88374       8.208544  657.9796 26.94465 645.4701 27.03465 12.50952       38.16918 
1 1 1 7   1  24 o 175.9301 46.57107 7.796021       3.914545  5.966740       5.685136  9.445198       5.398021  164.3715 58.46189 193.2977 56.07968 -28.92616      81.01064 
1 1 1 7   1  25 o 159.2649 56.98472 5.643306       5.409154  3.299644       7.436871  8.275863       7.881912  157.2736 64.00380 189.8944 68.68393 -32.62080      93.88274 
1 1 1 7   1  26 o 437.7794 27.32898 46.06594       5.599791  59.51249       10.02536  39.96831       6.751108  489.9012 43.97149 404.4948 35.85228 85.40649       56.73516 
1 1 1 7   1  27 o 120.2699 45.80463 2.738988       3.591474  1.008449       5.095675  4.447206       5.062707  122.1298 51.60107 145.4745 54.61506 -23.34470      75.13638 
1 1 1 7   1  28 o 146.6824 47.54246 5.419015       3.747683  7.136098       5.546760  3.976755       5.083533  167.8018 57.89010 140.7967 54.27896 27.00508       79.35659 
1 1 1 7   1  29 o 168.1759 51.75024 7.523338       4.494236  12.07710       5.640183  -0.3965518     7.438193  209.4794 56.11103 133.4571 59.26572 76.02238       81.61418 
1 1 1 7   1  30 o 307.0459 30.02940 23.28915       4.281776  21.06856       6.145363  25.38423       5.969172  281.8441 48.07695 314.2524 41.38679 -32.40826      63.43705 
1 1 1 7   1  31 o 296.8943 33.91721 22.20366       4.651859  22.15048       5.786197  22.30083       7.822377  290.4981 43.69601 278.0729 61.43881 12.42517       75.39276 
1 1 1 7   1  32 o 97.18538 43.10041 -0.4594615     3.921146  -6.275268      6.278559  3.259423       5.020667  99.28503 47.49234 130.5828 52.78779 -31.29780      71.00756 
1 1 1 7   1  33 o 139.7996 46.29961 5.300546       3.546877  5.945824       5.161462  4.723190       4.882257  148.6823 55.27718 138.3564 53.23404 10.32594       76.74262 
1 1 1 7   1  34 o 149.4502 47.72424 6.419882       3.787076  9.580857       6.635487  4.892838       4.611988  172.3984 62.91772 136.1447 51.89267 36.25369       81.55666 
1 1 1 7   1  35 o 110.3332 46.43996 2.099831       4.102104  0.9007135      5.772165  3.323425       5.830781  115.0811 51.57978 127.3433 54.54624 -12.26220      75.07175 
1 1 1 7   1  36 o 120.0117 53.45389 2.443223       6.096264  2.443223       6.096264  0.000000       0.000000  120.0117 53.45389 ?        ?        0.000000       53.45389 
1 1 1 7   3  0  o 373.0480 9.835319 32.74406       1.725927  32.68118       2.485182  32.80265       2.398771  372.6140 14.17848 373.3163 13.65975 -0.7022705     19.68802 
1 1 1 7   3  1  o 486.4268 8.909808 55.66824       2.038709  55.17648       2.846455  56.18621       2.921343  484.2019 12.49708 488.6071 12.71023 -4.405243      17.82490 
1 1 1 7   3  2  o 1336.356 13.85739 420.3422       8.711099  439.4266       12.88828  404.2914       11.81967  1365.806 20.06027 1310.152 19.17848 55.65381       27.75299 
1 1 1 7   3  3  o 1742.157 17.19530 714.6647       14.09180  697.5616       19.38811  733.8181       20.51743  1720.275 23.95898 1764.291 24.72199 -44.01563      34.42688 
1 1 1 7   3  4  o 833.8938 12.69122 163.6540       4.978327  163.6282       6.132599  163.7039       8.525088  833.6960 15.63751 833.5281 21.74249 0.1679688      26.78185 
1 1 1 7   3  5  o 381.3153 11.90971 34.21729       2.136263  38.30973       3.119130  30.60160       2.931825  403.3745 16.43826 360.4973 17.28888 42.87720       23.85627 
1 1 1 7   3  6  o 1022.417 12.61910 246.0223       6.069125  243.9002       8.504669  248.2245       8.663614  1017.678 17.76552 1026.647 17.93943 -8.969421      25.24751 
1 1 1 7   3  7  o 1483.422 15.84597 518.1426       11.05739  521.8943       15.79943  514.5410       15.48048  1487.936 22.57293 1477.460 22.27406 10.47607       31.71232 
1 1 1 7   3  8  o 735.2634 12.15135 127.2475       4.202782  130.6668       6.117259  124.1907       5.783995  744.7808 17.46060 726.1231 16.93356 18.65765       24.32320 
1 1 1 7   3  9  o 690.7365 12.35469 112.3300       4.014335  116.8401       5.877021  108.3854       5.496333  704.0947 17.74422 678.1816 17.22891 25.91309       24.73242 
1 1 1 7   3  10 o 425.0168 14.29953 42.56024       2.858888  46.55706       4.222419  39.17702       3.884806  444.1422 20.21018 407.4182 20.27027 36.72397       28.62403 
1 1 1 7   3  11 o 1046.189 16.47360 258.0757       8.107145  250.2572       9.649214  276.8431       14.94965  1029.624 19.92251 1080.608 29.40989 -50.98438      35.52250 
1 1 1 7   3  12 o 1020.643 20.40764 245.8148       9.797972  245.8148       9.797972  0.000000       0.000000  1020.643 20.40764 ?        ?        0.000000       20.40764 
1 1 1 7   3  13 o 1171.878 17.62847 323.5772       9.717764  347.2057       18.14629  314.0760       11.50684  1211.474 31.84231 1154.087 21.19572 57.38647       38.25168 
1 1 1 7   3  14 o 239.8468 30.32095 13.79992       3.344524  12.56837       6.040393  14.34441       4.016380  225.2119 56.97446 243.6447 36.13907 -18.43286      67.46941 
1 1 1 7   3  15 o 1148.708 15.51613 310.6608       8.384217  314.7423       12.03746  306.8151       11.68456  1155.641 22.14331 1141.033 21.76933 14.60767       31.05205 
1 1 1 7   3  16 o 1477.082 17.47622 513.8030       12.14287  511.3742       17.22561  516.2020       17.12009  1472.635 24.86624 1479.611 24.59740 -6.975586      34.97659 
1 1 1 7   3  17 o 1824.620 19.90506 784.4470       17.08462  806.3731       24.85941  764.8219       23.51887  1848.182 28.59412 1800.124 27.77441 48.05872       39.86279 
1 1 1 7   3  18 o 159.5323 47.19548 6.142997       3.790195  9.432714       4.663386  -0.2592449     6.505611  195.3578 50.40891 134.2456 57.56259 61.11227       76.51477 
1 1 1 7   3  19 o 602.8290 17.52696 85.62530       4.970156  89.79404       7.063271  81.53681       6.994952  616.8189 24.34327 587.6935 25.30257 29.12543       35.11146 
1 1 1 7   3  20 o 436.9996 20.45288 45.04335       4.204407  39.32843       5.817702  51.29143       6.083028  406.4909 30.65053 464.9300 27.94371 -58.43915      41.47657 
1 1 1 7   3  21 o 340.1765 26.34405 27.53228       4.182696  26.53387       6.193479  28.36946       5.671393  331.2931 40.59146 343.7538 35.58846 -12.46066      53.98338 
1 1 1 7   3  22 o 124.9510 48.09407 2.550855       3.986124  -0.7309751     6.747428  4.310237       4.940379  133.2551 57.88408 147.7169 54.23188 -14.46182      79.32001 
1 1 1 7   3  23 o 437.0074 22.56759 45.33088       4.623368  41.41734       6.516863  49.29666       6.560212  415.3097 33.64698 454.0127 30.90097 -38.70300      45.68357 
1 1 1 7   3  24 o 332.5507 30.87333 26.63099       4.774493  26.89589       5.760044  26.04935       8.535043  332.4070 37.49211 319.5494 58.95227 12.85764       69.86436 
1 1 1 7   3  25 o 682.0757 21.55606 110.4559       6.916258  111.0368       8.483144  109.3044       11.94421  682.2606 26.43244 670.9478 38.00029 11.31281       46.28926 
1 1 1 7   3  26 o 377.0720 25.17560 34.11528       4.439866  36.83442       6.322697  31.47016       6.236037  388.4095 34.98065 357.7532 37.61933 30.65628       51.36983 
1 1 1 7   3  27 o 352.9924 30.63700 30.34949       5.036770  18.73960       8.355135  36.97725       6.312805  259.9274 67.67123 387.9491 34.96804 -128.0217      76.17191 
1 1 1 7   3  28 o 204.6240 47.07022 11.00527       4.436422  17.51189       7.731375  7.811086       5.417002  249.6768 65.14170 173.0407 57.21381 76.63614       86.69984 
1 1 1 7   3  29 o 309.7878 29.18606 23.55742       4.202998  26.66170       6.158038  20.85021       5.750720  323.2243 41.45679 283.6274 44.57289 39.59686       60.87206 
1 1 1 7   3  30 o 102.2788 45.44060 -0.7390998     4.377469  -1.247498      5.220486  0.4649228      8.033899  108.8756 48.90782 140.0467 61.92112 -31.17106      78.90628 
1 1 1 7   3  31 o 352.5612 36.91905 31.59102       6.032061  26.02259       8.497419  37.24733       8.564217  300.1745 62.22224 372.0243 50.22166 -71.84976      79.96138 
1 1 1 7   3  32 o 230.9057 36.40453 13.79404       3.823221  16.21335       5.320298  11.21063       5.497772  242.9934 48.24660 196.2686 56.49570 46.72482       74.29333 
1 1 1 7   3  33 o 100.9396 43.58435 0.5952772      3.779729  1.303508       6.586037  0.2474535      4.615476  127.8214 56.31268 107.1561 47.17796 20.66534       73.46345 
1 1 1 7   3  34 o 112.9464 45.65326 2.521507       3.754795  -3.802022      6.087846  6.403868       4.770149  101.9127 48.17300 148.6037 53.47669 -46.69096      71.97496 
1 1 1 7   3  35 o 181.7638 48.54769 10.02101       4.229430  11.26635       5.849127  8.656363       6.122895  182.0278 59.41682 160.7584 60.11896 21.26933       84.52602 
1 1 1 7   3  36 o 169.2153 61.10225 10.79965       6.234079  10.79965       6.234079  0.000000       0.000000  169.2153 61.10225 ?        ?        0.000000       61.10225 
1 1 1 7   5  0  o 1067.149 11.73345 267.9883       5.890062  283.4803       8.933844  256.0768       7.833758  1097.224 17.30907 1042.931 15.96780 54.29272       23.54941 
1 1 1 7   5  1  o 1594.262 15.91981 598.3764       11.93897  550.2379       21.92948  618.6553       14.23324  1526.835 30.53282 1620.761 18.66876 -93.92603      35.78793 
1 1 1 7   5  2  o 793.1645 10.29103 148.0266       3.839646  145.4968       5.328929  150.7581       5.537219  786.2062 14.40901 800.2818 14.70887 -14.07556      20.59054 
1 1 1 7   5  3  f 1620.228 18.65476 618.2576       14.21788  639.5419       18.14704  584.4233       22.87988  1647.250 23.41947 1573.444 30.91242 73.80566       38.78208 
1 1 1 7   5  4  o 752.0981 10.70613 133.1018       3.787706  130.8393       5.264969  135.5289       5.453241  745.5165 15.01306 758.7476 15.27876 -13.23102      21.42038 
1 1 1 7   5  5  o 301.2888 15.79322 21.43090       2.230531  19.99606       2.609665  25.32105       4.297001  290.7239 19.19042 326.3606 28.26892 -35.63669      34.16729 
1 1 1 7   5  6  o 635.4395 13.32193 95.04623       3.982085  103.9536       7.564958  91.63217       4.683451  663.9371 24.22202 623.8142 15.96031 40.12286       29.00755 
1 1 1 7   5  7  o 750.2559 13.85182 132.5222       4.888612  137.2176       9.059372  130.5933       5.806580  762.5537 25.25564 744.6162 16.57748 17.93750       30.21027 
1 1 1 7   5  8  o 742.2535 13.66239 129.7388       4.770329  131.0642       8.047141  129.0207       5.923289  745.2133 22.95576 739.9496 17.01733 5.263672       28.57545 
1 1 1 7   5  9  o 619.5312 12.55874 90.39207       3.659977  93.77159       5.310587  87.33472       5.051134  630.5834 17.90320 608.5788 17.64423 22.00464       25.13650 
1 1 1 7   5  10 o 307.5452 17.68609 22.38262       2.547868  20.40001       3.529976  24.53879       3.681242  292.4890 25.92489 321.2031 24.54973 -28.71411      35.70419 
1 1 1 7   5  11 o 245.4963 24.40194 14.38190       2.780643  13.85648       3.494828  15.28835       4.590316  239.7042 31.77757 250.2737 40.36356 -10.56955      51.37151 
1 1 1 7   5  12 o 1162.207 14.79853 318.1202       8.090425  326.9053       11.75861  310.2225       11.14890  1177.307 21.23229 1146.957 20.66404 30.34998       29.62791 
1 1 1 7   5  13 o 1886.950 19.80635 838.9818       17.58062  862.4748       25.67580  818.2455       24.12234  1911.307 28.55776 1861.900 27.54189 49.40649       39.67495 
1 1 1 7   5  14 o 521.5679 15.86988 64.04826       3.893620  67.68006       5.773003  61.01757       5.273639  535.8536 22.90268 508.8360 22.03248 27.01761       31.77991 
1 1 1 7   5  15 o 1834.245 27.74658 793.7514       23.94065  0.000000       0.000000  793.7514       23.94065  ?        ?        1834.245 27.74658 0.000000       27.74658 
1 1 1 7   5  16 o 919.7177 15.05088 199.1431       6.511570  193.4993       9.133764  204.9760       9.285616  906.1454 21.42805 932.6527 21.16516 -26.50732      30.11852 
1 1 1 7   5  17 o 1485.078 17.76834 519.4962       12.41268  503.9324       17.19215  536.4437       17.94008  1461.601 25.00531 1507.961 25.29094 -46.35986      35.56540 
1 1 1 7   5  18 o 1233.491 19.17081 358.5568       11.12361  374.3032       14.16605  333.2343       17.96437  1259.605 23.90811 1187.040 32.17194 72.56433       40.08281 
1 1 1 7   5  19 o 723.4192 16.46166 123.2924       5.601870  123.2428       7.944148  123.3414       7.900512  722.6691 23.36891 722.9723 23.23081 -0.3032227     32.95112 
1 1 1 7   5  20 o 344.4637 24.23825 28.16220       3.902450  23.09892       5.611417  32.90478       5.430809  309.2414 39.47558 371.4277 31.37646 -62.18631      50.42622 
1 1 1 7   5  21 o 752.5229 19.21001 133.6191       6.800123  121.4923       10.96380  141.2008       8.669017  715.4216 32.57840 772.9107 23.84357 -57.48907      40.37162 
1 1 1 7   5  22 o 667.2410 17.93194 105.0812       5.628328  103.4911       7.947670  106.6810       7.971699  660.9824 25.56116 671.1492 25.25006 -10.16681      35.92964 
1 1 1 7   5  23 o 361.2534 35.94286 31.53412       6.026832  31.53412       6.026832  0.000000       0.000000  361.2534 35.94286 ?        ?        0.000000       35.94286 
1 1 1 7   5  24 o 711.4500 20.84975 119.9499       6.977735  113.3111       8.333335  135.5232       12.76335  690.1473 25.66893 750.5959 36.14840 -60.44861      44.33510 
1 1 1 7   5  25 o 486.1922 21.84757 56.16645       4.996668  56.45538       6.936752  55.85487       7.203506  484.1796 30.61416 481.0648 32.01535 3.114716       44.29683 
1 1 1 7   5  26 o 110.2360 44.25957 1.630218       3.503422  -1.455048      4.887511  4.890858       5.024501  106.8819 47.71497 149.5372 54.72318 -42.65534      72.60403 
1 1 1 7   5  27 o 158.2768 48.94446 6.403703       4.014495  8.195601       6.617880  5.360409       5.049698  180.3155 63.17455 152.2831 54.99186 28.03246       83.75636 
1 1 1 7   5  28 o 198.0507 42.05795 10.15055       3.797210  10.30931       5.417444  9.997219       5.323909  195.0814 56.06039 192.3350 55.66254 2.746399       79.00054 
1 1 1 7   5  29 o 154.8333 47.38976 6.277900       3.774544  6.204070       5.250320  6.356877       5.430250  157.5938 56.16783 159.4377 57.09052 -1.843918      80.08840 
1 1 1 7   5  30 o 327.9902 31.76938 26.71352       4.840176  24.11636       5.866047  32.25327       8.567264  305.7073 41.89358 344.3188 54.72590 -38.61154      68.92021 
1 1 1 7   5  31 o 257.7036 33.94121 16.80883       4.014398  11.86467       5.474209  22.56103       5.904623  204.5075 55.49077 292.4686 44.30596 -87.96109      71.00875 
1 1 1 7   5  32 o 104.8246 43.12162 1.525636       3.421610  -1.901063      4.785399  5.109941       4.894211  99.38625 45.49614 143.1199 53.70491 -43.73362      70.38548 
1 1 1 7   5  33 o 227.1098 47.97584 14.52302       4.964756  0.000000       0.000000  14.52302       4.964756  ?        ?        227.1098 47.97584 0.000000       47.97584 
1 1 1 7   5  34 o 370.5551 26.83252 34.49406       4.645513  43.54935       7.929778  29.76240       5.732137  397.6966 43.07618 334.7119 37.02641 62.98477       56.80239 
1 1 1 7   5  35 o 136.9322 50.10289 5.531847       4.211655  9.521404       5.947431  1.518728       5.964967  166.7416 59.74297 118.3310 52.77766 48.41068       79.71640 
1 1 1 7   7  0  o 714.5959 9.495893 120.1494       3.192021  118.8396       4.675574  121.2927       4.368457  710.5364 13.98876 717.8740 12.93631 -7.337585      19.05344 
1 1 1 7   7  1  o 731.2296 10.13437 125.8146       3.485940  124.9128       5.122662  126.5925       4.757313  728.4224 14.95007 733.3541 13.79046 -4.931702      20.33915 
1 1 1 7   7  2  o 613.9216 11.41556 88.69600       3.296700  79.90488       5.928432  92.63139       3.966543  582.2883 21.64375 627.3269 13.44154 -45.03857      25.47797 
1 1 1 7   7  3  o 477.5051 9.906172 53.65154       2.225119  58.67585       3.189166  48.88565       3.106066  499.2690 13.57917 455.6919 14.49006 43.57712       19.85839 
1 1 1 7   7  4  o 713.8154 10.60673 119.9055       3.561530  115.6984       4.817466  124.9764       5.289023  701.0160 14.60903 728.5398 15.43309 -27.52380      21.25098 
1 1 1 7   7  5  f 948.0291 11.90663 211.5461       5.309820  209.4751       7.404917  213.7381       7.618058  943.0392 16.69249 952.5607 17.00131 -9.521423      23.82611 
1 1 1 7   7  6  o 1009.593 12.50961 239.9678       5.940999  251.0098       8.730288  230.4442       8.107878  1032.027 17.98326 988.9055 17.42943 43.12115       25.04361 
1 1 1 7   7  7  f 609.0876 12.90965 87.36582       3.698823  85.82046       5.911780  88.35993       4.741546  603.0722 20.83913 612.3038 16.46204 -9.231567      26.55689 
1 1 1 7   7  8  o 1001.817 15.31729 236.5352       7.218376  240.5470       13.24441  234.8401       8.609422  1007.907 27.93463 997.7821 18.34294 10.12463       33.41866 
1 1 1 7   7  9  o 313.6690 16.67624 23.26183       2.451750  23.31654       3.463929  23.20691       3.470677  313.2168 23.68514 312.4583 23.79189 0.7585754      33.57141 
1 1 1 7   7  10 o 491.4615 20.49253 56.98473       4.737558  56.98473       4.737558  0.000000       0.000000  491.4615 20.49253 ?        ?        0.000000       20.49253 
1 1 1 7   7  11 o 1126.595 14.42738 298.8720       7.645826  306.3871       11.04857  291.9658       10.59156  1139.975 20.60352 1112.871 20.23233 27.10449       28.87650 
1 1 1 7   7  12 o 435.9908 19.50549 44.78472       4.000401  43.59896       4.794174  47.50298       7.258747  429.3441 23.83137 446.8713 34.80559 -17.52722      42.18250 
1 1 1 7   7  13 o 2320.626 23.17662 1269.319       25.30024  1302.974       36.83969  1239.277       34.80669  2348.528 33.34656 2290.713 32.30149 57.81421       46.42607 
1 1 1 7   7  14 o 359.9803 22.09487 30.65063       3.723356  43.31154       6.546731  24.59735       4.526762  426.9880 32.84613 321.4083 30.29818 105.5798       44.68610 
1 1 1 7   7  15 o 1432.443 17.09499 483.1795       11.51901  486.8382       16.45852  479.6667       16.12722  1436.980 24.34841 1426.401 24.03525 10.57935       34.21313 
1 1 1 7   7  16 o 1001.749 15.37541 236.2739       7.245276  236.3932       10.29590  236.1569       10.19754  1001.463 21.85548 1000.981 21.65710 0.4813232      30.76836 
1 1 1 7   7  17 o 653.6962 18.25728 100.6732       5.614116  101.0302       7.126282  100.0892       9.114923  654.5238 23.14559 650.9003 29.76934 3.623474       37.70851 
1 1 1 7   7  18 o 609.7479 16.93653 87.58848       4.857849  90.14221       6.916575  85.10233       6.824423  618.0841 23.78889 600.5269 24.15818 17.55725       33.90470 
1 1 1 7   7  19 o 314.9000 31.03221 23.69408       4.537042  19.03664       5.362004  35.43401       8.513071  279.8778 42.02588 382.2975 48.42422 -102.4198      64.11770 
1 1 1 7   7  20 o 720.2834 17.05742 122.3035       5.779444  114.2814       8.082621  130.6963       8.267243  695.3888 24.70900 743.8070 23.62823 -48.41821      34.18813 
1 1 1 7   7  21 o 908.5060 16.90347 194.6675       7.223918  187.5448       10.18525  201.8773       10.24736  890.4194 24.31687 923.9741 23.57670 -33.55475      33.86991 
1 1 1 7   7  22 o 1196.634 21.03869 338.6156       11.84266  390.6064       23.63196  321.1807       13.68505  1276.662 39.35088 1164.133 24.99046 112.5287       46.61561 
1 1 1 7   7  23 o 635.5380 18.77646 95.51330       5.613381  103.8497       8.077807  87.72805       7.806197  661.0705 25.97625 607.2634 27.32707 53.80707       37.70324 
1 1 1 7   7  24 o 332.3824 27.03446 26.51023       4.190302  27.70594       5.819326  25.22267       6.038727  336.8994 37.34851 320.0497 41.05720 16.84967       55.50320 
1 1 1 7   7  25 o 245.5569 35.04688 14.85021       3.933424  15.93091       5.535010  13.74761       5.590814  249.7152 48.86966 230.3197 52.73895 19.39546       71.90021 
1 1 1 7   7  26 o 251.6604 33.44870 15.60338       3.861621  21.32766       5.456995  9.861611       5.465327  291.9599 40.85270 193.6225 56.50150 98.33736       69.72347 
1 1 1 7   7  27 o 592.9955 19.50480 83.75780       5.440794  93.74124       7.974078  75.06150       7.442307  623.6675 27.18054 556.7438 28.51298 66.92371       39.39253 
1 1 1 7   7  28 o 127.7996 50.11358 2.987483       4.390245  13.22533       8.188733  -1.142326      5.200887  215.4673 70.30131 110.2896 49.22972 105.1777       85.82447 
1 1 1 7   7  29 o 122.3270 48.11306 2.714177       4.058124  1.448559       5.026554  5.083235       6.877124  121.9923 51.38042 156.8170 62.32869 -34.82471      80.77631 
1 1 1 7   7  30 f 335.6067 27.21060 27.59276       4.258757  20.77925       5.551965  37.33295       6.638117  282.5001 43.14774 384.4068 37.17413 -101.9067      56.95300 
1 1 1 7   7  31 o 161.8200 50.03992 7.158069       4.196214  6.262602       4.793970  10.09215       8.677742  153.8888 53.77706 187.2310 71.22511 -33.34213      89.24678 
1 1 1 7   7  32 o 149.1452 47.76849 6.079796       3.791952  9.185494       6.549217  4.513634       4.650804  176.4003 62.74680 136.9738 52.13407 39.42645       81.57893 
1 1 1 7   7  33 o 127.0003 46.66849 4.074731       3.659645  10.54697       6.414460  0.9512892      4.456046  182.7500 62.27894 109.1206 47.21965 73.62943       78.15601 
1 1 1 7   7  34 o 179.3544 51.09608 9.747041       4.519468  7.907254       6.529844  11.43876       6.261578  158.8320 61.43768 185.0708 61.52791 -26.23877      86.94983 
1 1 1 7   7  35 o 157.9866 47.54785 7.643791       3.822604  10.96314       5.744544  5.005946       5.120987  177.9246 58.92246 133.3618 53.52241 44.56273       79.60217 
1 1 1 7   9  0  o 380.6136 8.463159 34.08723       1.515256  33.30095       2.185866  34.81459       2.102365  376.1083 12.35496 384.5809 11.62120 -8.472626      16.96164 
1 1 1 7   9  1  f 1009.911 20.87198 240.5173       9.915537  0.000000       0.000000  240.5173       9.915537  ?        ?        1009.911 20.87198 0.000000       20.87198 
1 1 1 7   9  2  o 1452.063 14.87025 496.6158       10.15717  478.0024       20.18418  502.9277       11.75387  1421.479 30.18571 1460.930 17.10339 -39.45117      34.69442 
1 1 1 7   9  3  o 765.5145 10.84152 137.9415       3.904029  132.7289       8.208630  139.4652       4.438104  749.8262 23.27238 769.6447 12.25852 -19.81848      26.30351 
1 1 1 7   9  4  o 576.6735 10.28788 78.27921       2.790777  78.71738       3.833971  77.78540       4.070114  578.0825 14.09904 574.5897 15.05842 3.492859       20.62860 
1 1 1 7   9  5  o 728.3723 12.24491 124.9338       4.195449  119.8573       6.404212  128.7504       5.552947  712.7937 19.09997 739.0959 15.97178 -26.30225      24.89792 
1 1 1 7   9  6  o 339.6472 16.08357 27.19247       2.569685  26.44768       3.418592  28.15993       3.896242  333.9451 21.88322 344.3223 24.20932 -10.37726      32.63382 
1 1 1 7   9  7  o 508.0849 12.04334 60.78849       2.878410  65.06205       4.105354  56.65631       4.036882  525.3634 16.61198 490.1924 17.50694 35.17099       24.13402 
1 1 1 7   9  8  o 951.6669 12.80825 213.2619       5.733821  210.5339       8.044424  216.0792       8.174843  945.0143 18.09619 957.3721 18.15220 -12.35779      25.63152 
1 1 1 7   9  9  o 535.8754 15.96973 67.63938       4.025601  74.13794       8.207952  65.58110       4.619330  559.0043 31.34043 527.5212 18.61529 31.48309       36.45204 
1 1 1 7   9  10 o 524.0250 15.20930 64.65480       3.749131  63.17944       4.783840  67.00357       6.035983  517.8297 19.63905 533.0361 24.07255 -15.20648      31.06734 
1 1 1 7   9  11 o 1523.359 16.87222 546.4257       12.09049  556.5530       17.41354  536.9995       16.80001  1536.515 24.09245 1509.344 23.66204 27.17163       33.76889 
1 1 1 7   9  12 o 1527.794 17.05438 549.5890       12.25661  545.4008       17.17920  553.9311       17.49195  1521.156 24.00821 1532.971 24.25688 -11.81555      34.12903 
1 1 1 7   9  13 o 349.7695 23.40953 28.96145       3.829389  29.45736       4.560819  27.77646       7.050168  352.3091 27.74459 339.4301 45.28451 12.87897       53.10790 
1 1 1 7   9  14 o 1083.688 15.13846 276.4667       7.717120  281.9660       11.15267  271.4148       10.68938  1093.890 21.67384 1073.274 21.17251 20.61609       30.29902 
1 1 1 7   9  15 o 1466.400 17.31392 506.4196       11.94310  505.3398       16.91673  507.4925       16.86359  1463.869 24.56658 1467.004 24.43709 -3.134766      34.65096 
1 1 1 7   9  16 o 834.6328 15.29122 164.0293       6.003533  165.9148       8.759849  162.3593       8.244154  838.8911 22.19840 829.9476 21.11670 8.943542       30.63795 
1 1 1 7   9  17 o 773.7064 15.52319 140.9819       5.649714  137.1324       7.987015  144.8369       7.992792  762.5404 22.26652 783.7234 21.68036 -21.18298      31.07790 
1 1 1 7   9  18 o 696.5076 16.34807 114.2935       5.356262  111.3145       7.544750  117.3205       7.605410  686.7706 23.35414 705.0980 22.92999 -18.32745      32.72919 
1 1 1 7   9  19 o 1189.980 16.85823 333.7602       9.436718  340.2749       13.67096  327.8309       13.04230  1200.195 24.21463 1178.187 23.53264 22.00842       33.76587 
1 1 1 7   9  20 o 805.2598 23.37644 153.2679       8.854902  163.3472       12.15141  141.8549       12.93029  829.7404 31.13258 772.2001 35.59666 57.54028       47.29016 
1 1 1 7   9  21 o 470.4859 20.13072 52.30197       4.455282  45.05655       6.268964  59.69608       6.332963  434.2850 30.88819 501.0291 26.96974 -66.74408      41.00545 
1 1 1 7   9  22 o 227.0638 36.05021 12.63396       3.721891  8.629282       5.288935  16.56266       5.238525  186.1430 55.90783 258.3637 44.72238 -72.22069      71.59453 
1 1 1 7   9  23 o 292.5948 35.91016 20.87018       4.838827  20.19025       9.222708  21.12844       5.683984  276.1744 70.69254 292.4113 42.57238 -16.23691      82.52177 
1 1 1 7   9  24 o 367.3878 24.69465 32.29251       4.242936  37.09848       6.107393  27.80912       5.898873  391.2233 33.50993 336.8792 37.88120 54.34406       50.57570 
1 1 1 7   9  25 o 206.2929 38.04138 10.67058       3.555551  11.33709       5.150424  10.06373       4.914487  208.4610 52.54079 196.6056 52.24677 11.85541       74.09629 
1 1 1 7   9  26 o 437.6242 30.72420 46.53966       6.284778  46.84899       8.225686  46.10583       9.741344  433.8750 40.78165 424.9153 49.67318 8.959686       64.26949 
1 1 1 7   9  27 o 287.9125 29.70686 20.29333       3.965526  19.23496       5.550266  21.39699       5.667780  273.7294 44.64358 289.8914 42.85491 -16.16202      61.88370 
1 1 1 7   9  28 o 87.27949 39.36935 -1.366600      3.423663  0.1274534E-01  4.901252  -2.680981      4.784442  112.9504 49.19798 98.38248 45.20368 14.56792       66.81178 
1 1 1 7   9  29 o 73.94075 35.97237 -6.406253      3.991217  -12.39299      7.265681  -3.818985      4.776416  95.74284 46.99092 93.13911 43.59887 2.603722       64.10155 
1 1 1 7   9  30 o 240.4120 33.85796 14.59558       3.722941  9.350861       5.201468  20.10476       5.330990  183.1614 55.54091 278.1018 42.06468 -94.94038      69.67230 
1 1 1 7   9  31 o 338.0275 30.05109 28.45591       4.728554  20.95125       7.842515  32.74241       5.927083  265.0256 63.69659 358.8882 35.57728 -93.86267      72.95889 
1 1 1 7   9  32 o 143.1668 53.55437 5.268252       4.859369  0.4334126      6.308695  12.32164       7.619868  122.7859 54.55127 196.3104 67.84414 -73.52448      87.05554 
1 1 1 7   9  33 o 172.0363 53.37914 8.867554       4.770373  4.066588       6.777191  13.58205       6.715880  140.1842 59.38437 203.9241 63.34569 -63.73999      86.82845 
1 1 1 7   9  34 o 75.31995 36.23256 -4.268880      3.773107  -4.898930      5.162451  -3.546374      5.528272  88.71329 42.60089 96.51552 45.70659 -7.802231      62.48142 
1 1 1 7   9  35 o 276.9526 35.36519 20.87419       4.502157  20.95720       6.358344  20.79073       6.375716  255.0716 54.63831 253.4459 55.05344 1.625687       77.56433 
1 1 1 7   11 0  o 1150.745 12.34905 311.8448       6.684699  316.1498       9.601448  307.7950       9.312363  1157.912 17.62754 1142.559 17.32655 15.35339       24.71719 
1 1 1 7   11 1  o 207.6000 12.33549 10.18487       1.199213  14.45843       2.232311  8.451249       1.421794  246.8073 19.38363 188.6684 16.17666 58.13893       25.24697 
1 1 1 7   11 2  o 487.3563 10.65872 55.91406       2.443548  55.20214       5.653775  56.07759       2.709697  482.6366 24.98846 488.0190 11.80361 -5.382416      27.63600 
1 1 1 7   11 3  o 997.5618 13.83885 234.3915       6.493955  234.2747       12.21741  234.4375       7.666667  995.4928 26.08985 997.3779 16.34096 -1.885071      30.78486 
1 1 1 7   11 4  o 656.7858 13.48649 101.5888       4.166697  107.5505       8.150202  99.47924       4.848159  674.6441 25.68173 649.7705 15.86162 24.87360       30.18514 
1 1 1 7   11 5  o 182.9164 18.23993 7.964139       1.548511  9.874525       2.003580  5.130208       2.440285  203.5084 21.24239 144.2873 36.05536 59.22110       41.84768 
1 1 1 7   11 6  o 404.1108 11.86477 38.43927       2.255430  34.47635       2.985584  43.70725       3.442259  382.5724 16.58999 430.7387 16.98871 -48.16629      23.74540 
1 1 1 7   11 7  o 460.7675 12.17957 49.96896       2.639873  52.86353       3.635124  46.73895       3.839981  473.7966 16.31015 445.4341 18.32636 28.36252       24.53318 
1 1 1 7   11 8  o 1294.254 14.71783 394.3290       8.960505  404.8631       12.95800  384.6760       12.40427  1310.832 21.01462 1277.774 20.63706 33.05725       29.45340 
1 1 1 7   11 9  o 436.7393 15.03981 44.90007       3.089825  40.42593       3.800239  53.62664       5.307348  414.2907 19.50008 477.0038 23.65302 -62.71304      30.65483 
1 1 1 7   11 10 o 712.0170 15.61955 119.3420       5.231524  124.4649       10.20731  117.5168       6.092582  726.3104 29.87583 706.4369 18.33406 19.87347       35.05286 
1 1 1 7   11 11 o 936.9282 13.75293 206.6054       6.061372  197.7865       8.211053  217.1659       8.985328  916.4335 19.04709 960.2255 19.89259 -43.79199      27.54100 
1 1 1 7   11 12 o 674.6304 15.37183 107.1397       4.878213  102.7943       7.592599  110.1945       6.366021  660.3676 24.44192 683.9845 19.78575 -23.61688      31.44652 
1 1 1 7   11 13 o 627.6160 16.27583 92.74407       4.805145  97.70235       6.329445  85.99882       7.382436  643.9539 20.89496 603.8680 25.98893 40.08588       33.34702 
1 1 1 7   11 14 o 2336.052 27.30339 1287.695       30.00325  1281.333       36.29423  1301.427       53.32098  2328.491 33.13550 2340.352 48.43370 -11.86060      58.68377 
1 1 1 7   11 15 o 2572.547 25.51267 1561.456       30.87369  1570.403       43.94180  1552.733       43.38747  2575.788 36.26589 2561.370 36.00997 14.41846       51.10707 
1 1 1 7   11 16 f 1088.631 15.78533 279.1181       8.083580  282.0797       11.43821  276.1631       11.42562  1093.665 22.23333 1082.106 22.44608 11.55847       31.59347 
1 1 1 7   11 17 o 577.3580 20.05548 78.59901       5.446876  74.37575       10.77098  80.05012       6.313682  557.8903 41.33694 582.4301 23.04462 -24.53986      47.32650 
1 1 1 7   11 18 o 754.7017 16.11109 134.2192       5.719652  138.2919       8.311058  130.5547       7.883487  765.3024 23.08628 743.6536 22.53608 21.64874       32.26223 
1 1 1 7   11 19 o 333.3175 27.12646 26.47171       4.216350  44.94650       7.407793  17.61842       5.128040  433.0762 36.70807 268.5545 41.96605 164.5218       55.75510 
1 1 1 7   11 20 o 655.3912 17.45634 101.3646       5.381745  102.9368       7.854923  99.97363       7.388361  659.2445 25.32947 649.8896 24.16791 9.354858       35.00957 
1 1 1 7   11 21 o 620.9619 17.76545 91.07717       5.189319  92.56837       7.456697  89.67667       7.226334  624.6522 25.37692 614.8995 24.98300 9.752686       35.61093 
1 1 1 7   11 22 o 218.3897 39.73726 11.83852       3.931859  14.90291       5.094570  7.324614       6.183174  243.8549 46.10172 177.2322 61.12227 66.62271       76.55913 
1 1 1 7   11 23 o 448.7943 20.37031 47.76217       4.300454  49.98214       6.310110  45.83678       5.876533  456.1514 29.56678 436.9994 28.74763 19.15201       41.23858 
1 1 1 7   11 24 f 485.0358 19.61155 55.83809       4.474607  57.32553       6.469087  54.47364       6.195853  488.3070 28.28424 476.1466 27.78313 12.16034       39.64720 
1 1 1 7   11 25 o 340.4925 27.27636 28.00522       4.332134  24.13793       6.957654  30.45377       5.536230  306.6331 49.95652 352.7550 33.77643 -46.12195      60.30340 
1 1 1 7   11 26 o 251.0564 33.63169 15.61030       3.871994  13.99803       5.512898  17.17993       5.439493  230.0165 52.15275 258.1143 46.51072 -28.09776      69.87959 
1 1 1 7   11 27 o 238.4015 34.85136 14.21233       3.792959  14.65549       5.174126  13.69756       5.576560  236.2675 48.18769 225.8636 53.33908 10.40396       71.88261 
1 1 1 7   11 28 o 309.6077 47.20599 24.97433       6.657574  20.04162       9.194768  30.41023       9.652354  260.3391 72.43441 329.2907 64.62148 -68.95160      97.07049 
1 1 1 7   11 29 o 168.1279 54.35118 7.593502       4.900400  0.000000       0.000000  7.593502       4.900400  ?        ?        168.1279 54.35118 0.000000       54.35118 
1 1 1 7   11 30 f 94.03557 40.65744 0.1360333      3.297951  -3.018637      4.631541  3.380735       4.697166  93.84126 43.59546 130.7333 51.65334 -36.89207      67.59165 
1 1 1 7   11 31 f 153.5526 47.63911 6.443549       3.799699  2.958680       6.512810  8.241812       4.678446  137.9102 58.30630 170.7830 52.84127 -32.87277      78.68814 
1 1 1 7   11 32 o 174.7481 45.16817 8.527840       3.739926  7.244353       6.171611  9.272690       4.701510  159.8071 60.24030 178.1661 52.52327 -18.35898      79.92238 
1 1 1 7   11 33 o 204.3540 44.84686 11.82678       4.192723  16.13258       5.877757  7.366231       5.982440  230.0678 55.04786 156.5584 59.23867 73.50946       80.86710 
1 1 1 7   11 34 f 119.8101 45.86304 3.699478       3.612197  6.480381       5.312291  1.307967       4.926349  145.5830 55.64467 111.1929 48.85293 34.39004       74.04687 
1 1 1 7   13 0  o 1139.149 14.11927 305.4727       7.565923  323.7804       9.901615  279.7860       11.72855  1172.478 17.95279 1089.443 22.88602 83.03479       29.08733 
1 1 1 7   13 1  o 1314.873 13.76804 406.9623       8.515791  414.6248       12.37425  400.0683       11.73728  1326.624 19.82904 1303.202 19.14637 23.42249       27.56400 
1 1 1 7   13 2  o 787.7405 10.82543 146.0206       4.011414  153.2735       6.412026  141.3564       5.141931  806.7892 16.89530 774.9277 14.10573 31.86151       22.00961 
1 1 1 7   13 3  o 338.0312 10.97494 26.88790       1.745132  37.36623       5.623167  25.77111       1.835776  396.7217 30.36235 330.9247 11.79292 65.79703       32.57215 
1 1 1 7   13 4  o 657.4653 12.07191 101.7232       3.733516  108.3234       8.389378  100.0932       4.169122  677.7725 26.31337 652.1293 13.59069 25.64319       29.61588 
1 1 1 7   13 6  o 746.5002 13.43603 131.1489       4.718133  134.6971       5.533566  121.7004       9.029907  756.4525 15.55085 718.4584 26.71852 37.99414       30.91453 
1 1 1 7   13 7  o 1411.725 15.32356 469.1139       10.17605  475.6212       14.48436  462.7714       14.29964  1420.930 21.66992 1401.602 21.68858 19.32788       30.65909 
1 1 1 7   13 8  o 205.3121 21.82272 10.04189       2.075313  8.518999       2.556531  12.98454       3.553748  187.7246 29.95791 232.1614 33.51093 -44.43678      44.94951 
1 1 1 7   13 9  o 794.0121 12.50161 148.3626       4.669416  146.0601       6.457585  150.8857       6.759886  787.6294 17.42926 800.5094 17.95162 -12.88000      25.02078 
1 1 1 7   13 10 o 566.6774 13.18148 75.57558       3.513738  76.56818       4.881130  74.50800       5.062166  570.2258 18.19718 562.4669 19.13243 7.758911       26.40430 
1 1 1 7   13 11 o 358.0243 21.21424 30.30585       3.556878  26.22474       7.030849  31.70960       4.123465  329.3576 46.68776 365.9832 24.08603 -36.62555      52.53460 
1 1 1 7   13 12 o 518.2173 15.54021 63.22601       3.788245  62.09870       5.635150  64.15555       5.117026  513.2560 23.34007 521.8052 20.84682 -8.549194      31.29456 
1 1 1 7   13 13 o 717.5201 13.96035 121.1962       4.711938  121.6011       6.641922  120.7859       6.685668  718.4081 19.65410 715.9836 19.85054 2.424438       27.93435 
1 1 1 7   13 14 o 476.2714 16.43287 53.42350       3.681606  56.00540       5.153094  50.73155       5.261762  487.3593 22.47758 463.1227 24.23696 24.23654       33.05558 
1 1 1 7   13 15 o 1064.141 17.21743 266.7835       8.618600  259.1630       10.45264  282.9667       15.23241  1048.384 21.19515 1094.167 29.59482 -45.78345      36.40175 
1 1 1 7   13 16 o 465.9264 17.71949 51.16221       3.883629  46.87172       5.352068  55.93374       5.644123  444.7361 25.69234 486.0783 24.76639 -41.34222      35.68571 
1 1 1 7   13 17 o 1268.790 16.75978 379.4386       10.00294  378.6292       14.09320  380.2603       14.19999  1266.103 23.66308 1268.798 23.79175 -2.695190      33.55576 
1 1 1 7   13 18 o 353.0547 28.26306 29.71578       4.654511  18.29370       10.00342  32.87191       5.258400  268.0402 75.89912 371.0755 30.39120 -103.0353      81.75758 
1 1 1 7   13 19 o 471.8805 20.60617 52.61942       4.574025  58.35315       7.577633  49.33275       5.737104  494.1066 32.78819 455.3786 26.90190 38.72800       42.41199 
1 1 1 7   13 20 o 185.5442 44.19881 8.631540       3.802628  7.524104       4.969357  10.19620       5.906770  175.3166 54.49490 201.3002 58.73823 -25.98367      80.12411 
1 1 1 7   13 21 o 325.1525 35.77135 25.66345       5.380837  25.66345       5.380837  0.000000       0.000000  325.1525 35.77135 ?        ?        0.000000       35.77135 
1 1 1 7   13 22 o 465.4708 20.37472 51.36563       4.461216  64.25484       6.555176  40.24511       6.088829  518.3942 26.97475 408.4981 31.94071 109.8961       41.80725 
1 1 1 7   13 23 o 311.3237 31.34872 23.52452       4.528482  23.00535       9.112612  23.69478       5.218462  292.9123 67.51958 310.8263 36.37887 -17.91406      76.69625 
1 1 1 7   13 24 o 389.1738 27.52978 36.51522       5.007306  28.06481       9.751348  39.54137       5.835407  322.4186 66.50276 403.7760 30.95863 -81.35739      73.35567 
1 1 1 7   13 25 o 187.6548 40.99333 9.012160       3.517362  14.35808       5.266217  4.706584       4.726103  234.7383 49.26261 145.3395 53.09059 89.39880       72.42524 
1 1 1 7   13 26 o 141.1971 45.41249 4.980649       3.424403  7.757188       4.961892  2.455475       4.731960  172.3694 54.58350 127.3909 51.33518 44.97848       74.93103 
1 1 1 7   13 27 o 95.45807 42.18554 -0.6892946     3.724345  -3.837017      4.722586  4.488704       6.057070  92.97935 43.46949 149.9826 58.84727 -57.00323      73.16145 
1 1 1 7   13 28 f 257.1202 31.47796 16.40805       3.727741  15.67434       5.257556  17.14978       5.286205  243.4950 47.60733 256.1075 45.54769 -12.61250      65.88665 
1 1 1 7   13 29 o 271.2787 29.58420 18.22377       3.714036  21.94334       5.396697  14.87692       5.119166  292.0810 40.35662 235.5887 47.82636 56.49236       62.57809 
1 1 1 7   13 30 o 90.35689 41.96373 -2.782849      4.285982  0.000000       0.000000  -2.782849      4.285982  ?        ?        90.35689 41.96373 0.000000       41.96373 
1 1 1 7   13 31 o 233.1419 35.84792 14.09874       3.805550  19.41736       6.448573  11.25668       4.713910  260.0066 54.46855 199.2141 50.29512 60.79250       74.13786 
1 1 1 7   13 32 o 113.6881 45.57827 2.544973       3.709320  2.825208       5.258997  2.267539       5.232644  126.0008 52.78453 122.5302 52.05699 3.470520       74.13593 
1 1 1 7   13 33 o 141.6082 54.90185 5.648038       5.223735  5.648038       5.223735  0.000000       0.000000  141.6082 54.90185 ?        ?        0.000000       54.90185 
1 1 1 7   15 0  o 1173.886 12.76176 324.2765       7.047024  318.1958       9.664616  331.1797       10.29745  1162.552 17.67269 1185.981 18.45793 -23.42822      25.55424 
1 1 1 7   15 1  o 957.3575 11.51503 215.6599       5.185712  216.4960       7.313232  214.8143       7.354348  959.0146 16.21119 955.2749 16.36615 3.739746       23.03592 
1 1 1 7   15 2  f 594.4951 10.69013 83.15573       2.989515  84.93337       4.668564  81.92018       3.892175  600.6658 16.52271 589.9854 14.02432 10.68036       21.67213 
1 1 1 7   15 3  o 1201.902 15.49003 340.0208       8.757708  368.6088       17.72836  330.7925       10.07252  1250.092 30.14792 1185.318 18.06483 64.77368       35.14592 
1 1 1 7   15 4  o 1155.407 18.04067 314.3109       9.805212  0.000000       0.000000  314.3109       9.805212  ?        ?        1155.407 18.04067 0.000000       18.04067 
1 1 1 7   15 5  o 1022.435 14.53627 246.0414       6.991297  266.3496       14.74822  240.1550       7.940131  1062.658 29.50372 1010.019 16.71202 52.63940       33.90813 
1 1 1 7   15 6  o 1210.947 16.42650 345.2089       9.357067  356.1237       18.25633  341.3200       10.89723  1228.448 31.59275 1203.905 19.24220 24.54248       36.99141 
1 1 1 7   15 7  o 1069.927 21.27963 269.6687       10.70995  278.6861       15.62744  261.6826       14.70676  1086.760 30.56928 1053.182 29.68550 33.57788       42.61115 
1 1 1 7   15 8  o 658.1750 11.57880 101.9376       3.584877  109.4532       5.125973  94.74267       5.015398  681.8560 15.98138 634.3513 16.80762 47.50464       23.19269 
1 1 1 7   15 9  o 648.8826 11.89619 99.08503       3.631142  98.86568       4.947191  99.34120       5.346437  648.0121 16.22954 649.5151 17.49870 -1.503052      23.86635 
1 1 1 7   15 10 f 954.2556 13.11957 214.3264       5.889165  210.8280       8.075732  218.3000       8.606676  946.1302 18.14520 962.6871 19.00557 -16.55688      26.27661 
1 1 1 7   15 11 o 848.1727 14.45126 169.3596       5.765797  167.7170       8.831030  170.5801       7.612192  843.5144 22.25612 850.9354 19.01708 -7.421021      29.27430 
1 1 1 7   15 12 f 1294.874 18.48254 395.0138       11.25793  418.2521       21.78163  386.5432       13.15066  1329.620 34.82518 1280.497 21.83230 49.12305       41.10283 
1 1 1 7   15 13 o 798.0775 13.68955 149.9569       5.139295  150.9584       7.075232  148.8383       7.477566  800.3820 18.79205 794.6416 20.00413 5.740417       27.44642 
1 1 1 7   15 14 o 1222.464 17.50994 352.1419       10.06908  343.2541       12.31171  370.0952       17.49815  1206.339 21.69600 1251.056 29.73351 -44.71631      36.80758 
1 1 1 7   15 15 o 1217.989 15.89630 349.5371       9.107698  342.7516       12.47592  357.2795       13.32658  1205.134 22.00737 1230.211 23.02872 -25.07788      31.85351 
1 1 1 7   15 16 o 357.8575 20.54282 30.32374       3.443625  31.89041       4.720045  28.54083       5.035267  366.0521 27.61488 345.5707 31.31551 20.48141       41.75216 
1 1 1 7   15 17 o 818.0387 19.72886 157.9964       7.591809  159.2450       14.35129  157.5112       8.946033  817.2518 37.33068 816.1671 23.30140 1.084656       44.00608 
1 1 1 7   15 18 o 506.3603 17.39318 60.51965       4.142934  57.91024       5.831295  63.17923       5.887091  493.7384 25.19103 516.5090 24.23001 -22.77054      34.95256 
1 1 1 7   15 19 o 575.3059 20.74085 78.31169       5.612996  84.66113       11.79392  76.45240       6.382124  591.0923 42.70378 567.8840 23.89111 23.20831       48.93259 
1 1 1 7   15 20 o 526.1443 17.84549 65.44971       4.416749  70.34653       6.404521  61.00878       6.099116  544.1101 25.02249 505.9400 25.71160 38.17014       35.87773 
1 1 1 7   15 21 o 371.9144 21.37273 32.92426       3.723428  32.56896       5.290461  33.27299       5.241329  367.5363 30.88655 371.7007 30.23847 -4.164307      43.22435 
1 1 1 7   15 22 o 300.5597 31.02934 21.92155       4.323924  20.12611       4.982789  27.39596       8.700702  285.6552 38.02654 324.7603 59.13226 -39.10504      70.30392 
1 1 1 7   15 23 o 268.9359 28.59306 17.55533       3.561769  11.76706       5.088413  23.11587       4.987314  212.5114 51.45144 306.7792 35.19685 -94.26778      62.33834 
1 1 1 7   15 24 f 296.3755 26.12216 21.22753       3.604597  23.66072       5.234050  19.03239       4.971425  309.1911 36.70350 275.8239 39.43880 33.36725       53.87547 
1 1 1 7   15 25 o 187.9489 44.90981 9.173661       3.916316  5.484543       8.195644  10.26532       4.458265  169.4224 67.81028 197.8793 48.31527 -28.45685      83.26224 
1 1 1 7   15 26 o 341.3377 25.97052 28.21197       4.138699  33.24094       5.559199  21.95898       6.198928  367.8219 32.46267 291.5898 46.77464 76.23212       56.93586 
1 1 1 7   15 27 o 175.6346 43.68895 8.090331       3.594657  5.656957       5.743834  9.656992       4.608769  155.9508 58.24652 189.7002 50.68311 -33.74944      77.21033 
1 1 1 7   15 28 o 92.17869 42.81392 -3.083994      4.463126  -3.083994      4.463126  0.000000       0.000000  92.17869 42.81392 ?        ?        0.000000       42.81392 
1 1 1 7   15 29 o 157.6792 45.63538 6.676483       3.578474  -0.4036861E-01 5.742710  10.94017       4.575377  118.7561 52.43761 199.8956 49.03017 -81.13950      71.78899 
1 1 1 7   15 30 f 130.3969 45.30420 4.316529       3.399983  -3.139120      5.160772  10.03421       4.519410  98.34823 45.79881 189.0213 50.04155 -90.67306      67.83574 
1 1 1 7   15 31 o 255.6287 38.03090 17.22444       4.433845  0.000000       0.000000  17.22444       4.433845  ?        ?        255.6287 38.03090 0.000000       38.03090 
1 1 1 7   15 32 o 196.2431 42.28347 10.72747       3.788152  13.45720       5.753440  8.638526       5.033051  207.3244 57.15286 167.7538 55.13369 39.57059       79.41142 
1 1 1 7   17 0  o 1318.394 13.89914 409.0957       8.619902  398.7174       11.75465  421.1694       12.67846  1301.161 19.20478 1337.206 20.15576 -36.04480      27.84023 
1 1 1 7   17 1  f 1119.128 17.98966 294.9125       9.470479  0.000000       0.000000  294.9125       9.470479  ?        ?        1119.128 17.98966 0.000000       17.98966 
1 1 1 7   17 2  o 1253.366 13.82897 369.7342       8.153371  360.6241       11.36813  379.3845       11.70026  1237.412 19.53014 1269.185 19.59752 -31.77246      27.66748 
1 1 1 7   17 3  o 883.3468 16.10933 183.6988       6.693880  0.000000       0.000000  183.6988       6.693880  ?        ?        883.3468 16.10933 0.000000       16.10933 
1 1 1 7   17 4  o 1702.117 20.14504 682.4398       16.12973  753.2700       32.46627  659.2278       18.58570  1784.710 38.67189 1672.454 23.62412 112.2567       45.31682 
1 1 1 7   17 5  o 468.7601 9.989399 51.70162       2.202720  50.00000       7.273837  51.87342       2.311244  458.8310 33.94175 469.5296 10.46438 -10.69861      35.51824 
1 1 1 7   17 6  o 645.6042 10.23163 98.07320       3.107280  104.5779       9.388454  97.27303       3.292859  665.6348 29.98394 642.9477 10.88750 22.68713       31.89944 
1 1 1 7   17 7  o 151.0397 20.43432 5.472489       1.414572  10.24673       5.774366  5.167683       1.459030  204.5540 57.57563 146.4875 21.84119 58.06645       61.57914 
1 1 1 7   17 8  o 710.4957 15.45973 118.8536       5.166931  106.5696       9.702537  123.7163       6.104536  671.7543 30.70475 724.7562 17.90570 -53.00195      35.54428 
1 1 1 7   17 9  o 212.9772 20.88004 10.79224       2.064962  9.919518       2.186414  17.99941       6.283147  203.7998 23.22116 270.6757 51.22274 -66.87592      56.24047 
1 1 1 7   17 10 o 181.9941 28.30136 8.005167       2.344168  8.692753       2.529279  3.816885       6.242395  189.6479 29.29575 155.5797 60.10073 34.06816       66.86060 
1 1 1 7   17 11 o 1001.229 16.62552 236.1385       7.830292  235.0773       14.99485  236.5363       9.181606  996.9327 31.97473 1001.787 19.48381 -4.854675      37.44332 
1 1 1 7   17 12 o 628.9252 13.18629 93.13266       3.901134  93.93112       5.351268  92.22698       5.699232  631.3227 18.01922 625.4725 19.37041 5.850159       26.45572 
1 1 1 7   17 13 o 756.7018 17.24582 134.9557       6.138722  137.0095       12.26587  134.2694       7.090617  760.1089 34.30468 754.5074 19.97796 5.601501       39.69798 
1 1 1 7   17 14 o 164.3097 34.70463 6.650148       2.598272  5.741066       3.372593  7.977587       4.075393  153.3350 44.28152 179.3524 47.53793 -26.01743      64.96698 
1 1 1 7   17 15 o 538.0800 15.40914 68.25046       3.900270  69.37024       5.336362  66.96629       5.714680  541.9640 20.93175 532.2835 22.82336 9.680481       30.96844 
1 1 1 7   17 16 o 623.4714 15.15815 91.65755       4.445617  90.62112       6.021814  92.89906       6.590739  619.2659 20.67192 626.7525 22.35469 -7.486572      30.44767 
1 1 1 7   17 17 o 261.7703 25.78540 16.40668       3.133919  17.03924       4.506758  15.81440       4.360900  264.3650 37.27480 254.4377 37.56535 9.927277       52.92038 
1 1 1 7   17 18 o 237.4365 27.71374 13.58559       3.037124  12.88391       4.153301  14.39204       4.452586  228.2111 40.15525 241.3707 40.66077 -13.15958      57.14668 
1 1 1 7   17 19 o 395.0379 19.12272 36.93423       3.553512  37.74126       5.037440  36.13485       5.013495  397.1941 27.12325 388.4904 27.61397 8.703735       38.70662 
1 1 1 7   17 20 o 407.4998 19.16640 39.34073       3.673984  39.00024       5.172908  39.68731       5.218996  403.3204 27.42858 406.8748 27.42828 -3.554352      38.78966 
1 1 1 7   17 21 o 461.7074 18.76702 50.54039       4.075974  60.84494       6.105422  42.25512       5.474626  504.1756 25.83005 419.2775 27.91730 84.89813       38.03376 
1 1 1 7   17 22 o 346.8482 21.88079 28.75283       3.551731  31.31038       5.093158  26.33168       4.955483  359.4194 30.40952 328.7018 32.47361 30.71762       44.48904 
1 1 1 7   17 23 o 143.2715 51.64761 4.601191       4.451374  4.919739       5.437089  3.953627       7.752115  151.6854 56.66663 160.0868 65.26977 -8.401398      86.43639 
1 1 1 7   17 24 o 159.5491 41.50797 6.534676       3.144954  6.913620       4.535341  6.183690       4.364830  164.5005 52.19454 157.0307 51.33060 7.469818       73.20588 
1 1 1 7   17 25 o 159.0291 41.14776 6.519471       3.101666  8.770324       4.546882  4.560511       4.241827  182.2057 51.02258 140.7340 50.45119 41.47174       71.75393 
1 1 1 7   17 26 o 305.6095 30.78406 22.96114       4.365241  19.54519       8.575299  24.15591       5.071509  260.7997 68.87691 311.5050 35.22930 -50.70526      77.36364 
1 1 1 7   17 27 o 161.0254 41.39160 6.787298       3.152500  13.29637       4.814983  1.903579       4.170716  223.8148 47.21878 117.0942 47.82315 106.7206       67.20615 
1 1 1 7   17 28 o 89.90858 39.55082 -0.3879252     3.237747  0.7794293      5.024618  -1.216804      4.233965  116.9413 50.37321 97.73598 43.96172 19.20531       66.85875 
1 1 1 7   17 29 o 165.1022 49.95166 7.537607       4.210744  6.284186       5.388373  9.503568       6.748334  154.8475 56.66952 180.8840 63.76266 -26.03658      85.30599 
1 1 1 7   17 30 f 236.8087 30.03486 14.17984       3.270532  8.766351       5.409801  17.29810       4.105809  172.6505 57.18015 259.1121 34.54606 -86.46158      66.80569 
1 1 1 7   17 31 o 169.0126 44.20546 8.053163       3.554582  8.002378       5.417284  8.091558       4.710393  162.9308 57.15339 164.8376 53.28701 -1.906769      78.14100 
1 1 1 7   19 0  o 1138.001 12.84245 304.8134       6.874794  308.9072       9.704503  300.6892       9.740452  1145.223 18.01416 1129.859 18.32676 15.36377       25.69786 
1 1 1 7   19 1  o 1244.679 13.70438 364.6757       8.023912  395.1433       12.14303  341.0619       10.69033  1295.045 19.93302 1203.268 18.88684 91.77734       27.45975 
1 1 1 7   19 2  o 332.1403 13.45542 25.96723       2.102268  24.03931       3.169099  27.48234       2.809405  318.6788 21.26247 341.1469 17.56631 -22.46805      27.58020 
1 1 1 7   19 3  o 924.8337 14.30612 201.3548       6.223790  216.0226       13.01952  197.0101       7.085850  956.5832 28.93362 914.6663 16.46872 41.91687       33.29224 
1 1 1 7   19 4  o 738.0011 19.32329 128.3197       6.708223  146.4923       10.63715  116.3199       8.643785  787.7203 28.70674 702.1489 26.17010 85.57141       38.84522 
1 1 1 7   19 5  f 1021.734 12.43860 245.7158       5.978312  250.2081       14.70483  244.8262       6.543495  1029.163 30.37432 1019.807 13.64025 9.355896       33.29648 
1 1 1 7   19 6  o 1361.451 16.51307 436.5465       10.57546  458.6802       22.03453  429.9221       12.05461  1392.579 33.63679 1350.790 18.97124 41.78906       38.61789 
1 1 1 7   19 7  o 1703.153 17.46057 683.3522       13.98882  663.7932       29.40281  689.0748       15.90412  1673.804 37.34349 1709.881 19.77308 -36.07739      42.25530 
1 1 1 7   19 8  o 1308.686 14.54978 403.3025       8.956972  415.5767       21.05989  400.5919       9.896683  1324.970 33.78941 1304.102 16.13276 20.86841       37.44316 
1 1 1 7   19 9  o 676.3489 12.11008 107.6897       3.852895  95.06541       9.842200  109.9744       4.187055  632.7578 33.18195 683.4376 13.02388 -50.67987      35.64636 
1 1 1 7   19 10 o 423.9281 14.52187 42.33007       2.895903  44.69093       3.160888  29.99406       7.225389  435.5493 15.42775 352.0286 44.63559 83.52063       47.22659 
1 1 1 7   19 11 o 460.0941 12.28797 49.84649       2.659477  46.50348       3.381026  55.27138       4.307004  444.2097 16.18047 484.1015 18.91340 -39.89175      24.89024 
1 1 1 7   19 12 o 327.8189 15.77051 25.33008       2.431918  23.78845       3.092710  27.82760       3.936447  316.7521 20.87330 342.2047 24.61846 -25.45255      32.27636 
1 1 1 7   19 13 o 312.5979 17.10036 23.11694       2.505021  19.64474       3.264075  28.09256       3.907342  287.1559 24.39520 343.7683 24.31971 -56.61246      34.44669 
1 1 1 7   19 14 o 482.8442 42.50720 56.33176       9.556269  56.33176       9.556269  0.000000       0.000000  482.8442 42.50720 ?        ?        0.000000       42.50720 
1 1 1 7   19 15 o 324.1916 18.19768 24.89925       2.763932  23.18585       3.741426  26.95764       4.100832  311.6461 25.75220 336.1268 26.14142 -24.48068      36.69537 
1 1 1 7   19 16 o 583.8061 15.64340 80.44170       4.296047  81.77765       6.583828  79.45112       5.669284  587.2939 23.83162 579.4315 20.79969 7.862488       31.63184 
1 1 1 7   19 17 o 566.1732 18.11002 75.79221       4.823226  76.41821       5.543082  73.84068       9.787099  568.0412 20.74446 552.7587 37.86818 15.28247       43.17791 
1 1 1 7   19 18 o 543.1512 15.51268 69.69300       3.963482  65.26081       5.401280  74.86403       5.834133  524.4573 21.89360 561.6788 22.08101 -37.22150      31.09503 
1 1 1 7   19 19 o 611.5788 16.66333 88.47770       4.793839  87.33559       6.127663  90.27943       7.696408  606.4732 21.47899 615.0584 26.60127 -8.585205      34.19027 
1 1 1 7   19 20 o 427.9579 18.29947 43.41018       3.683909  44.79456       5.333145  42.14684       5.094699  432.1843 26.35883 419.2932 25.95807 12.89105       36.99472 
1 1 1 7   19 21 o 124.6287 40.54014 3.716101       2.723847  3.634110       3.846662  3.798556       3.857563  131.1070 47.89615 132.7110 48.04271 -1.603943      67.83910 
1 1 1 7   19 22 o 490.1415 18.59232 57.04054       4.286712  56.06422       6.646280  57.73600       5.609409  481.6807 29.47437 491.4995 24.26190 -9.818817      38.17562 
1 1 1 7   19 23 o 267.9810 25.74866 17.37309       3.205887  12.78650       4.501841  22.09232       4.566467  223.2859 44.42370 300.0540 32.89191 -76.76813      55.27516 
1 1 1 7   19 24 o 357.2777 21.80078 30.60121       3.646399  31.74814       5.184424  29.47841       5.129586  360.5824 30.86255 346.9827 31.78021 13.59964       44.29988 
1 1 1 7   19 25 o 267.2061 27.47543 17.42670       3.404304  15.67405       4.740788  19.29263       4.891579  247.2977 42.27178 276.6514 38.64265 -29.35368      57.27266 
1 1 1 7   19 26 o 126.9679 42.51392 3.948199       2.988578  1.918028       4.263268  5.909790       4.190643  118.2272 48.32580 151.7973 50.32881 -33.57016      69.77372 
1 1 1 7   19 27 o 352.1216 21.17999 29.89462       3.491908  27.17275       4.941274  32.60994       4.935338  330.3890 32.20331 363.9767 29.06779 -33.58768      43.38190 
1 1 1 7   19 28 o 125.1149 42.69963 3.910865       3.015310  7.021404       5.000671  2.133800       3.779742  160.6142 54.98770 113.6363 45.84936 46.97785       71.59477 
1 1 1 7   19 29 o 135.5610 41.23651 4.906576       2.863944  4.824614       4.688495  4.955362       3.617233  139.3567 52.51095 137.0404 46.76774 2.316299       70.31800 
1 1 1 7   19 30 o 144.5622 44.97702 5.815904       3.384202  7.375149       5.002967  4.500595       4.594986  158.8018 54.96814 134.3015 51.65171 24.50027       75.42808 
1 1 1 7   21 0  o 545.3536 12.97975 70.02146       3.329767  69.67896       3.988971  70.80857       6.047093  543.8976 15.59102 547.7879 23.46740 -3.890320      28.17443 
1 1 1 7   21 1  o 497.7292 11.67153 58.31480       2.732688  58.77325       3.269963  57.25327       4.975800  499.5962 13.91408 492.7008 21.46893 6.895416       25.58352 
1 1 1 7   21 2  o 111.4874 33.16798 2.978722       1.868049  3.867420       3.074421  2.458599       2.352009  130.5525 43.09952 107.9325 37.67048 22.62007       57.24189 
1 1 1 7   21 3  o 263.7384 19.99860 16.49432       2.462623  12.92212       6.232145  17.15529       2.680793  227.7128 58.01642 268.8487 21.37401 -41.13582      61.82842 
1 1 1 7   21 4  o 768.3661 11.26348 138.9728       4.071086  146.2842       10.73578  137.7449       4.399691  786.5144 29.01733 764.9083 12.22766 21.60608       31.48843 
1 1 1 7   21 5  o 343.4492 12.23567 27.77177       1.976785  28.27586       6.543637  27.72115       2.073670  342.3287 41.48256 343.1182 12.84774 -0.7894592     43.42657 
1 1 1 7   21 6  o 492.0934 10.30253 56.99847       2.384849  70.00595       8.160010  55.78365       2.493728  542.6442 32.11021 486.7995 10.89005 55.84473       33.90662 
1 1 1 7   21 7  f 690.4272 10.74974 112.2167       3.491283  102.1403       9.997437  113.6162       3.725857  656.3730 32.37939 694.6812 11.40175 -38.30817      34.32819 
1 1 1 7   21 8  o 1051.731 12.70917 260.5092       6.287689  260.8205       15.54952  260.4483       6.874816  1048.794 31.51791 1051.472 13.89934 -2.677612      34.44663 
1 1 1 7   21 9  o 741.7259 11.50339 129.5499       4.013640  0.000000       0.000000  129.5499       4.013640  ?        ?        741.7259 11.50339 0.000000       11.50339 
1 1 1 7   21 10 o 143.2356 18.99001 4.926389       1.247970  2.889121       6.397635  5.006976       1.272414  149.6567 59.90744 144.3891 19.21053 5.267609       62.91221 
1 1 1 7   21 11 o 578.0220 15.44227 78.78217       4.198797  72.35435       9.122460  80.50992       4.729552  549.8813 35.45639 584.1469 17.21189 -34.26556      39.41325 
1 1 1 7   21 12 f 195.6312 23.02816 9.180018       2.078596  9.180018       2.078596  0.000000       0.000000  195.6312 23.02816 ?        ?        0.000000       23.02816 
1 1 1 7   21 13 o 193.6380 21.57093 8.979945       1.931453  8.450029       2.473529  9.807831       3.091710  186.3620 29.17263 200.0421 34.07697 -13.68015      44.85847 
1 1 1 7   21 14 o 297.9008 16.25743 21.01367       2.269594  18.10061       2.937846  25.32569       3.574333  275.4531 22.88025 326.0334 23.46265 -50.58035      32.77197 
1 1 1 7   21 15 o 815.6072 17.22483 157.1998       6.608535  143.1926       13.39131  161.7092       7.598209  771.9342 36.87853 826.6646 19.53946 -54.73041      41.73507 
1 1 1 7   21 16 o 352.8567 16.47309 29.42538       2.734278  27.90705       3.725000  31.19923       4.026252  342.0463 23.28977 361.6375 23.80082 -19.59116      33.30004 
1 1 1 7   21 17 o 620.9969 14.28635 91.06554       4.173304  91.51994       5.778318  90.57006       6.033859  621.4119 19.76754 617.9373 20.75781 3.474548       28.66430 
1 1 1 7   21 18 f 100.9563 38.92484 1.693935       2.614559  3.703172       3.357583  -1.401308      4.167337  128.8203 45.00586 98.74986 44.07391 30.07043       62.99236 
1 1 1 7   21 19 o 625.2485 15.09796 92.43531       4.440586  92.09949       6.320854  92.76257       6.239805  622.4017 21.58916 624.7479 21.23230 -2.346191      30.28039 
1 1 1 7   21 20 o 472.8521 16.26157 52.93400       3.617071  52.85006       5.203614  53.01248       5.031356  470.8083 23.49588 471.7510 22.67268 -0.9427185     32.65129 
1 1 1 7   21 21 o 123.8205 39.00753 3.734181       2.536617  4.927784       3.651459  2.620911       3.526442  142.5539 46.96598 118.9783 45.37000 23.57561       65.30115 
1 1 1 7   21 22 o 414.4574 18.49746 40.80838       3.606295  42.80681       5.216409  38.97880       4.991185  421.5236 26.44144 402.1280 26.53493 19.39557       37.46001 
1 1 1 7   21 23 o 367.0557 19.64810 32.17594       3.380210  29.40868       4.609187  35.39611       4.972092  347.9842 28.40536 382.1876 27.84783 -34.20343      39.77897 
1 1 1 7   21 24 o 76.70307 35.24690 -1.889771      2.910071  -0.8604968     3.726348  -3.498811      4.659091  94.56917 41.97449 93.67665 43.58744 0.8925171      60.51217 
1 1 1 7   21 25 o 148.0383 37.58801 5.658700       2.622304  9.226083       3.858050  2.595411       3.575090  187.1008 44.48661 117.4113 45.44747 69.68943       63.59663 
1 1 1 7   21 26 o 105.0387 38.70488 2.348290       2.519698  2.537986       3.651085  2.175785       3.481727  116.8149 45.72967 112.2346 44.43088 4.580261       63.75975 
1 1 1 7   21 27 o 120.8427 40.94877 3.622536       2.772907  5.508324       4.633703  2.570466       3.461022  146.8543 52.72116 114.6406 44.62135 32.21370       69.06942 
1 1 1 7   21 28 o 131.7158 40.85154 4.587495       2.794327  6.123663       4.797323  3.798677       3.437701  150.7313 53.69349 124.9073 45.33216 25.82404       70.27087 
1 1 1 7   23 0  o 504.6747 11.64299 59.97669       2.764047  59.55157       3.187212  61.26635       5.551333  502.7808 13.47606 509.1699 23.17743 -6.389130      26.81040 
1 1 1 7   23 1  o 475.8300 11.37491 53.31383       2.546062  52.02140       3.430784  54.89823       3.798593  469.7954 15.52441 482.5275 16.73522 -12.73209      22.82707 
1 1 1 7   23 2  o 875.1081 17.04375 180.5880       7.016106  0.000000       0.000000  180.5880       7.016106  ?        ?        875.1081 17.04375 0.000000       17.04375 
1 1 1 7   23 3  o 1213.496 16.46752 347.2067       9.400176  384.6612       19.12231  335.2716       10.79448  1272.948 31.93451 1191.918 19.25245 81.03003       37.28901 
1 1 1 7   23 4  o 950.4879 12.15862 212.7810       5.436259  245.1843       14.46150  207.4485       5.866540  1016.662 30.23900 938.3760 13.29033 78.28577       33.03075 
1 1 1 7   23 5  o 386.1422 11.00618 35.11106       1.999186  32.60999       6.859612  35.34322       2.089913  367.3595 40.36055 387.3972 11.46838 -20.03769      41.95828 
1 1 1 7   23 6  o 393.2705 12.76477 36.43671       2.361423  40.19025       7.315434  36.00010       2.494986  408.5795 38.51677 390.8652 13.56975 17.71432       40.83723 
1 1 1 7   23 7  o 434.3288 25.81355 44.83866       5.250218  36.74198       7.616230  52.17004       7.247355  389.3912 42.25829 467.0891 33.20079 -77.69785      53.74063 
1 1 1 7   23 8  o 618.9534 31.91583 91.37931       9.260885  0.000000       0.000000  91.37931       9.260885  ?        ?        618.9534 31.91583 0.000000       31.91583 
1 1 1 7   23 9  o 961.4775 32.21579 220.1546       14.57060  220.1546       14.57060  0.000000       0.000000  961.4775 32.21579 ?        ?        0.000000       32.21579 
1 1 1 7   23 10 f 490.8143 25.22108 57.27337       5.803370  54.72652       8.425914  59.57194       8.004688  476.5310 37.90185 498.3423 34.35648 -21.81131      51.15582 
1 1 1 7   23 11 o 176.6150 21.86097 7.495968       1.777414  -1.588585      6.459322  8.240191       1.848785  125.5036 55.50516 185.3392 21.61138 -59.83566      59.56403 
1 1 1 7   23 12 o 143.6586 24.17517 5.027549       1.575678  1.956302       6.731937  5.205556       1.620697  145.6390 60.25528 146.1926 24.42920 -0.5536346     65.01910 
1 1 1 7   23 13 o 360.2560 18.38152 30.77346       3.104664  33.82878       8.028036  30.23615       3.366607  369.8834 47.21698 356.8002 20.14080 13.08319       51.33318 
1 1 1 7   23 14 o 216.5065 17.52252 11.15656       1.769281  10.21145       2.237582  12.73326       2.890086  206.0598 23.50489 229.6105 27.29234 -23.55067      36.01877 
1 1 1 7   23 15 o 67.83128 29.13262 -0.8954777E-01 1.671230  -2.383602      2.073070  4.168915       2.824480  59.34876 28.07108 131.3201 41.12775 -71.97134      49.79435 
1 1 1 7   23 16 o 317.0050 15.83858 23.75683       2.361847  21.08504       3.092628  27.49593       3.658553  297.0976 22.29137 339.3182 23.05778 -42.22058      32.07127 
1 1 1 7   23 17 o 433.5675 14.79445 44.42221       3.017344  44.89113       4.158823  43.90103       4.384450  434.9429 20.32680 429.3044 21.78239 5.638519       29.79348 
1 1 1 7   23 18 o 358.4584 16.71360 30.41579       2.818240  29.49356       3.840621  31.49171       4.148329  351.1637 23.38367 362.6355 24.46127 -11.47183      33.84007 
1 1 1 7   23 19 o 237.6593 22.87156 13.57551       2.525363  12.32738       3.509637  14.91554       3.636548  223.2884 34.52798 246.7974 32.08289 -23.50897      47.13272 
1 1 1 7   23 20 o 303.7809 19.95662 22.02938       2.835920  19.30706       3.905234  25.06668       4.124975  281.6568 29.93404 322.0927 27.48837 -40.43591      40.64058 
1 1 1 7   23 21 o 86.97794 36.51584 0.4096109      2.525692  0.6159019      3.500149  0.1855011      3.648185  101.9592 42.90544 100.7940 43.15927 1.165169       60.85721 
1 1 1 7   23 22 o 226.9407 25.83464 12.52873       2.708781  9.469729       3.801278  15.68462       3.861011  191.3997 43.23995 251.6717 33.44150 -60.27197      54.66285 
1 1 1 7   23 23 o 327.5243 21.24972 25.75629       3.256223  25.55981       4.515811  25.96909       4.699679  323.0130 30.06507 325.1580 31.10543 -2.144958      43.26034 
1 1 1 7   23 24 o 71.60267 32.34445 -1.054675      2.320528  2.655411       3.415834  -4.234367      3.162259  116.5063 44.59888 69.45711 33.35070 47.04924       55.68958 
1 1 1 7   23 25 o 183.9878 30.52770 8.509559       2.549503  11.66564       3.833288  6.006004       3.414095  211.9018 39.92079 150.7610 44.83688 61.14076       60.03345 
1 1 1 7   23 26 o 117.8368 38.35833 3.492777       2.438386  2.008621       3.739814  4.590272       3.215966  112.3568 45.51051 133.4851 44.08112 -21.12834      63.35891 
1 1 1 7   25 0  o 955.2458 12.05781 214.9973       5.418172  217.2938       7.522513  212.5216       7.810504  959.5672 16.66550 948.8088 17.49972 10.75842       24.16566 
1 1 1 7   25 1  o 572.0738 11.75457 77.10257       3.163212  81.12367       4.641720  73.61591       4.322259  586.2882 16.83056 558.5426 16.45073 27.74561       23.53496 
1 1 1 7   25 2  o 160.9583 25.41953 6.288007       1.860748  3.565639       2.719997  8.682793       2.551106  124.0414 40.51942 188.9173 29.68600 -64.87590      50.23029 
1 1 1 7   25 3  f 538.4564 14.14344 68.36192       3.582405  76.78360       8.052890  66.28407       4.000004  567.3741 30.28208 530.0225 16.04342 37.35162       34.26946 
1 1 1 7   25 4  o 411.3119 11.90409 39.86208       2.303227  37.39596       6.776151  40.18421       2.449041  393.6953 37.02419 412.9254 12.60826 -19.23019      39.11213 
1 1 1 7   25 5  o 408.1414 10.25927 39.23335       1.969683  45.24376       7.264380  38.75642       2.046340  433.5449 35.94429 405.6273 10.72461 27.91760       37.51012 
1 1 1 7   25 6  f 596.2392 22.09885 84.16527       6.198112  80.41023       8.886184  87.72295       8.649516  579.6468 32.72364 606.9661 30.29410 -27.31934      44.59337 
1 1 1 7   25 7  o 258.0808 38.01094 16.30274       4.476399  19.38169       6.724467  13.85256       5.998686  277.3189 53.48606 233.2553 55.47945 44.06363       77.06315 
1 1 1 7   25 8  o 186.0462 46.84386 8.722139       4.097008  9.239002       5.997525  8.269917       5.609962  192.7874 59.85808 183.4942 58.03150 9.293182       83.37053 
1 1 1 7   25 9  o 184.3167 49.03207 8.577545       4.325421  4.295482       6.341071  12.30381       5.915245  156.6074 60.55261 219.2607 56.86943 -62.65332      83.07076 
1 1 1 7   25 10 o 257.0795 40.47017 16.30973       4.732290  22.05113       7.181123  11.90250       6.291673  295.3813 53.65851 215.3500 59.91839 80.03128       80.43288 
1 1 1 7   25 11 o 502.1292 25.83551 60.12883       6.081736  55.70750       8.509928  64.74435       8.694798  479.4044 38.04863 517.8458 35.91552 -38.44135      52.32230 
1 1 1 7   25 12 o 343.1684 34.00389 28.52780       5.416896  21.99465       7.465730  35.79073       7.871675  293.4519 56.12899 381.0078 44.77390 -87.55588      71.79948 
1 1 1 7   25 13 o 466.7501 28.13507 52.17569       6.148469  55.61832       9.102186  49.28657       8.338426  477.2948 40.93672 449.5562 39.84318 27.73862       57.12525 
1 1 1 7   25 14 o 312.4988 22.49541 23.31161       3.284708  0.000000       0.000000  23.31161       3.284708  ?        ?        312.4988 22.49541 0.000000       22.49541 
1 1 1 7   25 15 o 529.5818 28.44143 67.24454       7.059292  60.87991       10.06998  73.39478       9.898914  497.5114 43.46484 549.0441 38.57235 -51.53275      58.11212 
1 1 1 7   25 16 o 321.8658 14.16628 24.47328       2.144865  22.23250       2.810916  27.59634       3.318470  305.5432 19.66156 340.3035 20.83042 -34.76028      28.64408 
1 1 1 7   25 17 f 208.2644 20.98916 10.40826       2.028234  12.07788       2.725333  8.335545       3.036551  223.2938 26.46098 182.3734 36.66695 40.92044       45.21779 
1 1 1 7   25 18 f 222.9857 31.14438 12.19643       3.177661  16.67063       7.131351  11.08799       3.549519  250.0061 61.14540 210.6319 37.18364 39.37422       71.56384 
1 1 1 7   25 19 o 532.1867 20.55534 67.40107       5.145860  0.000000       0.000000  67.40107       5.145860  ?        ?        532.1867 20.55534 0.000000       20.55534 
1 1 1 7   25 20 o 438.2562 16.01051 45.53236       3.300674  45.36267       4.956351  45.66759       4.424509  434.5632 24.34394 437.5291 21.49754 -2.965881      32.47725 
1 1 1 7   25 21 o 98.51505 39.37562 1.367535       2.759234  0.9431125      3.051544  3.269917       6.460547  98.42971 40.63311 145.9223 59.55011 -47.49264      72.09206 
1 1 1 7   25 22 o 125.0172 49.24519 2.770341       4.257339  -0.6263378     5.807852  6.715220       6.259003  118.8705 52.59867 166.0703 61.03091 -47.19984      80.56918 
1 1 1 7   25 23 o 140.3821 49.90540 4.759585       4.142286  1.087991       5.803309  8.573128       5.914426  126.5479 54.31725 177.9681 59.80635 -51.42021      80.79086 
1 1 1 7   25 24 o 334.9635 32.14454 27.95917       5.002733  16.04935       6.466097  45.71939       7.896122  237.8068 58.26132 422.7531 40.18962 -184.9464      70.77844 
1 1 1 7   27 0  o 89.16809 27.74596 1.880718       1.287832  1.066290       1.502470  4.136055       2.500261  78.55944 29.69640 130.0321 38.29357 -51.47269      48.45899 
1 1 1 7   27 1  o 395.2603 11.66552 36.82132       2.168985  38.44753       2.821079  34.47023       3.392058  403.6362 14.85785 381.7975 18.88691 21.83868       24.03063 
1 1 1 7   27 2  o 391.1608 13.36027 36.08490       2.458329  37.76338       3.641424  34.67929       3.332309  399.5597 19.37405 382.9925 18.49633 16.56714       26.78559 
1 1 1 7   27 3  o 388.4889 18.07106 35.67471       3.302414  38.43639       6.676083  34.78003       3.799876  398.7993 35.97484 382.6560 21.19285 16.14331       41.75315 
1 1 1 7   27 4  o 168.8612 17.48061 6.809416       1.368424  2.399525       5.638612  7.085402       1.410595  138.5802 55.96968 172.2608 17.65741 -33.68062      58.68892 
1 1 1 7   27 5  o 323.3450 28.68452 25.09616       4.317679  26.46255       6.416533  23.96552       5.836797  328.2928 42.55085 312.7697 40.63143 15.52316       58.83441 
1 1 1 7   27 6  o 102.7757 44.13056 -0.7882869E-01 3.833334  7.021404       5.851698  -5.416172      5.073506  173.5117 59.48255 93.53780 44.14190 79.97386       74.07213 
1 1 1 7   27 7  o 562.8840 31.83288 75.98098       8.394226  0.000000       0.000000  75.98098       8.394226  ?        ?        562.8840 31.83288 0.000000       31.83288 
1 1 1 7   27 8  o 697.0699 23.02711 115.2965       7.550662  123.9893       11.44208  108.5910       10.04945  719.2317 33.81948 673.8558 31.70340 45.37592       46.35583 
1 1 1 7   27 9  o 289.9146 35.66033 20.48109       4.760700  10.64507       6.548052  31.51011       6.933788  204.6213 62.37697 358.4497 41.91329 -153.8284      75.15058 
1 1 1 7   27 10 o 349.7096 46.01942 30.29132       7.386534  30.29132       7.386534  0.000000       0.000000  349.7096 46.01942 ?        ?        0.000000       46.01942 
1 1 1 7   27 11 o 199.7051 49.29840 10.16949       4.603249  11.29608       6.648249  9.131987       6.379989  209.5780 62.62221 191.5378 62.02602 18.04018       88.14062 
1 1 1 7   27 12 o 268.4235 42.29393 17.90807       5.163565  13.40963       7.174993  22.74079       7.436809  226.4294 64.33657 298.3592 55.01497 -71.92978      84.65129 
1 1 1 7   27 13 o 145.8727 58.63881 3.041023       6.157769  0.000000       0.000000  3.041023       6.157769  ?        ?        145.8727 58.63881 0.000000       58.63881 
1 1 1 7   27 14 o 179.3111 52.55633 8.197291       4.719491  8.790132       6.438638  7.508919       6.938043  187.8487 62.38891 180.0244 64.52425 7.824265       89.75386 
1 1 1 7   27 15 o 232.9220 45.62704 13.77881       4.820384  10.51724       6.613102  17.47622       7.041116  201.3961 62.90821 257.7303 59.30886 -56.33420      86.45799 
1 1 1 7   27 16 o 158.7367 58.93072 5.425090       5.862156  5.425090       5.862156  0.000000       0.000000  158.7367 58.93072 ?        ?        0.000000       58.93072 
1 1 1 7   27 17 f 307.4193 34.87098 23.22596       4.953507  24.03686       6.893606  22.36029       7.122642  306.4972 49.50046 293.4371 53.57501 13.06012       72.94228 
1 1 1 7   27 18 o 270.0240 41.54613 18.38029       5.108028  29.28656       7.464499  8.775269       7.005056  338.6268 48.22318 186.2551 65.01083 152.3717       80.94370 
1 1 1 7   27 19 o 247.6800 57.69870 16.54281       6.597527  0.000000       0.000000  16.54281       6.597527  ?        ?        247.6800 57.69870 0.000000       57.69870 
1 1 1 7   27 20 o 282.6193 36.85243 20.00006       4.782747  14.12901       6.682654  26.16528       6.848027  225.8054 61.32748 318.1782 47.18337 -92.37286      77.37784 
1 1 1 7   27 21 o 294.6455 35.63180 21.74204       4.838290  12.45244       6.685773  31.95601       7.010523  210.2361 62.79411 353.3674 43.06576 -143.1313      76.14302 
1 1 1 7   27 22 o 180.9500 48.53484 8.838739       4.216523  9.497622       5.971828  8.183710       5.954338  184.8259 60.02252 174.1387 59.98483 10.68727       84.85801 
1 1 1 7   29 0  o 114.8046 26.76736 3.260837       1.418927  4.084424       1.740872  1.630834       2.449100  128.3546 29.45694 98.62204 37.76137 29.73251       47.89188 
1 1 1 7   29 1  o 420.4188 11.84408 41.66870       2.342355  38.51109       3.026166  46.38797       3.699562  403.7975 15.93162 442.9490 17.75527 -39.15155      23.85510 
1 1 1 7   29 2  o 526.8218 12.44333 65.44545       3.083682  63.15768       4.588083  67.33036       4.164583  516.6722 18.87760 533.8246 16.58455 -17.15234      25.12789 
1 1 1 7   29 3  o 222.8052 24.47042 11.92968       2.522459  19.59275       6.107555  10.35375       2.769717  279.7464 48.14914 206.3613 29.36031 73.38512       56.39475 
1 1 1 7   29 4  o 469.4211 10.02249 51.91579       2.213133  54.63734       7.853282  51.68100       2.306619  475.7625 35.34313 468.3222 10.47037 7.440247       36.86143 
1 1 1 7   29 5  o 107.6267 44.98283 0.6971749      3.806605  5.306183       5.835221  -2.717301      5.022449  159.8142 58.89885 103.6389 47.12094 56.17530       75.42849 
1 1 1 7   29 6  f 132.9757 53.81662 2.183710       5.224718  0.000000       0.000000  2.183710       5.224718  ?        ?        132.9757 53.81662 0.000000       53.81662 
1 1 1 7   29 7  o 240.9710 39.80683 14.38316       4.354673  14.82164       6.539834  14.03389       5.836828  239.2656 58.57665 233.8647 54.12796 5.400894       79.75626 
1 1 1 7   29 8  o 187.0982 49.48035 8.912729       4.421618  12.03032       6.570099  6.331748       5.977983  215.5635 61.67475 167.9637 59.92637 47.59979       85.99387 
1 1 1 7   29 9  o 446.6831 37.91317 48.54340       7.891098  48.54340       7.891098  0.000000       0.000000  446.6831 37.91317 ?        ?        0.000000       37.91317 
1 1 1 7   29 10 o 301.1179 34.53073 22.10050       4.802740  16.67360       6.736286  27.71106       6.849324  253.3342 57.80385 333.9951 44.71763 -80.66092      73.08181 
1 1 1 7   29 11 o 410.2921 27.78899 40.41610       5.331712  43.04400       7.647764  37.93104       7.437012  419.3634 39.22367 392.8125 40.84526 26.55084       56.62889 
1 1 1 7   29 12 o 128.5032 48.32398 3.192575       3.966753  0.7306778      5.675345  5.543996       5.546544  127.5123 54.19493 158.5688 57.57656 -31.05646      79.07054 
1 1 1 7   29 13 o 125.1312 48.50601 2.705658       4.077043  7.826993       6.106327  -1.413793      5.476564  178.5248 60.76503 114.0825 50.74871 64.44237       79.16957 
1 1 1 7   29 14 o 196.3259 45.99778 9.907537       4.173652  2.783591       5.892270  17.08086       5.912654  140.8798 57.10377 257.3810 50.63936 -116.5012      76.32291 
1 1 1 7   29 15 o 139.9845 56.14294 3.041023       5.630633  3.041023       5.630633  0.000000       0.000000  139.9845 56.14294 ?        ?        0.000000       56.14294 
1 1 1 7   29 16 o 229.3264 40.07073 13.28823       4.165311  8.043996       5.405428  20.95422       6.535419  176.7109 57.07874 284.2908 50.73075 -107.5799      76.36486 
1 1 1 7   29 17 o 117.9204 46.29185 2.347190       3.750033  -0.2554103     4.956244  5.832343       5.735349  112.9991 49.33901 159.0050 58.42396 -46.00587      76.47024 
1 1 1 7   29 18 o 92.63721 41.55722 -1.272765      3.755735  -2.052616      5.127950  -0.3703924     5.516087  105.5132 47.83365 117.6806 51.69906 -12.16740      70.43330 
1 1 1 7   29 19 o 107.5432 45.03073 1.011599       3.824648  0.1156659      5.018496  2.252973       5.907275  114.6405 49.85935 134.6229 56.13162 -19.98242      75.07805 
1 1 1 7   31 0  o 417.3564 17.62235 41.21459       3.459715  0.000000       0.000000  41.21459       3.459715  ?        ?        417.3564 17.62235 0.000000       17.62235 
1 1 1 7   31 1  o 288.2035 14.39145 19.61412       1.951072  21.53555       2.758409  17.69040       2.760056  300.8559 19.59783 272.1694 21.73945 28.68652       29.26907 
1 1 1 7   31 2  o 293.4395 15.98832 20.41211       2.198618  18.36288       2.969545  22.89834       3.270882  277.0779 22.99110 309.6907 22.60887 -32.61285      32.24518 
1 1 1 7   31 3  o 130.7888 45.68721 3.801215       3.459958  7.455411       5.467845  1.360880       4.468328  174.6640 57.46876 119.5549 49.24089 55.10910       75.67908 
1 1 1 7   31 4  o 390.0627 25.32696 36.38660       4.621997  48.21641       7.430588  28.92093       5.902942  445.8439 35.73019 344.1914 37.04177 101.6526       51.46590 
1 1 1 7   31 5  o 554.3057 22.44958 73.00297       5.853652  64.71463       8.476554  80.55888       8.093361  517.0580 35.05781 579.3417 29.79875 -62.28363      46.01104 
1 1 1 7   31 6  o 194.1645 56.30797 9.690845       5.443061  0.000000       0.000000  9.690845       5.443061  ?        ?        194.1645 56.30797 0.000000       56.30797 
1 1 1 7   31 7  o 191.7540 45.25277 9.365552       4.016108  9.399526       5.549087  9.328181       5.819851  191.4090 57.21598 191.0988 58.90409 0.3102722      82.11797 
1 1 1 7   31 8  o 260.9834 37.26921 16.81250       4.445485  16.70333       6.499794  16.90844       6.093578  253.4408 56.01085 256.4091 52.29298 -2.968338      76.62748 
1 1 1 7   31 9  o 374.8014 27.95507 33.81547       4.893228  31.51011       6.968160  36.05827       6.872962  356.4720 42.38583 383.2118 38.65541 -26.73981      57.36549 
1 1 1 7   31 10 o 455.8071 24.70616 49.73212       5.277528  44.26279       7.483785  55.14269       7.443482  424.9435 37.83448 476.6740 33.40709 -51.73044      50.47258 
1 1 1 7   31 11 o 338.7588 27.91587 27.70801       4.408862  28.90904       6.413615  26.63199       6.070655  341.2493 40.76079 327.5863 40.24116 13.66299       57.27821 
1 1 1 7   31 12 o 154.7582 53.86223 5.677765       4.806839  0.000000       0.000000  5.677765       4.806839  ?        ?        154.7582 53.86223 0.000000       53.86223 
1 1 1 7   31 13 o 216.9650 38.39254 11.84717       3.774995  13.22236       5.299915  10.43104       5.378246  224.6470 51.28217 198.5357 55.45472 26.11136       75.53202 
1 1 1 7   31 14 o 184.1664 43.75977 8.767406       3.734997  11.29608       5.074807  5.778835       5.517026  206.6296 52.19456 157.9483 57.41216 48.68127       77.59142 
1 1 1 7   31 15 o 240.9510 35.91677 14.52004       3.946559  15.08918       5.399839  13.86742       5.782326  239.8549 49.50051 227.4328 54.71420 12.42213       73.78309 
1 1 1 7   33 3  o 336.2118 41.22244 28.03508       6.382949  28.03508       6.382949  0.000000       0.000000  336.2118 41.22244 ?        ?        0.000000       41.22244 
1 1 1 7   33 4  o 447.8842 21.63585 47.72440       4.558365  42.77646       6.698637  51.99168       6.220849  419.1784 34.27151 464.6866 28.59790 -45.50818      44.63604 
1 1 1 7   33 5  o 290.8795 29.82164 20.54180       4.022819  23.18668       5.865430  18.19263       5.527820  304.8266 42.02228 268.1008 45.45538 36.72583       61.90366 
1 1 1 7   33 6  o 231.1439 34.57778 13.20911       3.644160  10.47563       5.347238  15.57967       4.979617  199.9741 55.08679 247.9516 44.31991 -47.97752      70.70226 
1 1 1 7   33 7  o 248.2047 32.25947 15.11726       3.677445  12.30678       5.295636  17.73484       5.110679  216.9114 52.47134 265.5106 42.34153 -48.59915      67.42438 
1 1 1 7   33 8  o 160.3350 53.20404 6.358502       4.682777  6.358502       4.682777  0.000000       0.000000  160.3350 53.20404 ?        ?        0.000000       53.20404 
1 1 1 7   33 9  o 122.8742 44.29729 3.272781       3.274592  -0.8237218     4.593443  7.505946       4.669436  106.3628 46.93502 170.8814 52.77692 -64.51857      70.62789 
1 1 1 8   0  0  o 2021.015 27.28279 962.5718       25.92682  962.5718       25.92682  962.5718       25.92682  2021.015 27.28279 2021.015 27.28279 0.000000       0.000000 
1 1 1 8   0  1  o 361.9798 13.98741 30.96751       2.373645  30.96751       2.373645  30.96751       2.373645  361.9798 13.98741 361.9798 13.98741 0.000000       0.000000 
1 1 1 8   0  2  o 496.1461 13.88501 58.05438       3.234857  58.05438       3.234857  58.05438       3.234857  496.1461 13.88501 496.1461 13.88501 0.000000       0.000000 
1 1 1 8   0  3  o 1478.814 21.51875 515.1367       14.96210  515.1367       14.96210  515.1367       14.96210  1478.814 21.51875 1478.814 21.51875 0.000000       0.000000 
1 1 1 8   0  4  o 1253.082 27.68063 370.3924       16.29844  370.3924       16.29844  370.3924       16.29844  1253.082 27.68063 1253.082 27.68063 0.000000       0.000000 
1 1 1 8   0  5  o 1159.047 18.86104 316.4348       10.27724  316.4348       10.27724  316.4348       10.27724  1159.047 18.86104 1159.047 18.86104 0.000000       0.000000 
1 1 1 8   0  6  o 1185.123 19.38420 330.8604       10.79988  330.8604       10.79988  330.8604       10.79988  1185.123 19.38420 1185.123 19.38420 0.000000       0.000000 
1 1 1 8   0  7  o 2099.997 29.26300 1039.814       28.89461  1039.814       28.89461  1039.814       28.89461  2099.997 29.26300 2099.997 29.26300 0.000000       0.000000 
1 1 1 8   0  8  o 1127.045 19.64112 299.3265       10.40589  299.3265       10.40589  299.3265       10.40589  1127.045 19.64112 1127.045 19.64112 0.000000       0.000000 
1 1 1 8   0  9  o 580.5070 25.25199 79.87515       6.865916  79.87515       6.865916  79.87515       6.865916  580.5070 25.25199 580.5070 25.25199 0.000000       0.000000 
1 1 1 8   0  10 o 226.9170 34.73918 12.98732       3.449963  12.98732       3.449963  12.98732       3.449963  226.9170 34.73918 226.9170 34.73918 0.000000       0.000000 
1 1 1 8   0  11 o 425.2907 22.41407 42.99398       4.455662  42.99398       4.455662  42.99398       4.455662  425.2907 22.41407 425.2907 22.41407 0.000000       0.000000 
1 1 1 8   0  12 o 300.3935 29.37915 21.89655       4.060287  21.89655       4.060287  21.89655       4.060287  300.3935 29.37915 300.3935 29.37915 0.000000       0.000000 
1 1 1 8   0  13 f 198.8061 49.25074 10.89055       3.986557  10.89055       3.986557  10.89055       3.986557  198.8061 49.25074 198.8061 49.25074 0.000000       0.000000 
1 1 1 8   0  14 o 107.1890 57.55209 3.880998       3.997426  3.880998       3.997426  3.880998       3.997426  107.1890 57.55209 107.1890 57.55209 0.000000       0.000000 
1 1 1 8   0  15 f 659.2989 22.01226 102.6802       6.809541  102.6802       6.809541  102.6802       6.809541  659.2989 22.01226 659.2989 22.01226 0.000000       0.000000 
1 1 1 8   0  16 o 652.8457 22.95348 100.7265       7.029255  100.7265       7.029255  100.7265       7.029255  652.8457 22.95348 652.8457 22.95348 0.000000       0.000000 
1 1 1 8   0  17 o 110.0952 60.38671 4.004532       4.493659  4.004532       4.493659  4.004532       4.493659  110.0952 60.38671 110.0952 60.38671 0.000000       0.000000 
1 1 1 8   0  18 o 213.5590 56.53705 12.80633       4.907055  12.80633       4.907055  12.80633       4.907055  213.5590 56.53705 213.5590 56.53705 0.000000       0.000000 
1 1 1 8   0  19 o 140.2615 66.93291 6.870308       5.059164  6.870308       5.059164  6.870308       5.059164  140.2615 66.93291 140.2615 66.93291 0.000000       0.000000 
1 1 1 8   0  20 o 489.5896 28.66719 57.11205       6.550358  57.11205       6.550358  57.11205       6.550358  489.5896 28.66719 489.5896 28.66719 0.000000       0.000000 
1 1 1 8   0  21 o 876.6334 33.83089 182.4019       13.90367  182.4019       13.90367  182.4019       13.90367  876.6334 33.83089 876.6334 33.83089 0.000000       0.000000 
1 1 1 8   0  22 o 437.4032 51.26785 47.38407       10.16957  47.38407       10.16957  47.38407       10.16957  437.4032 51.26785 437.4032 51.26785 0.000000       0.000000 
1 1 1 8   0  23 o 122.2869 72.54520 4.173603       7.249509  4.173603       7.249509  4.173603       7.249509  122.2869 72.54520 122.2869 72.54520 0.000000       0.000000 
1 1 1 8   0  24 o 318.9211 43.06001 25.52673       6.128422  25.52673       6.128422  25.52673       6.128422  318.9211 43.06001 318.9211 43.06001 0.000000       0.000000 
1 1 1 8   0  25 o 335.0996 39.83157 27.90752       6.044793  27.90752       6.044793  27.90752       6.044793  335.0996 39.83157 335.0996 39.83157 0.000000       0.000000 
1 1 1 8   0  26 o 183.5057 70.27268 11.20061       5.728038  11.20061       5.728038  11.20061       5.728038  183.5057 70.27268 183.5057 70.27268 0.000000       0.000000 
1 1 1 8   0  27 o 613.7700 28.27703 90.22601       8.124640  90.22601       8.124640  90.22601       8.124640  613.7700 28.27703 613.7700 28.27703 0.000000       0.000000 
1 1 1 8   0  28 o 102.2779 62.00536 2.832057       5.524617  2.832057       5.524617  2.832057       5.524617  102.2779 62.00536 102.2779 62.00536 0.000000       0.000000 
1 1 1 8   0  29 o 262.9082 56.61715 19.16624       6.144344  19.16624       6.144344  19.16624       6.144344  262.9082 56.61715 262.9082 56.61715 0.000000       0.000000 
1 1 1 8   0  30 o 126.5282 67.45796 6.106763       5.455443  6.106763       5.455443  6.106763       5.455443  126.5282 67.45796 126.5282 67.45796 0.000000       0.000000 
1 1 1 8   0  31 o 113.0132 65.40273 4.530523       5.652350  4.530523       5.652350  4.530523       5.652350  113.0132 65.40273 113.0132 65.40273 0.000000       0.000000 
1 1 1 8   0  32 o 73.53558 49.04126 -0.8878775     4.616490  -0.8878775     4.616490  -0.8878775     4.616490  73.53558 49.04126 73.53558 49.04126 0.000000       0.000000 
1 1 1 8   0  33 o 107.1926 61.19319 4.310516       4.847226  4.310516       4.847226  4.310516       4.847226  107.1926 61.19319 107.1926 61.19319 0.000000       0.000000 
1 1 1 8   0  34 o 92.37996 60.55717 0.8097504      6.569422  0.8097504      6.569422  0.8097504      6.569422  92.37996 60.55717 92.37996 60.55717 0.000000       0.000000 
1 1 1 8   0  35 o 163.6189 76.50222 11.46552       6.574804  11.46552       6.574804  11.46552       6.574804  163.6189 76.50222 163.6189 76.50222 0.000000       0.000000 
1 1 1 8   0  36 o 142.5117 71.75608 9.236030       5.935776  9.236030       5.935776  9.236030       5.935776  142.5117 71.75608 142.5117 71.75608 0.000000       0.000000 
1 1 1 8   2  0  o 654.7290 9.656562 100.8606       2.974085  100.0595       5.963182  101.1259       3.431303  651.7584 19.45011 655.5500 11.12715 -3.791626      22.40804 
1 1 1 8   2  1  o 265.3656 11.01510 16.57046       1.375000  17.78761       1.961003  15.39333       1.928491  274.4559 15.24936 255.1876 16.14857 19.26837       22.21079 
1 1 1 8   2  2  o 274.0345 11.88158 17.67209       1.531612  17.17224       2.173131  18.16545       2.158991  269.5015 17.23195 277.2638 16.63027 -7.762238      23.94798 
1 1 1 8   2  3  o 645.1083 11.85087 97.93539       3.596268  98.84980       4.454934  96.22474       6.093277  648.0217 14.61445 639.1168 20.26756 8.904968       24.98712 
1 1 1 8   2  4  o 1829.007 18.13429 787.8130       15.60218  788.6230       22.05770  787.0020       22.07193  1828.785 25.64060 1826.897 25.68367 1.888184       36.29175 
1 1 1 8   2  5  o 234.7251 19.21609 13.06414       2.103153  14.21819       3.956247  12.60953       2.483080  242.7002 35.72175 230.1286 23.25692 12.57162       42.62543 
1 1 1 8   2  6  o 641.3880 11.58947 96.81113       3.496663  94.70284       4.861681  99.07047       5.032815  634.1915 16.29659 648.6420 16.49440 -14.45056      23.18715 
1 1 1 8   2  7  o 329.8680 14.46327 25.61764       2.244274  26.37075       3.220002  24.90618       3.129689  333.8835 20.60245 324.4426 20.61359 9.440948       29.14414 
1 1 1 8   2  8  o 402.1843 15.90824 38.09670       3.009653  35.70155       5.079992  39.39207       3.735890  387.7771 28.03812 408.8267 19.42610 -21.04959      34.11026 
1 1 1 8   2  9  o 507.2067 13.22534 60.58227       3.155449  59.53176       4.411275  61.68302       4.515507  502.4827 18.66267 511.4740 18.76782 -8.991272      26.46745 
1 1 1 8   2  10 o 644.7546 15.11409 97.97464       4.584011  98.81728       5.595229  96.25447       7.994356  647.2058 18.37833 637.7012 26.64998 9.504639       32.37259 
1 1 1 8   2  11 o 1192.156 14.88966 334.9561       8.350015  348.8329       12.23851  322.8707       11.42121  1215.285 21.40826 1169.331 20.76373 45.95349       29.82359 
1 1 1 8   2  12 o 1215.336 17.71056 348.2162       10.12507  369.8059       13.13374  316.5874       15.89667  1251.588 22.30784 1156.502 29.22069 95.08630       36.76260 
1 1 1 8   2  13 o 885.9053 14.39439 184.8010       5.998600  187.8823       8.627543  181.9175       8.346061  892.7379 20.54442 878.4865 20.19655 14.25140       28.80926 
1 1 1 8   2  14 o 1093.617 15.31904 281.5906       7.880721  284.5565       11.30207  278.7840       10.99434  1098.773 21.86659 1087.610 21.48952 11.16284       30.65856 
1 1 1 8   2  15 o 1926.820 23.67772 875.2161       21.46102  889.7324       26.74883  848.9894       35.95420  1941.558 29.28769 1893.611 40.36356 47.94678       49.86969 
1 1 1 8   2  16 o 2372.769 27.70530 1328.452       30.92343  1368.906       55.77615  1310.499       37.15701  2400.249 49.39954 2354.923 33.54245 45.32666       59.71106 
1 1 1 8   2  17 o 695.2872 18.60771 113.8839       6.085923  109.0269       7.335175  124.6136       10.90230  680.0173 22.93090 726.1777 31.91580 -46.16040      39.29942 
1 1 1 8   2  18 o 1554.832 18.43093 569.6011       13.48031  583.7775       19.54511  556.7394       18.61683  1572.603 26.42104 1535.888 25.76777 36.71448       36.90595 
1 1 1 8   2  19 o 388.7849 22.00880 35.76686       4.008566  37.26965       5.802597  34.39495       5.544168  395.6842 31.43384 380.0402 31.29063 15.64404       44.35301 
1 1 1 8   2  20 o 393.4824 26.15367 36.74770       4.813344  41.46849       9.123891  34.92716       5.665947  414.0275 47.72050 382.7287 31.75801 31.29877       57.32205 
1 1 1 8   2  21 o 633.0009 17.98638 94.49728       5.355713  98.46184       7.741542  90.85806       7.417115  645.2652 25.50469 619.8579 25.43745 25.40729       36.02156 
1 1 1 8   2  22 o 332.0866 29.64457 26.37708       4.582217  25.98395       7.567076  26.60471       5.757929  324.3386 51.30427 331.8813 37.54216 -7.542633      63.57312 
1 1 1 8   2  23 o 346.4344 26.28799 28.64531       4.252043  30.63586       6.079798  26.73953       5.948932  355.9231 36.84676 331.7533 38.85614 24.16974       53.54889 
1 1 1 8   2  24 o 84.65443 39.18069 -2.922945      3.689269  -2.774316      5.236600  -3.069416      5.198438  106.0456 48.17654 104.2853 47.61726 1.760277       67.73759 
1 1 1 8   2  25 o 221.9874 45.21062 12.47384       4.560667  9.664889       5.438984  19.12604       8.370049  193.9215 56.30112 268.1339 66.64852 -74.21239      87.24586 
1 1 1 8   2  26 o 104.4615 45.64229 -0.4941486     4.247804  -4.482759      7.415120  1.454133       5.182428  121.3359 55.94280 126.4347 52.63428 -5.098755      76.81123 
1 1 1 8   2  27 o 206.6973 43.29927 10.97404       4.075186  8.786455       5.979894  12.87094       5.568445  183.7821 60.08161 220.1241 54.14973 -36.34200      80.88259 
1 1 1 8   2  28 o 301.6609 41.31150 23.07503       5.708158  25.05648       8.144756  21.16231       8.002238  303.8667 59.10823 276.1949 62.98832 27.67175       86.37889 
1 1 1 8   2  29 o 344.1452 27.17324 28.88038       4.363199  27.43419       6.155174  30.34105       6.185930  328.3126 40.72982 346.7626 38.57696 -18.44998      56.09902 
1 1 1 8   2  30 o 182.6861 45.78602 8.923970       3.926913  8.848241       5.520179  9.001556       5.587418  179.2478 57.65877 180.5692 58.00100 -1.321411      81.78416 
1 1 1 8   2  31 o 128.0384 46.67957 3.851870       3.651051  10.41053       5.164700  -2.700017      5.162032  192.2826 54.56726 101.0681 46.62546 91.21446       71.77409 
1 1 1 8   2  32 o 170.9694 49.01643 8.147903       4.145953  13.28181       7.043007  5.425514       5.128724  207.8365 64.92093 146.6603 54.98767 61.17615       85.07862 
1 1 1 8   2  33 o 103.4190 42.82740 1.489529       3.405451  0.8448802      4.719285  2.189890       4.918990  111.3686 48.39309 120.9307 50.87489 -9.562088      70.21500 
1 1 1 8   2  34 o 127.4760 48.08664 4.162439       3.934306  -1.177170      6.356296  7.478577       5.009169  113.1811 52.03996 157.5871 54.97637 -44.40601      75.70045 
1 1 1 8   2  35 o 84.58083 39.78817 -2.628556      4.062147  -1.712247      5.564271  -3.674198      5.943999  102.4793 47.66678 98.81976 46.97118 3.659569       66.92095 
1 1 1 8   2  36 o 172.1416 62.26842 11.41498       6.478450  11.41498       6.478450  0.000000       0.000000  172.1416 62.26842 ?        ?        0.000000       62.26842 
1 1 1 8   4  0  o 886.6344 10.95675 184.9823       4.569782  183.4130       6.585703  186.4395       6.346241  882.6409 15.86167 889.9309 15.15971 -7.290039      21.94104 
1 1 1 8   4  1  o 1266.768 15.45483 377.7749       9.209385  380.2022       16.34014  376.6449       11.14878  1269.586 27.36052 1264.598 18.74154 4.987183       33.16389 
1 1 1 8   4  2  o 853.0220 12.33210 171.2436       4.948419  168.4933       6.021969  176.9620       8.683258  846.0188 15.13175 866.6439 21.29966 -20.62506      26.12749 
1 1 1 8   4  3  o 522.4449 10.33047 64.22453       2.538808  63.46456       3.518378  65.05010       3.667069  519.2427 14.40465 525.6761 14.82967 -6.433472      20.67397 
1 1 1 8   4  4  o 388.1061 11.45576 35.44606       2.091432  35.90304       2.934422  34.97428       2.981607  390.5032 15.97455 385.4074 16.44603 5.095764       22.92723 
1 1 1 8   4  5  o 784.2876 11.42079 144.7531       4.213479  139.7343       5.813659  150.3063       6.115295  770.3658 16.04291 798.9645 16.27124 -28.59875      22.85013 
1 1 1 8   4  6  o 905.2266 14.27471 192.9118       6.078465  187.9905       10.62678  195.3050       7.410438  892.7144 25.30578 910.6251 17.29956 -17.91064      30.65383 
1 1 1 8   4  7  o 874.6761 12.42258 180.0884       5.111266  174.5985       7.021930  186.2751       7.454271  860.9105 17.33921 889.1926 17.82133 -28.28217      24.86459 
1 1 1 8   4  8  o 927.0499 13.01254 202.3627       5.674591  193.7860       7.709123  212.5053       8.383376  906.7217 18.07431 949.4257 18.77105 -42.70398      26.05826 
1 1 1 8   4  9  o 499.9279 15.91626 58.90807       3.742981  65.07135       7.066713  56.50477       4.412812  523.3922 28.81356 489.3905 19.16861 34.00168       34.60718 
1 1 1 8   4  10 o 433.0756 14.86163 44.20261       3.027607  41.46735       4.269286  46.96986       4.294188  418.4180 21.76594 446.0209 20.46711 -27.60287      29.87739 
1 1 1 8   4  11 o 477.4195 21.12468 53.80442       4.744163  53.80442       4.744163  0.000000       0.000000  477.4195 21.12468 ?        ?        0.000000       21.12468 
1 1 1 8   4  12 o 800.7200 13.79730 150.9777       5.196897  152.7127       7.507789  149.3817       7.200860  804.8022 19.83141 796.0344 19.23018 8.767822       27.62398 
1 1 1 8   4  13 o 495.8279 15.87325 57.89152       3.702254  61.27187       5.280566  54.62347       5.192111  509.8201 22.01883 481.3204 22.93192 28.49976       31.79154 
1 1 1 8   4  14 o 1059.024 17.51765 264.1191       8.726717  272.5922       15.91720  260.4776       10.43479  1074.364 31.49532 1051.399 21.09827 22.96436       37.90900 
1 1 1 8   4  15 o 707.1490 17.25727 117.7556       5.740534  111.8014       9.590894  121.0795       7.165878  688.2370 29.62455 716.8381 21.25098 -28.60114      36.45845 
1 1 1 8   4  16 o 886.6708 15.11121 185.0925       6.302762  191.3978       9.145807  179.3895       8.697950  901.1898 21.57429 872.4921 21.19269 28.69769       30.24203 
1 1 1 8   4  17 o 1170.716 16.17838 322.7617       8.909553  331.8996       12.90123  314.4301       12.31895  1186.405 23.11685 1154.815 22.67734 31.59009       32.38288 
1 1 1 8   4  18 o 707.5634 23.15080 118.0908       7.705498  118.0908       7.705498  0.000000       0.000000  707.5634 23.15080 ?        ?        0.000000       23.15080 
1 1 1 8   4  19 o 1003.370 16.35211 237.1787       7.717992  247.6239       11.21765  227.7896       10.63539  1024.363 23.27979 982.5189 23.01140 41.84363       32.73336 
1 1 1 8   4  20 o 385.4623 22.64342 35.19587       4.087727  37.52773       5.881732  33.01731       5.685119  396.7516 31.78178 371.8078 32.84278 24.94388       45.70263 
1 1 1 8   4  21 o 176.3043 50.35004 7.659833       4.382940  3.962545       8.723292  8.908400       5.069260  174.1855 69.87328 189.7651 54.13315 -15.57957      88.38933 
1 1 1 8   4  22 o 306.9564 28.25246 22.53969       4.033668  29.25095       5.825149  16.35714       5.590989  348.3870 36.06713 256.5782 48.09027 91.80887       60.11250 
1 1 1 8   4  23 o 314.9954 27.50700 23.75728       4.034949  26.12373       5.697116  21.37553       5.715489  328.0346 37.59932 295.0058 42.40532 33.02881       56.67380 
1 1 1 8   4  24 o 570.2993 27.61065 77.51900       7.407111  77.51900       7.407111  0.000000       0.000000  570.2993 27.61065 ?        ?        0.000000       27.61065 
1 1 1 8   4  25 o 255.7941 33.80154 16.01913       3.967581  19.05238       5.575425  12.90720       5.647277  275.7433 44.49870 223.0855 54.32149 52.65778       70.22079 
1 1 1 8   4  26 f 355.6696 25.64158 30.41674       4.261261  27.68210       5.880817  33.43986       6.183217  334.8540 38.00805 369.2117 36.06204 -34.35770      52.39353 
1 1 1 8   4  27 o 150.8874 52.31252 5.481804       4.532114  6.171225       8.341161  5.193015       5.398518  174.1660 68.82657 152.7372 56.58223 21.42880       89.09908 
1 1 1 8   4  28 o 93.19770 41.15353 -0.6594221     3.537383  3.162691       4.889211  -4.857925      5.124296  133.1637 52.67168 94.04081 44.37412 39.12292       68.87211 
1 1 1 8   4  29 o 239.5431 35.40028 14.46291       3.868788  8.128731       5.428927  20.99874       5.514666  174.1711 57.26181 285.7963 42.29718 -111.6253      71.18965 
1 1 1 8   4  30 o 184.8134 54.94780 9.443890       5.128065  9.443890       5.128065  0.000000       0.000000  184.8134 54.94780 ?        ?        0.000000       54.94780 
1 1 1 8   4  31 o 180.9919 43.01556 8.758462       3.608363  4.301691       4.915443  13.96687       5.313797  138.6758 53.39847 224.7424 51.38232 -86.06653      74.10493 
1 1 1 8   4  32 o 65.64744 32.09699 -5.635702      3.292583  -1.488039      4.664380  -9.755157      4.648492  99.97669 45.43824 72.49035 35.94807 27.48634       57.93874 
1 1 1 8   4  33 o 111.5677 44.71674 2.346421       3.569417  2.488110       6.344913  2.280818       4.317387  131.6170 56.65060 116.8731 48.29599 14.74388       74.44322 
1 1 1 8   4  34 o 168.5723 51.89146 8.581418       4.518321  9.021998       6.183529  8.076695       6.618351  167.9112 60.81978 161.0599 61.97729 6.851288       86.83450 
1 1 1 8   4  35 o 184.8055 61.65749 12.04221       6.285954  12.04221       6.285954  0.000000       0.000000  184.8055 61.65749 ?        ?        0.000000       61.65749 
1 1 1 8   6  0  o 1175.637 12.64263 325.2890       6.991654  353.4743       10.92897  305.7624       9.096670  1225.012 18.96573 1139.507 16.97056 85.50513       25.44992 
1 1 1 8   6  1  o 244.8025 14.56555 14.15738       1.669731  14.71760       3.413773  13.98121       1.914350  247.9244 29.87311 243.0884 16.84511 4.835968       34.29520 
1 1 1 8   6  2  f 572.5692 21.73454 77.25922       5.853933  77.25922       5.853933  0.000000       0.000000  572.5692 21.73454 ?        ?        0.000000       21.73454 
1 1 1 8   6  3  f 900.5522 13.36060 190.8941       5.659838  191.1118       10.15516  190.7960       6.816725  900.2940 23.97911 900.1638 16.09848 0.1301880      28.88181 
1 1 1 8   6  4  o 656.4376 10.67961 101.4036       3.297754  101.2581       4.606501  101.5567       4.723142  655.8024 14.93237 656.7525 15.28833 -0.9501343     21.37074 
1 1 1 8   6  5  o 755.0911 11.34515 134.1897       4.029758  130.5400       5.494728  138.4373       5.927751  744.5320 15.68894 766.6761 16.43648 -22.14404      22.72225 
1 1 1 8   6  6  o 357.6852 13.37020 30.12271       2.249615  33.48902       3.251395  27.03131       3.115808  376.9692 18.33557 338.0591 19.67847 38.91003       26.89676 
1 1 1 8   6  7  o 942.5696 17.78425 209.4375       7.885300  0.000000       0.000000  209.4375       7.885300  ?        ?        942.5696 17.78425 0.000000       17.78425 
1 1 1 8   6  8  o 968.8392 12.90138 221.0875       5.879728  225.0533       8.445519  217.3574       8.190717  976.7712 18.38079 959.9614 18.13839 16.80975       25.82353 
1 1 1 8   6  9  o 1209.000 14.51869 344.4377       8.257017  355.2973       12.05215  334.8318       11.33518  1226.676 20.88648 1190.966 20.23297 35.71008       29.07951 
1 1 1 8   6  10 o 795.0150 13.17867 148.8615       4.928516  148.2877       6.968766  149.4358       6.971184  792.9355 18.68309 796.0068 18.61746 -3.071228      26.37551 
1 1 1 8   6  11 f 357.5141 17.25550 30.11710       2.901950  30.33850       4.200615  29.91496       4.013716  357.5919 25.13182 355.1898 24.16611 2.402039       34.86559 
1 1 1 8   6  12 o 735.2981 13.99981 127.2813       4.842337  132.7705       7.014056  122.2824       6.693390  750.6378 19.86413 720.3874 19.75198 30.25037       28.01293 
1 1 1 8   6  13 o 1341.964 16.25790 424.0228       10.26301  440.3496       15.07794  409.9287       14.00909  1366.759 23.45205 1318.812 22.58175 47.94751       32.55663 
1 1 1 8   6  14 o 609.0783 17.10176 87.35403       4.899855  78.35910       7.917810  92.93671       6.237742  575.4860 29.34580 628.0512 21.11364 -52.56519      36.15193 
1 1 1 8   6  15 o 95.94229 41.65806 -0.5658969     3.491780  7.312724       6.674602  -3.534588      4.097159  183.6371 63.49487 88.79253 41.16425 94.84462       75.67096 
1 1 1 8   6  16 o 1233.229 16.36987 358.1356       9.496384  351.5703       13.27824  365.0098       13.58691  1221.146 23.11551 1244.255 23.21358 -23.10889      32.75968 
1 1 1 8   6  17 o 616.8276 18.65408 89.64391       5.412612  93.47097       6.921764  83.62070       8.683578  629.5456 23.37332 594.0143 31.18559 35.53131       38.97246 
1 1 1 8   6  18 o 1035.205 16.23948 252.4301       7.908022  247.9055       11.05529  257.1710       11.31655  1025.126 22.92574 1044.092 23.04125 -18.96570      32.50367 
1 1 1 8   6  19 o 234.0989 32.42316 13.22038       3.474599  16.01328       5.127531  10.84898       4.724791  255.7737 44.21670 209.0340 48.91735 46.73964       65.93955 
1 1 1 8   6  20 o 712.7148 17.14601 119.7474       5.748415  119.7500       8.197755  119.7448       8.062895  711.8770 24.48052 711.9159 24.07648 -0.3887939E-01 34.33617 
1 1 1 8   6  21 o 347.9530 25.96410 28.81625       4.219141  22.80049       6.009541  34.66373       5.924891  305.8362 42.95620 380.4451 33.44673 -74.60883      54.44188 
1 1 1 8   6  22 o 589.4374 18.93509 82.07249       5.250182  78.44776       7.487114  85.57917       7.364169  574.8608 27.68742 600.7373 26.05973 -25.87653      38.02240 
1 1 1 8   6  23 o 604.1389 19.27372 86.32937       5.477365  80.79095       7.648442  92.16016       7.847729  582.6478 27.90600 622.5790 26.79663 -39.93115      38.68855 
1 1 1 8   6  24 o 426.3630 23.09999 43.30734       4.615696  33.08684       6.208320  55.93854       6.901770  368.9001 36.24430 482.5475 30.56328 -113.6473      47.41058 
1 1 1 8   6  25 o 491.6079 25.26043 57.82162       5.821828  63.68496       7.214868  46.87872       9.856488  514.2556 29.95470 432.1782 49.36895 82.07736       57.74580 
1 1 1 8   6  26 o 252.0272 33.09063 15.63132       3.828214  14.36082       5.363199  16.95105       5.466091  235.1880 50.01643 257.3466 46.88050 -22.15858      68.55235 
1 1 1 8   6  27 o 143.2316 46.72529 5.094641       3.617432  7.625700       5.148845  2.627490       5.083426  171.7267 55.73167 131.7306 53.16405 39.99617       77.02230 
1 1 1 8   6  28 o 93.35171 40.99506 -0.4668326     3.465435  0.6059689E-02  4.774120  -0.9935030     5.038273  111.7332 48.61264 109.2793 48.63998 2.453911       68.76799 
1 1 1 8   6  29 o 230.5706 41.95205 13.76991       4.382532  15.18974       5.407518  11.05232       7.481206  238.2870 49.84448 198.1503 67.25977 40.13664       83.71589 
1 1 1 8   6  30 o 225.4372 38.64116 13.08780       3.950285  10.66418       5.431780  15.80876       5.755345  195.2554 56.14154 240.3603 52.38235 -45.10489      76.78400 
1 1 1 8   6  31 o 340.1282 26.65858 28.42216       4.231145  31.31236       5.989171  25.54242       5.978329  350.5235 36.87589 313.0446 41.63028 37.47885       55.61395 
1 1 1 8   6  32 o 312.8067 31.95547 24.71930       4.636060  22.39001       7.966063  25.91228       5.700969  271.6997 63.47382 314.9671 39.33576 -43.26740      74.67415 
1 1 1 8   6  33 o 102.8356 45.59954 -0.5416384E-01 4.387507  0.000000       0.000000  -0.5416384E-01 4.387507  ?        ?        102.8356 45.59954 0.000000       45.59954 
1 1 1 8   6  34 o 65.68241 32.05938 -5.078572      3.244185  -3.917955      5.674039  -5.642263      3.954292  97.25064 46.12757 73.35195 35.71275 23.89869       58.33655 
1 1 1 8   6  35 o 163.7010 50.19545 8.403559       4.232507  10.23187       6.349038  6.941142       5.678305  169.5249 61.59402 147.4469 57.21986 22.07806       84.07101 
1 1 1 8   8  0  o 223.9292 11.93729 11.83645       1.252898  13.98410       2.161067  10.74911       1.537698  242.8564 19.07023 213.0872 15.44552 29.76913       24.54053 
1 1 1 8   8  1  o 948.8392 15.50147 212.0242       6.918863  207.4019       10.30773  215.8145       9.334063  937.6695 23.36921 956.7951 20.73874 -19.12561      31.24445 
1 1 1 8   8  2  o 1077.244 14.03526 273.2409       7.112198  270.8086       13.01988  274.2755       8.490983  1071.029 25.84261 1079.031 16.72841 -8.001709      30.78442 
1 1 1 8   8  3  f 644.6465 10.53012 97.80809       3.193187  101.5187       4.624979  94.42812       4.414095  656.5351 14.97554 633.2010 14.81940 23.33405       21.06849 
1 1 1 8   8  4  o 450.7500 10.91180 47.82570       2.313670  50.13764       3.246016  45.43816       3.298666  461.3527 14.95713 439.1526 15.96811 22.20004       21.87913 
1 1 1 8   8  5  o 899.0165 11.82019 190.3026       4.998748  190.5593       7.061551  190.0447       7.077069  899.1389 16.69568 897.9171 16.75513 1.221802       23.65333 
1 1 1 8   8  6  o 1062.344 14.60985 265.9240       7.300963  275.6540       12.47760  260.8583       9.003058  1079.818 24.56469 1051.651 18.19907 28.16675       30.57172 
1 1 1 8   8  7  o 441.8852 12.80540 45.99141       2.661779  46.66026       3.805795  45.35094       3.724181  444.7647 18.19055 438.4894 18.05520 6.275269       25.62980 
1 1 1 8   8  8  o 599.9766 15.15215 84.81895       4.276396  96.93818       9.007488  81.29245       4.858904  639.7349 29.93190 587.1872 17.59108 52.54773       34.71837 
1 1 1 8   8  9  o 1108.197 13.96084 289.2222       7.277760  285.5670       10.18906  293.0295       10.39876  1100.474 19.68272 1114.739 19.83074 -14.26477      27.94043 
1 1 1 8   8  10 o 1170.547 14.65836 322.6245       8.071300  325.7089       11.47079  319.5998       11.35911  1175.478 20.74480 1164.403 20.73824 11.07520       29.33294 
1 1 1 8   8  11 o 741.0459 13.55475 129.2618       4.725044  131.3497       6.750968  127.2569       6.615532  746.7111 19.21959 734.9904 19.13435 11.72064       27.12040 
1 1 1 8   8  12 o 249.1694 29.41650 14.85308       3.381410  14.62192       3.928296  15.51427       6.643603  246.3519 34.87255 250.3354 57.61268 -3.983582      67.34476 
1 1 1 8   8  13 o 671.1414 14.68765 106.0282       4.636983  112.6210       6.799228  100.2956       6.340182  691.4034 20.90541 652.4858 20.65672 38.91760       29.38939 
1 1 1 8   8  14 o 532.5369 16.17526 66.77100       4.052007  64.03857       5.727064  69.50980       5.733747  521.2343 23.35768 543.0891 22.44389 -21.85480      32.39305 
1 1 1 8   8  15 o 234.3643 29.96996 13.17807       3.228382  14.17874       4.622748  12.22538       4.510562  241.1420 42.29517 223.1664 44.52740 17.97563       61.41311 
1 1 1 8   8  16 o 696.9262 15.86489 114.3763       5.201076  122.7538       7.734996  107.4627       7.026768  721.5366 22.78937 675.1508 22.12511 46.38580       31.76281 
1 1 1 8   8  17 o 756.2940 15.95529 134.7151       5.676291  146.2763       8.511515  125.4547       7.617637  787.4991 22.97669 729.3691 22.20259 58.13007       31.95126 
1 1 1 8   8  18 o 416.8974 20.58897 40.98590       4.037691  44.79902       6.011409  37.85165       5.450084  434.2622 29.60416 399.0580 29.23692 35.20416       41.60774 
1 1 1 8   8  19 o 604.0055 20.75247 86.07484       5.896307  95.74004       7.362314  68.78716       9.846393  636.6149 24.58489 536.4096 39.29564 100.2053       46.35260 
1 1 1 8   8  20 o 472.6689 21.79263 52.76739       4.845471  69.47087       8.636966  45.09554       5.853394  539.6553 34.20002 435.3621 28.74343 104.2933       44.67467 
1 1 1 8   8  21 o 483.5806 20.36453 55.25303       4.632469  57.32158       6.776397  53.43818       6.347241  490.4646 29.50855 473.6833 28.62015 16.78131       41.10800 
1 1 1 8   8  22 o 561.0849 23.49692 74.60588       6.201673  73.75149       12.02287  74.91563       7.239064  549.9080 46.92736 561.4882 27.40770 -11.58014      54.34482 
1 1 1 8   8  23 o 419.5410 25.63437 42.01025       5.034746  43.05808       6.421888  40.33889       8.110569  422.9091 32.53049 405.7163 43.15983 17.19281       54.04631 
1 1 1 8   8  24 o 789.3199 17.87183 147.5036       6.635772  150.8879       9.414366  144.1622       9.354717  795.7697 25.14979 777.6622 25.57233 18.10754       35.86720 
1 1 1 8   8  25 o 452.4498 21.18849 48.68838       4.509616  46.08495       6.327926  51.37511       6.428380  436.4093 31.02680 461.3847 29.77787 -24.97543      43.00446 
1 1 1 8   8  26 o 150.8833 48.49387 5.685994       3.905401  -3.055886      6.146871  11.60350       5.057327  113.1571 51.71129 210.0226 51.56835 -96.86553      73.02980 
1 1 1 8   8  27 o 164.7001 46.34552 7.068927       3.741995  4.620131       5.331284  9.446818       5.253533  147.3187 55.87868 187.9588 55.55268 -40.64012      78.79421 
1 1 1 8   8  28 o 195.0561 49.29573 10.15518       4.525162  2.158145       7.965119  13.96647       5.498747  148.9948 63.78469 227.8233 52.40139 -78.82851      82.54933 
1 1 1 8   8  29 f 427.1388 23.21433 44.04135       4.646870  36.34795       6.208424  53.84168       7.007169  381.7165 34.96421 467.1134 32.08427 -85.39697      47.45415 
1 1 1 8   8  30 o 279.2040 31.34392 19.42541       4.045546  16.75844       5.450202  22.69787       6.037265  249.9953 48.09201 293.8664 45.11557 -43.87108      65.94131 
1 1 1 8   8  31 o 279.9449 30.45057 19.59382       3.945261  16.73376       5.368182  22.95304       5.817783  248.2619 47.70051 294.9913 43.20631 -46.72937      64.35934 
1 1 1 8   8  32 o 245.7937 35.61549 15.64295       3.997954  17.47919       6.800569  14.67316       4.942186  240.9210 60.18248 230.3143 47.20316 10.60663       76.48576 
1 1 1 8   8  33 o 158.8573 47.18224 7.218661       3.782470  5.704519       6.267894  8.085893       4.743578  147.8708 59.25996 164.9833 53.48903 -17.11255      79.82993 
1 1 1 8   8  34 o 106.2412 47.95662 -0.1604935     5.090630  0.000000       0.000000  -0.1604935     5.090630  ?        ?        106.2412 47.95662 0.000000       47.95662 
1 1 1 8   8  35 o 134.6304 48.96055 5.441075       4.012980  -0.8867421     5.488259  12.71106       5.882668  103.6597 47.91040 190.3253 59.31316 -86.66557      76.24603 
1 1 1 8   10 0  o 386.7992 9.867187 35.21826       1.795346  35.73926       2.497482  34.66112       2.582665  389.5042 13.63079 383.5532 14.31440 5.950958       19.76615 
1 1 1 8   10 1  o 497.5132 9.600401 58.26217       2.246794  65.14560       3.938234  54.94067       2.735683  525.7244 15.92480 483.0160 12.04023 42.70837       19.96413 
1 1 1 8   10 2  o 565.8212 9.639624 75.35970       2.565716  79.81570       6.556293  74.55388       2.788071  581.1250 23.98388 562.7449 10.53229 18.38007       26.19457 
1 1 1 8   10 3  o 641.1094 12.65286 96.80313       3.815839  105.6778       7.716216  93.93025       4.390234  668.6100 24.53365 631.3692 14.78206 37.24084       28.64279 
1 1 1 8   10 4  o 945.2144 14.22273 210.4826       6.323864  200.7729       11.27294  214.9414       7.639074  921.3774 26.00941 954.8353 17.00760 -33.45795      31.07648 
1 1 1 8   10 5  o 715.5748 12.24905 120.5703       4.123127  116.7063       6.313644  123.4435       5.444405  703.4489 19.08000 723.7630 15.99134 -20.31415      24.89516 
1 1 1 8   10 6  o 1024.486 12.78834 247.1306       6.162960  253.8528       8.815662  240.7047       8.619142  1037.761 18.05877 1010.520 18.13217 27.24133       25.59091 
1 1 1 8   10 7  o 485.3125 17.90111 55.49731       4.086681  0.000000       0.000000  55.49731       4.086681  ?        ?        485.3125 17.90111 0.000000       17.90111 
1 1 1 8   10 8  o 748.1013 13.79036 131.7484       4.852945  140.7253       8.068934  126.6610       6.074372  772.6226 22.20135 733.3101 17.60939 39.31250       28.33709 
1 1 1 8   10 9  o 1422.641 22.85262 477.0388       15.29328  480.3806       23.11011  474.4352       20.39869  1425.687 34.45947 1417.561 30.59084 8.125610       46.07878 
1 1 1 8   10 10 o 878.9468 13.38538 181.8253       5.534300  192.5347       8.090361  172.4065       7.587210  904.1536 19.02201 855.5981 18.85137 48.55548       26.78079 
1 1 1 8   10 11 f 512.6401 14.54052 61.85807       3.506402  62.90952       4.972646  60.81826       4.945073  516.7854 20.45540 508.1144 20.68911 8.670959       29.09403 
1 1 1 8   10 12 o 289.9477 21.23597 19.91183       2.876268  15.21459       3.941204  25.26431       4.207119  251.5179 34.19791 326.1197 27.68614 -74.60173      44.00022 
1 1 1 8   10 13 o 763.1306 17.58499 137.1403       6.312628  142.1626       7.678166  126.6647       11.08906  776.7767 21.01319 732.3605 32.18847 44.41626       38.44024 
1 1 1 8   10 14 o 591.5620 15.58143 82.39320       4.335877  76.25709       5.959337  89.29513       6.320280  568.7997 22.27252 615.5331 21.82808 -46.73334      31.18542 
1 1 1 8   10 15 o 798.3350 15.03765 150.0630       5.647217  153.4605       8.092546  146.8382       7.884267  806.8865 21.32080 789.2916 21.23511 17.59491       30.09163 
1 1 1 8   10 16 o 1022.518 17.82399 246.3263       8.573241  239.7269       10.71699  258.0559       14.28769  1008.213 22.59702 1045.125 29.06192 -36.91193      36.81332 
1 1 1 8   10 17 o 1076.337 15.92816 272.8988       8.064608  269.0357       11.33525  276.8587       11.47621  1067.869 22.56544 1083.290 22.52084 -15.42102      31.88083 
1 1 1 8   10 18 o 1009.207 16.19765 239.9947       7.689566  234.1811       10.79704  245.9786       10.95404  995.9685 23.04570 1020.786 22.81236 -24.81757      32.42696 
1 1 1 8   10 19 o 588.6612 19.42768 81.76283       5.379671  83.53152       8.868712  80.73318       6.766754  592.5512 31.93536 584.3796 24.61592 8.171631       40.32134 
1 1 1 8   10 20 o 991.8151 19.81883 232.3188       9.246515  233.5381       11.25435  229.7860       16.21990  993.4448 24.08283 982.0999 35.10938 11.34491       42.57524 
1 1 1 8   10 21 o 652.8669 18.07059 100.6738       5.549658  100.8613       8.052844  100.5042       7.658779  651.9547 26.25805 651.0670 25.00717 0.8876953      36.26078 
1 1 1 8   10 22 o 352.7281 27.84845 29.79962       4.583145  30.81624       5.819398  28.13912       7.437348  356.8779 35.11974 336.6741 48.34862 20.20380       59.75772 
1 1 1 8   10 23 o 640.2426 21.76079 97.28593       6.553731  80.29133       12.23144  104.1298       7.761973  571.2363 45.90668 661.4462 24.94642 -90.20996      52.24698 
1 1 1 8   10 24 o 181.5565 41.94260 8.367279       3.509986  4.991859       5.009513  11.62242       4.919451  150.9616 54.73296 212.2980 50.07293 -61.33640      74.18217 
1 1 1 8   10 25 o 388.0966 25.22575 36.18899       4.580253  29.51249       7.256979  40.60952       5.904979  341.7410 46.33792 409.1078 30.91211 -67.36679      55.70244 
1 1 1 8   10 26 o 428.3685 26.94354 44.32812       5.401608  43.59774       6.431854  46.07610       9.950225  422.2327 32.63624 422.9646 51.04207 -0.7318420     60.58397 
1 1 1 8   10 27 o 435.4943 22.27172 45.52600       4.547263  42.67346       6.305593  48.61693       6.563775  416.9244 32.40598 445.6507 31.51368 -28.72635      45.20243 
1 1 1 8   10 28 o 347.1143 29.03215 29.48175       4.696940  28.66992       5.835658  30.97503       7.914599  338.0885 37.31538 343.1652 50.54305 -5.076721      62.82545 
1 1 1 8   10 29 o 130.1602 50.35807 3.423787       4.387773  0.8697979      8.026144  4.512444       5.240144  142.0741 62.39009 143.7661 55.19028 -1.692001      83.29760 
1 1 1 8   10 30 o 111.7374 44.68314 2.084972       3.555192  -1.921737      4.971796  6.277441       5.085741  102.5213 46.71695 155.5259 55.29650 -53.00464      72.38906 
1 1 1 8   10 31 o 136.8960 48.78894 4.747679       3.961404  15.06837       7.076129  0.3665500E-01  4.780782  222.3785 64.11848 109.0933 48.02348 113.2852       80.10889 
1 1 1 8   10 32 o 86.22205 40.25468 -2.732943      4.027638  0.7862664      5.725609  -6.180143      5.666728  119.4765 52.57553 92.37126 44.42737 27.10519       68.83297 
1 1 1 8   10 33 o 242.8022 41.58161 16.14881       4.578413  10.78181       6.314288  22.09869       6.648328  182.1072 61.79204 272.7569 53.72787 -90.64970      81.88370 
1 1 1 8   10 34 o 95.30676 42.15830 0.2260084      3.728095  2.639715       5.612572  -1.679846      4.987288  122.7780 53.06206 98.01540 45.43159 24.76259       69.85422 
1 1 1 8   12 0  o 497.0021 9.206120 58.12513       2.152307  60.60026       3.153224  55.96599       2.945071  507.3450 13.21241 487.5735 12.84063 19.77151       18.42416 
1 1 1 8   12 1  o 1165.534 12.82504 319.8032       7.031582  326.7871       10.41093  313.9450       9.535021  1177.580 18.79446 1154.352 17.55958 23.22778       25.72101 
1 1 1 8   12 2  o 1054.691 14.19507 261.9071       7.042587  256.3615       13.01202  264.2047       8.375357  1042.097 26.54406 1059.083 16.81141 -16.98560      31.41990 
1 1 1 8   12 3  o 773.9840 10.67621 140.9754       3.887036  147.9489       9.626887  139.6171       4.248772  791.8329 25.84539 770.2022 11.72707 21.63068       28.38148 
1 1 1 8   12 4  o 865.4402 12.80076 176.2907       5.211252  0.000000       0.000000  176.2907       5.211252  ?        ?        865.4402 12.80076 0.000000       12.80076 
1 1 1 8   12 5  o 889.0901 14.39336 186.0786       6.019734  182.4316       11.31817  187.5172       7.108557  879.3677 27.36128 892.3760 16.93418 -13.00824      32.17773 
1 1 1 8   12 6  o 690.7524 11.32442 112.2780       3.679660  118.8466       5.234317  105.8602       5.173859  710.5138 15.66096 670.5420 16.40285 39.97180       22.67860 
1 1 1 8   12 7  o 438.8574 12.53414 45.32417       2.587542  46.27420       3.504287  44.18518       3.836974  443.3339 16.80349 433.1554 18.83111 10.17844       25.23822 
1 1 1 8   12 8  o 880.5872 14.11655 182.5079       5.847499  181.7155       7.280947  183.9477       9.814325  878.5056 17.61871 883.5096 23.61456 -5.004089      29.46296 
1 1 1 8   12 9  o 948.6913 13.35278 211.8140       5.958898  214.8104       8.499141  208.9170       8.356967  955.0842 18.91751 941.8949 18.86153 13.18927       26.71385 
1 1 1 8   12 10 o 1662.995 17.80851 651.1883       13.93118  663.7395       20.03546  639.4401       19.38401  1677.979 25.38302 1647.031 25.01916 30.94861       35.64065 
1 1 1 8   12 11 o 920.9377 13.65030 199.6193       5.913463  200.8353       8.297719  198.3643       8.429640  923.4304 19.10228 917.7039 19.52707 5.726563       27.31673 
1 1 1 8   12 12 o 666.5350 15.37661 104.5918       4.821174  95.51131       7.096136  112.3769       6.570501  636.5289 23.69924 690.6567 20.22400 -54.12781      31.15549 
1 1 1 8   12 13 o 1689.117 18.45411 672.0543       14.66298  674.7603       20.76060  669.3608       20.71264  1691.259 26.09520 1684.469 26.13984 6.789063       36.93576 
1 1 1 8   12 14 o 663.6448 17.89646 103.7479       5.586916  107.1081       6.567372  94.94650       10.62881  674.1306 20.70992 632.4056 35.87666 41.72491       41.42506 
1 1 1 8   12 15 o 631.8140 17.22911 94.03948       5.120607  93.74750       6.543940  94.50060       8.223820  630.5110 22.06365 632.5689 27.63735 -2.057922      35.36422 
1 1 1 8   12 16 o 663.6086 19.57502 103.8200       6.110595  101.1891       8.341516  106.8668       8.976784  654.4453 27.09582 672.4094 28.38035 -17.96405      39.23809 
1 1 1 8   12 17 o 731.7457 19.65567 126.2857       6.765772  141.2901       13.40150  121.1534       7.837956  771.3195 36.93600 716.3282 23.26063 54.99133       43.65003 
1 1 1 8   12 18 o 425.7254 19.67656 42.76915       3.940470  44.53836       5.713614  41.16436       5.441661  432.7887 28.21944 416.0441 27.96749 16.74457       39.73056 
1 1 1 8   12 19 o 1098.665 16.65593 284.7247       8.608021  295.7256       12.55411  274.9634       11.82568  1117.988 23.87148 1078.175 23.31674 39.81323       33.36942 
1 1 1 8   12 20 o 667.4439 17.25511 105.1738       5.417535  104.3441       7.678880  105.9961       7.644340  663.5165 24.60236 668.8112 24.29781 -5.294617      34.57832 
1 1 1 8   12 21 o 585.1777 20.30587 81.05085       5.589574  82.04355       7.097169  79.42926       9.070817  587.6442 25.67447 575.2038 33.67078 12.44037       42.34264 
1 1 1 8   12 22 o 308.3398 26.42457 22.80807       3.795688  18.99239       5.456558  26.38549       5.283453  276.4362 43.39066 329.6396 34.58839 -53.20346      55.48970 
1 1 1 8   12 23 o 188.5170 40.19979 8.958172       3.456025  9.792451       4.939883  8.158327       4.836861  194.8244 52.65033 178.9990 53.39808 15.82535       74.98941 
1 1 1 8   12 24 o 271.2065 29.58473 17.88625       3.713079  15.96125       5.491470  19.50756       5.039737  249.3431 48.56531 280.0307 39.34436 -30.68759      62.50254 
1 1 1 8   12 25 o 161.5050 52.45852 6.578718       4.561456  3.147064       5.494863  14.18549       8.180982  139.0911 55.57596 226.6448 69.83430 -87.55367      89.24975 
1 1 1 8   12 26 o 113.6149 44.71985 2.128716       3.508360  1.518510       5.092590  2.679930       4.840168  124.4833 52.02873 129.9300 52.07337 -5.446701      73.61131 
1 1 1 8   12 27 o 392.6008 33.74197 38.03887       6.170926  38.03887       6.170926  0.000000       0.000000  392.6008 33.74197 ?        ?        0.000000       33.74197 
1 1 1 8   12 28 o 207.9735 39.82846 11.14179       3.754576  10.66103       5.188483  11.67029       5.439985  197.5805 54.19522 206.2976 55.03902 -8.717163      77.24258 
1 1 1 8   12 29 o 186.6947 41.53496 9.159665       3.553541  6.315421       5.011957  12.03479       5.039086  156.5780 54.97096 209.6818 51.46955 -53.10374      75.30552 
1 1 1 8   12 30 o 211.8142 43.76082 11.98051       4.215977  16.96492       7.393250  9.578617       5.132213  238.1460 64.43340 184.0651 55.02579 54.08090       84.73193 
1 1 1 8   12 31 o 214.5898 40.95974 12.27992       3.983790  14.51843       6.650908  11.02740       4.975006  218.3637 61.90669 195.9595 52.78689 22.40413       81.35658 
1 1 1 8   12 32 o 93.87392 40.60082 0.4034055      3.290934  6.177171       5.452112  -2.905956      4.127692  149.8266 56.58568 86.29049 40.43663 63.53616       69.54897 
1 1 1 8   12 33 o 67.02686 32.93733 -6.244242      3.604228  -7.511891      5.155824  -5.032700      5.040431  81.77059 40.01909 87.57239 42.06403 -5.801796      58.05954 
1 1 1 8   14 0  o 604.9795 9.692386 86.11086       2.758294  89.49113       3.967567  82.94887       3.837327  616.6427 13.67796 593.6734 13.74080 22.96930       19.38804 
1 1 1 8   14 1  o 904.7501 11.28870 192.6111       4.804429  207.3690       7.401572  181.8653       6.315840  938.5308 16.76510 878.9946 15.27480 59.53619       22.68013 
1 1 1 8   14 2  o 1134.247 17.66433 302.9029       9.424842  0.000000       0.000000  302.9029       9.424842  ?        ?        1134.247 17.66433 0.000000       17.66433 
1 1 1 8   14 3  o 504.2138 9.716228 59.81401       2.304527  71.58146       7.262870  58.49662       2.430104  550.2430 28.15408 498.6198 10.36063 51.62323       29.99991 
1 1 1 8   14 4  o 934.4236 11.86220 205.4593       5.214089  203.0618       13.01774  205.9174       5.690494  927.8259 29.82632 935.4243 12.93219 -7.598389      32.50925 
1 1 1 8   14 5  o 1521.509 15.98014 544.9402       11.43733  555.2914       25.08369  542.2233       12.85097  1533.519 34.77226 1517.542 18.00221 15.97632       39.15597 
1 1 1 8   14 6  o 1415.671 15.51887 471.7452       10.33455  468.4899       21.96424  472.6708       11.71199  1408.795 33.14355 1416.901 17.57203 -8.105713      37.51362 
1 1 1 8   14 7  o 311.1113 15.09366 22.78273       2.208918  24.97627       2.798694  19.15874       3.597296  325.1665 18.37222 283.7491 27.28733 41.41736       32.89585 
1 1 1 8   14 8  o 1236.409 14.51426 359.8211       8.441632  373.3617       12.26730  347.6418       11.63437  1258.973 20.71397 1214.867 20.35847 44.10608       29.04369 
1 1 1 8   14 9  o 359.2458 14.61638 30.37861       2.470022  33.70588       3.380894  26.56964       3.617360  377.8218 19.08463 334.9792 23.09759 42.84259       29.96200 
1 1 1 8   14 10 o 413.4416 14.81325 40.23872       2.880936  44.45728       4.114706  36.18205       4.034983  434.4142 20.13564 391.2256 22.01476 43.18860       29.83444 
1 1 1 8   14 11 o 163.2894 34.34588 6.538670       2.554538  3.561237       3.725515  9.180802       3.509479  132.5179 47.30494 193.4145 39.89756 -60.89659      61.88354 
1 1 1 8   14 12 o 1266.282 15.51097 377.5568       9.239295  361.8067       12.44240  396.9163       13.79465  1238.974 21.34875 1297.533 22.60076 -58.55884      31.08961 
1 1 1 8   14 13 o 842.1602 14.10963 166.9814       5.589585  158.4136       7.495673  177.7139       8.389337  819.8984 19.43485 868.3121 20.53915 -48.41364      28.27667 
1 1 1 8   14 14 o 661.5918 16.11693 103.1006       5.015819  101.3249       6.285895  106.2129       8.321889  655.5797 20.38320 670.6729 26.37800 -15.09314      33.33577 
1 1 1 8   14 15 o 1308.341 16.54802 403.3237       10.18441  391.0387       13.83730  417.8451       15.04415  1287.223 22.85220 1330.373 24.03947 -43.14929      33.16805 
1 1 1 8   14 16 o 363.6896 20.41460 31.30611       3.478415  28.02841       4.700247  35.27472       5.171961  342.8426 29.42979 385.0056 28.76519 -42.16306      41.15275 
1 1 1 8   14 17 o 513.4913 17.43026 62.18756       4.210235  64.37229       5.877004  59.88419       6.034460  521.7963 23.94339 502.4483 25.61663 19.34802       35.06419 
1 1 1 8   14 18 o 85.54639 40.18809 -4.247970      4.120622  -18.08859      9.731874  -1.224587      4.548470  112.1061 54.89009 105.8089 46.69690 6.297241       72.06610 
1 1 1 8   14 19 o 412.1328 20.84147 40.27706       4.027373  42.02815       5.490744  38.23792       5.925163  419.6771 27.97318 399.3643 31.80360 20.31284       42.35526 
1 1 1 8   14 20 o 253.8290 39.48947 15.85685       4.561830  17.50000       9.127810  15.30980       5.266750  258.3422 72.27374 247.2046 47.00957 11.13759       86.21712 
1 1 1 8   14 21 o 204.2058 37.72556 10.35840       3.490382  8.417883       4.886376  12.38003       4.987468  182.4368 53.47890 220.5581 49.30962 -38.12131      72.74223 
1 1 1 8   14 22 o 114.1279 43.51213 2.327430       3.243156  6.592453       4.766316  -1.349688      4.425639  164.1345 53.63877 102.3465 45.56813 61.78807       70.38162 
1 1 1 8   14 23 o 173.8586 44.04308 7.733077       3.606130  6.245542       5.765399  8.689021       4.621810  164.4083 58.83064 183.3340 51.47754 -18.92574      78.17276 
1 1 1 8   14 24 o 257.3322 39.25262 16.58210       4.601088  23.26100       6.806868  10.96314       6.243425  300.7365 49.86307 202.8785 60.70047 97.85799       78.55490 
1 1 1 8   14 25 o 244.0281 31.75648 14.67641       3.559001  17.72866       5.282577  12.13945       4.816082  263.4747 44.18683 215.3605 48.68363 48.11415       65.74627 
1 1 1 8   14 26 o 68.11648 32.86331 -4.650214      3.160805  -9.827344      4.390974  0.9174215      4.553566  70.49289 34.95425 115.2955 48.74986 -44.80257      59.98624 
1 1 1 8   14 27 o 255.3679 31.41645 16.13769       3.694331  16.79881       5.158226  15.44143       5.293548  254.5650 44.70687 242.1054 48.17536 12.45955       65.72343 
1 1 1 8   14 28 o 140.4157 45.43664 5.033524       3.424100  8.256538       4.948386  2.072551       4.742962  174.6035 54.39729 123.2359 50.74128 51.36757       74.38913 
1 1 1 8   14 29 o 155.5663 47.88561 6.476546       3.847700  7.782403       6.533436  5.783137       4.760896  170.7038 62.41182 150.5325 53.50347 20.17128       82.20618 
1 1 1 8   14 30 o 144.9227 46.45302 5.619465       3.585436  9.253865       6.278148  3.860359       4.367785  178.6097 61.59031 131.1734 50.37992 47.43631       79.57074 
1 1 1 8   14 31 o 166.9033 42.44189 7.638056       3.339737  3.784186       5.176264  10.38651       4.371315  133.1861 53.68388 191.4883 48.48143 -58.30217      72.33539 
1 1 1 8   14 32 o 94.40838 41.70518 -0.2904375E-01 3.636495  1.507134       5.291104  -1.404281      5.006270  117.8718 51.23005 101.4133 46.46451 16.45851       69.16262 
1 1 1 8   16 0  o 991.1841 11.74376 231.1806       5.475587  235.8846       7.792049  226.5918       7.696140  1000.986 16.54833 981.0640 16.67656 19.92249       23.49372 
1 1 1 8   16 1  o 476.2994 10.67270 53.37861       2.391242  54.92585       3.521692  52.05503       3.257225  483.0497 15.49852 470.2751 14.72402 12.77454       21.37758 
1 1 1 8   16 2  o 954.3214 16.28094 214.3982       7.308756  0.000000       0.000000  214.3982       7.308756  ?        ?        954.3214 16.28094 0.000000       16.28094 
1 1 1 8   16 3  o 286.6555 11.84477 19.33616       1.597189  0.000000       0.000000  19.33616       1.597189  ?        ?        286.6555 11.84477 0.000000       11.84477 
1 1 1 8   16 4  o 579.0271 10.11509 78.88480       2.755105  78.47801       7.943151  78.94044       2.937464  576.0146 29.41306 579.2170 10.78107 -3.202454      31.32666 
1 1 1 8   16 5  o 1349.215 14.55085 428.4828       9.235039  448.2759       21.37339  423.9394       10.24028  1377.849 32.97633 1341.918 16.22246 35.93164       36.75060 
1 1 1 8   16 6  o 664.1591 11.07003 103.7964       3.458519  110.6718       9.709154  102.7972       3.701307  684.7991 30.14039 660.9310 11.90501 23.86810       32.40636 
1 1 1 8   16 7  o 364.9251 14.82341 31.34865       2.544611  44.97622       7.493367  29.57234       2.705373  434.5826 37.00765 354.4054 16.22772 80.17715       40.40922 
1 1 1 8   16 8  o 450.3584 11.99397 47.73230       2.540918  48.50865       3.355235  46.68837       3.890740  453.9101 15.71389 445.2225 18.57744 8.687531       24.33203 
1 1 1 8   16 9  o 1099.350 13.74833 284.4917       7.109769  287.1051       9.994242  281.8141       10.11633  1103.952 19.24555 1093.693 19.66339 10.25830       27.51436 
1 1 1 8   16 10 o 407.8329 21.29958 39.31013       4.072049  0.000000       0.000000  39.31013       4.072049  ?        ?        407.8329 21.29958 0.000000       21.29958 
1 1 1 8   16 11 o 840.7354 13.16302 166.3959       5.205760  164.9636       7.162077  168.0001       7.579782  836.7720 18.19544 844.3666 19.08343 -7.594604      26.36761 
1 1 1 8   16 12 o 86.40144 35.67083 0.4959380      2.352022  -1.246454      3.151221  2.687506       3.534137  86.20087 38.41018 122.2546 45.68346 -36.05376      59.68517 
1 1 1 8   16 13 o 637.8091 17.21500 95.86039       5.164961  96.38721       5.881348  94.08443       10.79845  639.3845 19.55444 628.7397 36.66992 10.64484       41.55790 
1 1 1 8   16 14 o 542.7086 19.71755 69.47106       5.033720  52.43758       9.144650  76.87589       6.029384  467.3499 42.04649 570.6593 22.46088 -103.3094      47.66968 
1 1 1 8   16 15 o 499.3390 16.14219 58.77608       3.791640  57.17373       5.128429  60.70797       5.631135  492.0001 22.15898 506.8341 23.61896 -14.83398      32.38635 
1 1 1 8   16 16 o 526.3301 16.48242 65.33413       4.080829  59.90240       5.413877  72.48087       6.210020  503.3431 22.86520 553.5463 23.84897 -50.20322      33.03923 
1 1 1 8   16 17 o 445.5523 19.23870 46.89553       4.032216  37.69323       5.657619  56.39516       5.748291  397.0107 30.52835 487.2116 25.16734 -90.20093      39.56483 
1 1 1 8   16 18 f 221.3671 31.04603 11.89648       3.143967  16.69981       4.427564  7.011236       4.465156  261.5685 37.01775 168.9048 51.51390 92.66367       63.43498 
1 1 1 8   16 19 o 750.9951 19.83181 133.4903       7.005977  136.1772       14.09417  132.6086       8.074166  750.2981 40.07845 747.7131 22.95585 2.585022       46.18716 
1 1 1 8   16 20 o 504.5931 19.72402 60.32043       4.681726  63.57063       6.014005  55.32105       7.458768  516.9438 24.73154 478.9599 33.31270 37.98392       41.48958 
1 1 1 8   16 21 o 553.6271 17.39778 72.56223       4.530859  67.38331       6.254977  78.27940       6.571974  531.6619 25.01041 573.2306 24.37234 -41.56866      34.92179 
1 1 1 8   16 22 o 540.7482 22.25146 69.62079       5.660082  68.25211       6.600314  73.42450       11.00317  534.1303 26.26927 544.7079 43.29956 -10.57758      50.64511 
1 1 1 8   16 23 o 400.6059 23.44817 38.45028       4.399446  54.31035       7.513545  30.17566       5.427081  471.8313 34.08166 351.3914 33.22696 120.4399       47.59822 
1 1 1 8   16 24 o 68.10941 32.88128 -4.768916      3.176883  -8.759613      4.427422  -0.5335153     4.561143  73.83004 36.32473 107.3724 47.09477 -33.54236      59.47608 
1 1 1 8   16 25 o 232.1747 39.97977 13.67096       4.208858  12.22949       8.327047  14.16559       4.877803  211.0734 70.96359 233.9046 45.97111 -22.83116      84.55280 
1 1 1 8   16 26 o 177.3397 40.16356 8.116732       3.272702  6.797224       4.662180  9.398568       4.595147  162.3140 53.04985 187.7460 50.79781 -25.43192      73.44865 
1 1 1 8   16 27 o 127.1365 43.84052 3.878669       3.180957  3.526312       4.697364  4.177103       4.323020  133.6310 51.99184 136.4601 50.61723 -2.829056      72.56208 
1 1 1 8   16 28 o 237.5361 38.21001 14.47835       4.124732  13.23385       4.904612  17.48514       7.623567  221.5908 48.40701 244.1664 65.16178 -22.57561      81.17448 
1 1 1 8   16 29 o 290.5456 28.43578 20.92121       3.836593  23.14210       6.239892  19.57131       4.864792  293.9375 46.68987 275.2005 38.64411 18.73700       60.60785 
1 1 1 8   16 30 o 97.56187 40.42084 1.168725       3.035532  -3.347206      5.066363  3.697771       3.791411  96.06237 44.94672 125.6233 47.24332 -29.56091      65.20842 
1 1 1 8   16 31 o 149.5387 54.35218 6.290132       4.944492  0.000000       0.000000  6.290132       4.944492  ?        ?        149.5387 54.35218 0.000000       54.35218 
1 1 1 8   18 0  o 1669.061 19.39709 656.2107       15.22923  664.4587       18.76781  640.3092       26.05895  1678.879 23.76429 1646.204 33.65145 32.67444       41.19663 
1 1 1 8   18 1  o 296.0083 12.84111 20.62227       1.788034  25.44593       2.480855  15.40800       2.579345  328.7485 16.04236 254.7841 21.72896 73.96445       27.00935 
1 1 1 8   18 2  o 1245.676 16.05462 365.3466       9.407507  507.4316       22.14830  334.0699       10.39147  1465.747 32.12271 1190.954 18.54866 274.7925       37.09341 
1 1 1 8   18 3  o 532.8582 11.53662 66.81923       2.891741  68.40072       7.766978  66.56473       3.115739  537.3422 30.85727 531.8182 12.45456 5.523987       33.27593 
1 1 1 8   18 4  o 128.7393 22.90819 4.023828       1.336457  -2.409631      5.367002  4.449124       1.379925  111.0059 49.74610 135.6096 22.41507 -24.60374      54.56290 
1 1 1 8   18 5  o 1111.107 15.46112 290.6729       8.081017  313.6148       16.86951  283.8406       9.206011  1152.287 31.12236 1097.782 17.82733 54.50525       35.86663 
1 1 1 8   18 6  o 1172.319 18.73348 323.7624       10.33079  324.9109       17.31207  323.1273       12.87430  1172.703 31.38279 1170.647 23.37913 2.056641       39.13391 
1 1 1 8   18 7  o 1067.193 21.49781 268.4666       10.79212  263.7634       15.20129  273.2462       15.32417  1056.604 30.58432 1075.476 30.29053 -18.87183      43.04552 
1 1 1 8   18 8  f 1212.376 17.06118 346.2274       9.730063  341.8549       18.28476  347.9547       11.49235  1202.378 32.32801 1215.044 20.10700 -12.66614      38.07087 
1 1 1 8   18 9  o 916.4902 15.83137 197.8330       6.825205  191.2010       13.13733  200.2847       7.987800  899.2202 31.05788 921.9255 18.41883 -22.70526      36.10880 
1 1 1 8   18 10 o 396.9514 13.15567 37.09974       2.456517  39.03620       3.220453  34.40526       3.798830  407.0435 16.81925 381.3529 21.26105 25.69058       27.10940 
1 1 1 8   18 11 o 1260.450 15.05849 374.2461       8.928453  383.9679       12.80254  365.0405       12.45799  1275.731 21.33378 1243.898 21.29088 31.83264       30.14021 
1 1 1 8   18 12 o 136.0310 33.53904 4.563089       2.132555  3.851346       2.791386  5.560874       3.305039  128.4251 40.96898 151.1117 43.89264 -22.68660      60.04183 
1 1 1 8   18 13 o 745.2970 17.19757 130.9847       6.029285  124.4947       11.76980  133.2937       7.020380  723.7633 34.57032 751.5140 19.85885 -27.75073      39.86830 
1 1 1 8   18 14 o 176.9043 30.78063 7.639654       2.468418  8.459877       3.209256  6.451491       3.862570  185.0252 38.14045 162.2613 47.54252 22.76389       60.95068 
1 1 1 8   18 15 o 756.8529 14.20375 135.0407       5.056895  130.0087       6.778493  141.3560       7.593815  741.8740 19.42378 773.3148 20.87538 -31.44073      28.51429 
1 1 1 8   18 16 o 472.3805 17.73728 52.69950       3.941380  53.26992       5.730536  52.18743       5.429543  473.1563 25.84448 468.5392 24.72225 4.617035       35.76489 
1 1 1 8   18 17 o 337.4554 20.14269 27.04063       3.182863  30.12137       4.416780  23.71241       4.590755  355.0151 26.64210 313.6834 31.53910 41.33167       41.28579 
1 1 1 8   18 18 o 601.6736 15.85993 85.51167       4.488812  86.89094       6.326572  84.11344       6.369929  605.2596 22.22068 595.3886 22.74389 9.871033       31.79691 
1 1 1 8   18 19 o 164.6770 39.99964 6.830449       3.067800  3.392327       3.958525  12.00060       4.854274  130.6345 48.44033 216.9385 48.75559 -86.30402      68.72826 
1 1 1 8   18 20 f 887.9105 16.12893 186.4991       6.736652  182.3490       9.663941  190.4221       9.395844  875.1728 23.47422 894.8542 22.32103 -19.68146      32.39240 
1 1 1 8   18 21 o 605.9484 16.64878 86.95269       4.745561  90.51828       6.752643  83.47324       6.670581  616.2380 23.29464 591.5399 23.97233 24.69818       33.42623 
1 1 1 8   18 22 o 166.5529 40.67847 7.074671       3.159576  6.507135       4.855826  7.491383       4.160871  162.3750 54.19228 170.6252 49.15902 -8.250168      73.16702 
1 1 1 8   18 23 o 436.5794 23.40311 45.67488       4.788746  42.92129       5.520708  54.04282       9.623976  421.4920 28.00364 464.1975 44.62388 -42.70554      52.68296 
1 1 1 8   18 24 o 395.8554 20.78067 37.46681       3.856066  39.03733       5.634398  36.08315       5.288614  400.5583 30.12341 385.3295 29.39884 15.22885       42.09170 
1 1 1 8   18 25 o 278.9957 29.09702 19.04647       3.762511  19.13651       4.981503  18.92687       5.740932  275.2827 39.60969 270.2199 46.86313 5.062775       61.36025 
1 1 1 8   18 26 o 72.87419 34.98962 -4.628945      3.479686  -7.137337      7.794720  -4.004638      3.888675  113.7892 53.99915 81.19846 38.41805 32.59077       66.27106 
1 1 1 8   18 27 o 168.1266 38.15405 7.343621       2.948359  6.254623       4.129873  8.475560       4.210513  154.2950 49.89720 177.1397 48.91733 -22.84464      69.87586 
1 1 1 8   18 28 o 84.76531 37.92390 -0.8658710     3.105478  5.859097       4.956997  -5.210477      3.984270  151.1800 54.50148 77.21436 37.16542 73.96561       65.96726 
1 1 1 8   18 29 o 263.9508 38.58893 18.17876       4.649791  16.63496       5.777716  21.01665       7.833559  242.8246 52.13941 262.9446 63.94809 -20.11996      82.50986 
1 1 1 8   18 30 o 108.6982 43.08222 2.289829       3.277182  0.1449465      5.105263  3.793104       4.274011  110.7787 49.15173 127.8279 49.63257 -17.04922      69.85188 
1 1 1 8   20 0  o 1892.145 21.53885 844.1290       19.17106  850.5774       23.54708  831.4507       33.01698  1898.204 26.37090 1873.259 37.46884 24.94507       45.81854 
1 1 1 8   20 1  o 1423.770 18.04751 477.6007       12.08722  496.1356       23.04960  470.5704       14.19568  1448.013 33.83932 1412.767 21.36075 35.24634       40.01726 
1 1 1 8   20 2  o 1289.933 14.50603 391.7964       8.802075  430.6877       13.85408  365.4711       11.39824  1351.489 21.79194 1245.286 19.45805 106.2034       29.21480 
1 1 1 8   20 3  o 475.5461 14.00240 53.24618       3.132308  62.42569       7.647098  51.39556       3.433562  512.7939 31.85942 467.1479 15.62504 45.64600       35.48471 
1 1 1 8   20 4  o 1135.551 13.29733 303.5881       7.102975  320.1546       17.04809  300.1082       7.813453  1163.528 31.14795 1128.898 14.71360 34.63000       34.44830 
1 1 1 8   20 5  o 393.6698 15.40492 36.50144       2.852731  40.24971       7.023860  35.76100       3.121809  410.4418 36.76907 389.5960 17.03423 20.84576       40.52320 
1 1 1 8   20 6  o 1148.678 13.40515 310.6856       7.243348  331.4507       18.17868  306.7667       7.897336  1183.188 32.66173 1141.281 14.71021 41.90796       35.82149 
1 1 1 8   20 7  o 928.9826 12.10511 203.1786       5.289878  185.6718       12.88053  206.7304       5.801731  885.6784 30.91635 936.9841 13.16304 -51.30566      33.60188 
1 1 1 8   20 8  o 934.4563 12.21100 205.6008       5.367592  173.0678       12.42810  213.0607       5.951258  854.8604 30.90582 951.1625 13.30101 -96.30212      33.64650 
1 1 1 8   20 9  o 487.6399 15.04392 56.02864       3.450878  0.000000       0.000000  56.02864       3.450878  ?        ?        487.6399 15.04392 0.000000       15.04392 
1 1 1 8   20 10 o 967.3692 16.68635 220.6317       7.593167  218.7872       14.75578  221.2961       8.855658  960.0557 32.67356 968.4093 19.43983 -8.353577      38.01933 
1 1 1 8   20 11 o 740.6828 12.11306 129.2149       4.220419  133.8017       5.865847  124.2921       6.076895  753.2566 16.55459 725.8477 17.79782 27.40887       24.30673 
1 1 1 8   20 12 o 860.2189 14.02401 174.4067       5.674800  177.8501       7.243787  168.9358       9.130594  868.1270 17.73835 845.1398 22.96684 22.98718       29.01938 
1 1 1 8   20 13 o 219.1695 21.01674 11.45945       2.140209  13.68731       2.777157  8.201359       3.358444  239.0698 25.06783 181.5524 40.36953 57.51743       47.51941 
1 1 1 8   20 14 o 254.7272 27.94547 15.59696       3.293549  17.50000       7.458414  15.13598       3.670847  261.3939 61.65641 250.0621 31.93616 11.33179       69.43652 
1 1 1 8   20 15 o 513.1784 14.33280 62.12817       3.459942  62.06118       4.734945  62.20494       5.068234  512.2222 19.65112 512.6064 21.01858 -0.3841553     28.77407 
1 1 1 8   20 16 o 632.3923 14.22931 94.37630       4.232917  100.7348       5.987971  88.02516       5.984528  652.3915 19.51201 609.5741 20.87056 42.81738       28.57095 
1 1 1 8   20 17 o 664.9414 14.44385 104.3951       4.517889  106.0315       6.257836  102.6137       6.529328  668.9811 19.88571 657.8099 21.10079 11.17114       28.99456 
1 1 1 8   20 18 o 322.5410 21.47648 24.80724       3.239868  21.26659       4.086792  30.79667       5.315384  296.6155 29.68868 356.7617 32.01352 -60.14624      43.66100 
1 1 1 8   20 19 o 236.3216 24.97197 13.46261       2.733992  8.822893       3.693325  19.08714       4.066447  186.3189 43.01123 280.1288 31.39975 -93.80988      53.25326 
1 1 1 8   20 20 o 300.6837 21.36648 21.60759       3.002450  20.99802       4.122837  22.29593       4.381136  294.0645 30.23536 302.8004 31.20529 -8.735901      43.45052 
1 1 1 8   20 21 o 450.6813 17.50501 48.15870       3.711087  48.79032       5.299796  47.55106       5.198219  451.0671 25.07649 445.3417 24.91362 5.725403       35.34853 
1 1 1 8   20 22 o 268.9107 24.67650 17.44159       3.086663  22.34893       4.456542  12.91692       4.279253  302.3863 31.80729 225.6272 41.86002 76.75909       52.57343 
1 1 1 8   20 23 o 521.1404 17.59845 64.50164       4.314182  58.75757       5.984794  70.71529       6.224621  494.0078 25.84390 543.2640 24.35750 -49.25616      35.51331 
1 1 1 8   20 24 o 238.0712 40.50599 14.42080       4.373768  14.42080       4.373768  0.000000       0.000000  238.0712 40.50599 ?        ?        0.000000       40.50599 
1 1 1 8   20 25 o 599.8770 16.86163 85.59606       4.758073  75.54118       6.332863  98.62919       7.210011  560.3202 24.02672 640.2996 23.93775 -79.97937      33.91607 
1 1 1 8   20 26 o 248.9315 27.80126 15.25228       3.199867  13.59519       4.288365  17.33392       4.806402  228.9001 41.34860 259.4419 40.72424 -30.54179      58.03594 
1 1 1 8   20 27 o 87.12646 39.96656 -1.980362      3.719216  0.000000       0.000000  -1.980362      3.719216  ?        ?        87.12646 39.96656 0.000000       39.96656 
1 1 1 8   20 28 o 253.4828 27.76384 15.98395       3.256380  24.49168       5.704671  11.87187       3.966018  305.7338 40.67539 211.1050 41.41745 94.62872       58.05077 
1 1 1 8   20 29 o 207.7600 33.84345 11.19225       3.193675  17.36029       5.517285  8.084119       3.916530  248.5791 48.92571 169.1717 47.34734 79.40736       68.08448 
1 1 1 8   22 0  o 1205.240 19.36928 342.6480       10.98136  0.000000       0.000000  342.6480       10.98136  ?        ?        1205.240 19.36928 0.000000       19.36928 
1 1 1 8   22 1  o 521.1977 11.84265 63.96127       2.903491  65.16053       4.161017  62.82324       4.053410  525.7699 16.82420 516.2631 16.69091 9.506775       23.69895 
1 1 1 8   22 2  o 1257.988 14.41493 372.8211       8.530184  396.8630       12.99294  354.6082       11.30867  1296.666 21.30149 1226.026 19.60841 70.63904       28.95243 
1 1 1 8   22 3  o 349.9266 16.84688 28.86565       2.773102  40.66588       6.870016  26.56872       3.031003  412.1924 35.78656 335.0440 19.31344 77.14847       40.66555 
1 1 1 8   22 4  o 126.4873 39.01435 3.804994       2.552626  0.000000       0.000000  3.804994       2.552626  ?        ?        126.4873 39.01435 0.000000       39.01435 
1 1 1 8   22 5  o 329.7756 13.17148 25.61685       2.043254  26.38229       6.663883  25.53742       2.146651  329.3884 44.11629 329.2376 13.86062 0.1508179      46.24245 
1 1 1 8   22 6  o 391.3344 11.32834 36.06121       2.085373  30.17241       7.060642  36.62400       2.182748  352.6346 43.48600 394.3582 11.76640 -41.72354      45.04975 
1 1 1 8   22 7  o 547.7841 10.42627 70.64974       2.686630  76.63496       8.867721  70.04484       2.819126  566.8337 33.40496 545.4026 10.98824 21.43109       35.16579 
1 1 1 8   22 8  o 1126.849 14.70398 299.3145       7.794173  0.000000       0.000000  299.3145       7.794173  ?        ?        1126.849 14.70398 0.000000       14.70398 
1 1 1 8   22 9  o 634.2992 10.46194 94.74303       3.121589  102.9727       10.03574  93.86153       3.284519  657.8967 32.42816 631.2971 11.06034 26.59955       34.26247 
1 1 1 8   22 10 o 353.9770 10.31133 29.50759       1.716956  29.40845       7.552428  29.51299       1.763122  346.0236 47.66432 353.9973 10.58798 -7.973724      48.82615 
1 1 1 8   22 11 o 393.1231 19.07973 36.51840       3.528338  35.40429       8.197929  36.77170       3.908904  380.0707 46.84472 393.7123 21.18395 -13.64157      51.41194 
1 1 1 8   22 12 o 482.5697 16.61682 54.98270       3.772048  50.35672       8.691877  56.05608       4.186859  455.7003 40.98603 487.0621 18.27405 -31.36176      44.87533 
1 1 1 8   22 13 o 115.2882 30.45778 3.283482       1.676499  2.718838       2.080328  4.329556       2.831560  108.4098 35.43712 133.7443 41.06387 -25.33458      54.24049 
1 1 1 8   22 14 o 448.5087 13.36426 47.45409       2.819584  50.15465       3.847519  44.32138       4.143948  460.5703 17.75888 432.6027 20.36366 27.96759       27.01956 
1 1 1 8   22 15 f 330.8445 22.51316 26.09923       3.482884  3.466112       8.022574  31.35567       3.866230  162.8986 66.40540 362.7161 22.77516 -199.8176      70.20245 
1 1 1 8   22 16 o 254.3390 20.46986 15.43742       2.428310  15.16689       3.200249  15.80458       3.728188  250.6102 27.60444 254.8361 31.79203 -4.225906      42.10390 
1 1 1 8   22 17 o 205.6978 25.51240 10.23692       2.415609  11.17165       3.265017  9.106536       3.590507  212.9640 33.71466 189.9102 41.36316 23.05379       53.36280 
1 1 1 8   22 18 o 721.7829 14.28945 123.0999       4.851671  121.7886       6.798388  124.4609       6.925991  716.2908 20.17656 724.0543 20.33487 -7.763489      28.64613 
1 1 1 8   22 19 o 363.1704 18.00726 31.26466       3.076290  31.42732       4.265602  31.08836       4.440745  361.9291 25.21205 359.6133 26.43664 2.315857       36.53141 
1 1 1 8   22 20 o 312.5191 20.12864 23.30755       2.943366  24.15301       4.209442  22.49874       4.117186  315.8775 28.64076 304.6464 29.08325 11.23111       40.81824 
1 1 1 8   22 21 o 222.2192 26.78818 12.01186       2.743780  10.28432       3.729864  14.04920       4.050522  201.1321 40.81717 237.1206 37.56596 -35.98856      55.47290 
1 1 1 8   22 22 o 168.2433 43.50071 7.312093       3.468164  9.149822       6.957800  6.704539       4.000584  188.2272 64.84235 161.4202 48.65589 26.80708       81.06741 
1 1 1 8   22 23 o 154.8676 36.70224 6.130116       2.632885  7.434589       3.725544  4.828555       3.721383  168.7053 45.77845 140.5421 47.43880 28.16316       65.92500 
1 1 1 8   22 24 o 316.3176 21.51429 24.07325       3.182227  26.22411       4.630935  22.14897       4.380221  326.6301 30.49263 299.5045 31.56553 27.12558       43.88831 
1 1 1 8   22 25 o 282.9897 28.00087 19.67796       3.678536  21.59134       4.311337  14.55708       7.053159  294.8939 31.57019 224.4697 63.79087 70.42418       71.17550 
1 1 1 8   22 26 o 123.4748 40.06654 3.853859       2.661185  4.271701       4.302258  3.594912       3.386847  135.3734 50.43977 124.0725 45.00075 11.30087       67.59614 
1 1 1 8   22 27 o 138.8254 39.28774 5.111933       2.681130  4.583829       4.369184  5.430911       3.395633  136.9507 50.86942 142.5155 45.15680 -5.564835      68.02084 
1 1 1 8   24 0  o 663.8742 11.97234 103.8225       3.738815  117.2414       5.866379  94.64346       4.851876  704.8201 17.69386 633.4271 16.28335 71.39301       24.04621 
1 1 1 8   24 1  o 667.3599 12.71410 104.9366       3.991304  106.1926       4.752959  101.9322       7.350858  671.1036 15.05585 656.2863 23.81088 14.81738       28.17155 
1 1 1 8   24 2  o 709.4006 12.15714 118.5576       4.056880  128.2297       6.272155  111.6007       5.319433  737.0427 18.09068 687.8088 16.44100 49.23395       24.44543 
1 1 1 8   24 3  o 633.1256 14.37960 94.49826       4.282585  89.71463       8.814776  95.97627       4.899719  614.4141 30.49867 637.8442 16.33004 -23.43011      34.59536 
1 1 1 8   24 4  o 153.9700 31.30509 5.838151       2.190118  2.636445       6.083483  6.314908       2.347523  144.9440 58.27749 160.1112 32.28323 -15.16721      66.62186 
1 1 1 8   24 5  f 313.3296 12.52902 23.13386       1.846663  21.57253       6.646790  23.26446       1.922344  294.8886 49.68251 314.1901 13.00677 -19.30148      51.35687 
1 1 1 8   24 6  o 577.6774 10.53892 78.59637       2.863854  102.1700       9.837090  76.41335       2.993521  654.9955 31.92706 569.5502 11.17329 85.44537       33.82573 
1 1 1 8   24 7  o 631.0313 13.28732 93.87014       3.944188  88.19858       9.595701  95.02316       4.326576  607.0348 33.73731 634.7588 14.48993 -27.72400      36.71735 
1 1 1 8   24 8  o 585.3223 22.71856 81.14426       6.255257  85.04757       9.342579  77.97266       8.421488  595.9233 33.46326 571.1189 31.46822 24.80438       45.93516 
1 1 1 8   24 9  o 386.7966 28.52469 35.78563       5.153444  43.51962       7.608555  29.23009       7.004947  424.0175 38.56769 345.1745 44.15354 78.84299       58.62595 
1 1 1 8   24 10 o 374.4979 30.03300 33.64515       5.246241  29.35493       7.322939  38.16885       7.519578  344.9273 46.30147 395.8589 40.97483 -50.93164      61.82849 
1 1 1 8   24 11 o 233.3906 18.72071 12.96587       2.038002  -6.049346      6.511494  15.03089       2.145811  108.3426 50.77610 251.4656 18.26494 -143.1230      53.96128 
1 1 1 8   24 12 o 395.5158 10.44008 36.86224       1.942392  0.000000       0.000000  36.86224       1.942392  ?        ?        395.5158 10.44008 0.000000       10.44008 
1 1 1 8   24 13 o 791.2531 35.71239 150.6837       13.29241  150.6837       13.29241  0.000000       0.000000  791.2531 35.71239 ?        ?        0.000000       35.71239 
1 1 1 8   24 14 o 468.3128 18.21496 51.91327       4.012672  0.000000       0.000000  51.91327       4.012672  ?        ?        468.3128 18.21496 0.000000       18.21496 
1 1 1 8   24 15 o 572.6936 12.35609 77.37882       3.328684  87.49262       4.788628  67.92274       4.630304  608.1909 16.73794 535.5627 18.37934 72.62811       24.85877 
1 1 1 8   24 16 o 235.6270 18.54893 13.23391       2.039329  12.11848       2.610835  14.97943       3.266046  224.1207 25.20149 248.6954 28.42886 -24.57474      37.99099 
1 1 1 8   24 17 o 661.5331 17.67245 103.6614       5.499432  92.36029       11.28261  107.1830       6.298276  614.8679 39.21285 672.0344 19.92328 -57.16650      43.98392 
1 1 1 8   24 18 o 231.6591 21.66539 12.87475       2.333526  13.45804       3.049304  12.05038       3.625091  235.3703 28.09630 220.2181 36.25629 15.15225       45.86852 
1 1 1 8   24 19 o 275.8208 20.29781 18.18433       2.615069  17.65553       3.513278  18.84130       3.915934  269.7918 28.09522 278.0887 30.43190 -8.296875      41.41790 
1 1 1 8   24 20 o 231.6531 33.94205 13.29175       3.588955  9.958384       4.000134  27.05113       8.127034  196.6574 44.30412 321.3591 55.78494 -124.7017      71.23773 
1 1 1 8   24 21 o 340.8866 18.51628 27.71443       2.958017  28.06272       4.173134  27.36274       4.193476  340.6833 26.24211 336.2112 26.73590 4.472137       37.46273 
1 1 1 8   24 22 f 506.8894 21.55443 61.45443       5.139479  0.000000       0.000000  61.45443       5.139479  ?        ?        506.8894 21.55443 0.000000       21.55443 
1 1 1 8   24 23 o 225.0215 30.87791 12.57607       3.182269  10.45184       6.864930  13.15746       3.591449  194.2387 64.41684 228.8418 34.42950 -34.60307      73.04053 
1 1 1 8   24 24 o 377.9226 17.71657 34.08624       3.149574  37.63623       4.603880  30.96319       4.318176  393.5830 24.99635 356.4085 25.93411 37.17444       36.01938 
1 1 1 8   24 25 o 91.84726 42.40907 -2.492702      4.284627  -2.272592      5.765203  -2.764269      6.403731  108.9013 49.88314 112.9789 52.05309 -4.077560      72.09613 
1 1 1 8   26 0  o 458.3848 11.63796 49.51583       2.509437  50.29727       3.431130  48.61709       3.679650  461.6098 15.80130 453.6797 17.24201 7.930115       23.38735 
1 1 1 8   26 1  f 496.4216 13.14078 58.10522       3.068607  59.12654       3.620358  55.49941       5.782845  500.5372 15.37609 482.8499 25.55103 17.68726       29.82078 
1 1 1 8   26 2  o 620.0496 12.39529 90.62598       3.615367  96.85184       5.542719  86.01559       4.769713  640.1423 18.40675 603.5139 16.80102 36.62836       24.92153 
1 1 1 8   26 3  o 553.3948 17.09665 72.33595       4.450567  80.43996       8.487672  69.26279       5.226746  579.9017 31.22975 541.0040 20.53816 38.89764       37.37798 
1 1 1 8   26 4  o 131.6219 34.00664 4.298829       2.120541  5.502378       5.803994  4.113420       2.278029  161.7431 58.87189 129.1440 36.09748 32.59906       69.05743 
1 1 1 8   26 5  o 299.1031 12.41811 21.09075       1.747212  16.23068       6.454709  21.47501       1.814970  252.2778 55.86499 301.7946 12.78465 -49.51678      57.30920 
1 1 1 8   26 6  o 136.3179 47.99480 4.048135       3.822304  5.017836       6.127465  3.430440       4.890451  160.0507 60.08496 139.2948 53.35424 20.75583       80.35470 
1 1 1 8   26 7  o 270.6321 45.86714 18.24316       5.630617  0.000000       0.000000  18.24316       5.630617  ?        ?        270.6321 45.86714 0.000000       45.86714 
1 1 1 8   26 8  o 227.4917 43.84903 12.94440       4.522265  11.37634       6.691383  14.26278       6.135597  211.0465 62.77151 235.7899 56.12676 -24.74338      84.20496 
1 1 1 8   26 9  o 253.7752 39.29909 15.87690       4.539729  12.36920       6.661884  18.91796       6.202947  219.0150 61.91116 274.0946 49.94959 -55.07956      79.54843 
1 1 1 8   26 10 o 203.6889 48.49162 10.54257       4.579379  10.23781       6.559381  10.83234       6.396144  201.2040 62.62012 205.8831 61.40191 -4.679123      87.70105 
1 1 1 8   26 11 f 341.0352 32.50192 28.11368       5.150983  33.26397       7.522563  23.56718       7.067861  367.1907 44.45756 305.9452 50.89886 61.24554       67.58083 
1 1 1 8   26 12 o 351.7005 33.12679 29.93739       5.415943  24.38169       7.669464  35.46374       7.649177  309.5270 54.67343 379.3440 43.66251 -69.81696      69.96856 
1 1 1 8   26 13 o 269.7654 58.07877 18.84958       7.152006  0.000000       0.000000  18.84958       7.152006  ?        ?        269.7654 58.07877 0.000000       58.07877 
1 1 1 8   26 14 o 491.2433 9.739621 56.87067       2.250650  46.70036       9.050023  57.54114       2.323652  434.5524 44.92131 494.1045 9.997307 -59.55209      46.02032 
1 1 1 8   26 15 o 357.8530 16.98311 30.31186       2.858848  15.20214       7.511848  32.87102       3.091487  239.0573 65.06044 372.5601 17.64013 -133.5028      67.40946 
1 1 1 8   26 16 o 102.2876 30.28927 2.554187       1.560565  3.280047       1.935603  1.206005       2.637935  115.3502 33.61456 96.22321 38.48592 19.12704       51.09898 
1 1 1 8   26 17 o 62.09099 27.57601 -0.5443452     1.610727  -0.3262686     2.029480  -0.9155113     2.647673  72.46021 31.60717 78.94640 35.19051 -6.486191      47.30100 
1 1 1 8   26 18 o 343.8094 14.66763 27.97008       2.372176  26.50091       3.102021  30.03934       3.681427  333.2484 19.87874 354.2621 22.20354 -21.01376      29.80204 
1 1 1 8   26 19 o 151.0678 59.23819 4.310345       6.134577  0.000000       0.000000  4.310345       6.134577  ?        ?        151.0678 59.23819 0.000000       59.23819 
1 1 1 8   26 20 o 209.8776 49.11285 11.60899       4.762780  8.641499       6.654056  14.72652       6.820193  182.7924 63.38602 231.3207 61.58510 -48.52838      88.37711 
1 1 1 8   26 21 o 186.5266 62.52420 9.357908       6.464030  0.000000       0.000000  9.357908       6.464030  ?        ?        186.5266 62.52420 0.000000       62.52420 
1 1 1 8   26 23 o 107.5637 46.87934 0.1014993      4.456041  7.315696       6.284251  -7.193818      6.319484  167.4367 61.21117 98.45026 47.23867 68.98645       77.31947 
1 1 1 8   28 0  o 343.5373 12.54462 27.82915       2.027219  28.62125       2.626275  26.66144       3.188727  348.1095 16.03818 334.9523 20.33411 13.15723       25.89786 
1 1 1 8   28 1  o 392.1138 15.02412 36.29559       2.771217  38.47456       3.346380  31.53984       4.943789  403.4341 17.63329 362.5556 29.23640 40.87854       34.14235 
1 1 1 8   28 2  o 519.0458 13.12669 63.54266       3.205015  69.29144       5.258944  60.14581       4.042491  540.9005 20.66863 504.5001 17.03407 36.40045       26.78343 
1 1 1 8   28 3  o 69.63390 28.62617 0.3761479      1.506633  5.463734       5.598713  -0.2104111E-01 1.564339  159.8046 57.87401 66.39066 28.34053 93.41396       64.44057 
1 1 1 8   28 4  o 109.4654 27.85262 2.963324       1.437713  3.900119       5.718247  2.900109       1.485430  149.0573 57.53866 108.3884 28.68629 40.66885       64.29308 
1 1 1 8   28 5  o 900.8904 11.77665 191.3315       4.990719  208.7693       13.67905  188.6539       5.360205  934.6228 31.11361 894.3885 12.74048 40.23425       33.62108 
1 1 1 8   28 6  o 514.2431 31.83624 63.49585       7.663351  0.000000       0.000000  63.49585       7.663351  ?        ?        514.2431 31.83624 0.000000       31.83624 
1 1 1 8   28 7  o 413.7096 27.42661 40.95230       5.307221  40.57670       8.134558  41.23068       7.002998  406.7754 43.17171 412.4607 36.46960 -5.685303      56.51397 
1 1 1 8   28 8  o 201.1951 47.72591 10.28105       4.448678  3.439358       6.511677  16.26932       6.092030  151.7480 60.54399 252.5279 52.97485 -100.7799      80.44817 
1 1 1 8   28 9  o 498.1868 37.79100 60.22593       8.790274  60.22593       8.790274  0.000000       0.000000  498.1868 37.79100 ?        ?        0.000000       37.79100 
1 1 1 8   28 10 o 344.8178 32.36917 28.76115       5.188925  37.12842       7.869333  22.32462       6.901957  388.0215 43.88486 297.0855 51.23888 90.93604       67.46335 
1 1 1 8   28 11 o 409.4782 28.96533 40.29047       5.543286  41.94412       8.000155  38.76338       7.687943  413.2547 41.72531 397.1098 41.78252 16.14490       59.04897 
1 1 1 8   28 12 o 262.1936 41.12669 17.10252       4.905549  13.32937       6.840757  21.09691       7.038454  225.1775 62.41629 286.7585 54.16363 -61.58098      82.64075 
1 1 1 8   28 13 o 380.7327 31.17821 35.05458       5.534976  32.07491       7.560590  38.49584       8.125141  358.4117 45.89838 393.6592 44.66820 -35.24750      64.04615 
1 1 1 8   28 14 o 274.7764 38.23659 18.69144       4.808339  10.83234       6.582204  27.68431       7.040992  203.6198 62.62348 331.9333 46.35866 -128.3135      77.91550 
1 1 1 8   28 15 o 313.3864 46.37088 24.80975       6.629510  24.80975       6.629510  0.000000       0.000000  313.3864 46.37088 ?        ?        0.000000       46.37088 
1 1 1 8   28 16 f 316.8576 34.11262 24.63514       5.004373  18.38288       6.814099  31.95601       7.373455  263.7855 56.60909 356.2976 44.99684 -92.51208      72.31393 
1 1 1 8   28 17 o 200.7689 45.95563 10.44992       4.246416  12.80024       5.990833  8.076695       6.019949  218.4620 57.50919 178.1659 60.33523 40.29613       83.35255 
1 1 1 8   28 18 o 233.2449 40.81979 13.83908       4.315554  5.306183       5.753071  24.81867       6.525963  155.0090 58.21488 311.3514 45.93790 -156.3424      74.15702 
1 1 1 8   28 19 o 211.2013 46.69514 11.71343       4.515871  12.58918       6.403950  10.84721       6.369005  213.4115 60.83147 198.8960 61.67237 14.51556       86.62534 
1 1 1 8   28 20 o 251.5506 40.18613 16.18480       4.595174  12.61594       6.360891  20.08026       6.645567  212.2162 60.67375 272.9526 53.67065 -60.73642      81.00520 
1 1 1 8   30 0  o 273.4105 14.47122 17.69829       1.854560  20.84801       2.455189  13.51329       2.830067  296.3555 17.69249 236.9057 25.81298 59.44974       31.29431 
1 1 1 8   30 1  o 296.2076 18.92893 20.85413       2.623711  23.52654       3.368661  16.73306       4.183217  313.9466 22.96983 261.6994 34.84735 52.24716       41.73669 
1 1 1 8   30 2  o 752.0495 22.11395 134.2152       7.823159  0.000000       0.000000  134.2152       7.823159  ?        ?        752.0495 22.11395 0.000000       22.11395 
1 1 1 8   30 3  o 171.5792 19.87923 7.065931       1.574754  13.22830       6.194149  6.640109       1.628253  226.0448 57.97388 165.9959 21.34703 60.04887       61.77917 
1 1 1 8   30 4  o 394.9016 10.89186 36.76024       2.023299  28.69798       7.281740  37.43477       2.106239  339.6400 46.82190 398.4799 11.23652 -58.83981      48.15133 
1 1 1 8   30 5  o 258.8209 35.45140 16.40758       4.202762  9.563021       6.190605  22.25922       5.723989  194.4654 60.88548 300.1538 41.66378 -105.6884      73.77610 
1 1 1 8   30 6  o 258.5991 36.21334 16.41628       4.284375  19.56302       6.440171  13.91796       5.738410  277.6041 51.20411 232.5858 53.55600 45.01822       74.09525 
1 1 1 8   30 7  o 533.5367 23.55163 67.69727       5.910913  61.83115       8.334894  73.63258       8.383910  505.3157 35.28603 552.8504 32.37938 -47.53467      47.89079 
1 1 1 8   30 8  o 573.5473 23.60264 78.26566       6.367943  81.03449       9.087617  75.59454       8.925827  579.3633 33.48772 559.2540 34.09172 20.10938       47.78778 
1 1 1 8   30 9  o 258.3142 37.08624 16.45666       4.377147  21.03746       6.550682  12.76159       5.883388  287.7970 50.21365 221.3274 56.35895 66.46957       75.48339 
1 1 1 8   30 10 o 172.7355 48.25115 7.613369       4.071602  3.463139       5.700673  11.93520       5.817330  144.4628 56.95927 213.7198 56.86696 -69.25696      80.48732 
1 1 1 8   30 11 o 113.5659 45.53433 1.740138       3.702616  6.950060       5.392142  -2.908145      5.093215  168.9103 57.10299 102.8269 47.02175 66.08338       73.97160 
1 1 1 8   30 12 o 194.2998 58.83355 9.839478       5.839544  0.000000       0.000000  9.839478       5.839544  ?        ?        194.2998 58.83355 0.000000       58.83355 
1 1 1 8   30 13 o 187.9270 45.09702 9.088934       3.935790  11.18906       5.655436  7.116529       5.480768  205.8008 56.63570 169.7632 57.56948 36.03760       80.75796 
1 1 1 8   30 14 o 108.9398 44.42229 1.386337       3.591458  5.978003       5.047149  -3.323425      5.111643  158.0144 55.18108 100.6718 46.42677 57.34267       72.11377 
1 1 1 8   30 15 o 277.2661 32.66879 18.91745       4.179099  15.28240       5.772153  22.92212       6.058517  240.7551 52.45117 300.4883 44.18070 -59.73323      68.57886 
1 1 1 8   30 16 o 242.5047 38.53276 14.83201       4.248580  19.71463       5.986751  9.878122       6.030285  275.8079 47.88072 191.8820 60.09442 83.92584       76.83685 
1 1 1 8   32 0  o 580.2845 17.80430 79.75560       4.859989  81.89656       7.638833  78.29965       6.299349  585.1108 27.75361 573.5255 23.34929 11.58533       36.26917 
1 1 1 8   32 1  o 429.2054 20.51221 43.73125       4.141397  37.87159       6.077484  48.81094       5.658569  395.2681 32.98748 451.2323 26.77843 -55.96423      42.48833 
1 1 1 8   32 2  o 269.2403 29.78136 17.58340       3.708685  13.29370       5.659657  20.81153       4.909679  226.3522 53.92303 291.0691 36.67214 -64.71692      65.21149 
1 1 1 8   32 3  o 283.4059 29.45730 19.45218       3.869713  14.59869       5.959482  22.99049       5.088375  237.0823 54.56813 306.3196 35.99958 -69.23729      65.37317 
1 1 1 8   32 4  o 229.1750 35.98430 12.99319       3.751468  14.08145       5.746455  12.18490       4.952414  232.9998 53.55179 217.6762 49.48618 15.32367       72.91553 
1 1 1 8   32 5  o 269.8560 44.35289 18.30856       5.434536  0.000000       0.000000  18.30856       5.434536  ?        ?        269.8560 44.35289 0.000000       44.35289 
1 1 1 8   32 6  o 461.2834 22.89542 50.67183       4.968048  47.02735       6.959393  54.45898       7.094311  439.9759 33.88665 474.4464 31.97374 -34.47049      46.58997 
1 1 1 8   32 7  o 306.2007 28.75877 22.68545       4.093804  19.00119       5.700839  26.60821       5.882460  274.1007 45.83221 328.2847 38.84565 -54.18399      60.07975 
1 1 1 8   32 8  o 429.7266 34.09960 44.97622       6.836411  44.97622       6.836411  0.000000       0.000000  429.7266 34.09960 ?        ?        0.000000       34.09960 
1 1 1 8   32 9  o 139.2748 45.55289 4.704430       3.437346  6.251487       5.148396  3.460167       4.617160  161.3495 55.76637 135.2570 51.83382 26.09254       76.13563 
1 1 1 8   32 10 o 325.1944 28.14007 25.60039       4.262223  22.20868       6.181580  28.67420       5.884755  295.8190 45.91077 340.7876 37.31936 -44.96857      59.16530 
1 1 1 8   32 11 o 227.2975 50.47194 13.50178       5.255957  0.000000       0.000000  13.50178       5.255957  ?        ?        227.2975 50.47194 0.000000       50.47194 
1 1 1 8   32 12 o 118.8090 45.58570 2.616098       3.573831  -7.161119      5.022268  12.64566       5.086667  85.80099 41.40261 219.4342 50.34748 -133.6332      65.18470 
1 1 1 9   1  0  o 550.6613 13.30571 71.36972       3.446609  71.36972       3.446609  0.000000       0.000000  550.6613 13.30571 ?        ?        0.000000       13.30571 
1 1 1 9   1  1  f 1407.887 16.75480 466.7196       11.09626  472.3243       13.76120  456.3020       18.76119  1415.907 20.66104 1390.601 28.68063 25.30676       35.34766 
1 1 1 9   1  2  o 343.2434 16.30320 27.73944       2.632354  30.46968       3.932631  25.52319       3.543175  358.7787 23.43034 328.2675 23.09246 30.51129       32.89746 
1 1 1 9   1  3  o 926.5269 13.59596 202.0560       5.925666  207.5208       10.57049  199.5517       7.155770  938.2540 23.94999 920.6071 16.52390 17.64691       29.09710 
1 1 1 9   1  4  o 481.3938 11.32491 54.53356       2.564510  53.67002       3.628968  55.39501       3.624567  477.4401 16.15827 485.0605 15.88513 -7.620422      22.65893 
1 1 1 9   1  5  o 916.9125 12.13388 197.8616       5.233556  198.5128       7.414741  197.2151       7.388062  918.1384 17.16795 915.1328 17.16236 3.005554       24.27520 
1 1 1 9   1  6  o 340.5502 14.14357 27.30182       2.265738  27.36885       3.204075  27.23477       3.204400  340.2202 20.10977 339.3786 20.16270 0.8415833      28.47696 
1 1 1 9   1  7  o 466.1474 12.78854 51.14956       2.804228  50.48349       3.953088  51.82426       3.978590  462.9100 18.15393 469.0219 18.03295 -6.111908      25.58813 
1 1 1 9   1  8  o 282.9954 20.06797 18.97725       2.654156  17.69917       4.449293  19.68331       3.306999  270.9637 35.78214 287.7036 24.67415 -16.73996      43.46465 
1 1 1 9   1  9  o 603.2171 14.93053 85.73526       4.236608  86.07314       5.138304  85.01785       7.487284  604.1541 18.08018 599.5369 26.54845 4.617188       32.12029 
1 1 1 9   1  10 o 493.3216 20.10353 57.45630       4.665215  0.000000       0.000000  57.45630       4.665215  ?        ?        493.3216 20.10353 0.000000       20.10353 
1 1 1 9   1  11 o 658.5903 13.84348 102.1856       4.288742  103.2729       6.066732  101.0995       6.063664  661.5463 19.49509 654.5260 19.69423 7.020264       27.71139 
1 1 1 9   1  12 o 1103.239 17.19622 286.8489       8.924253  289.2476       11.08558  282.4316       15.04346  1107.250 21.28353 1092.629 29.26886 14.62109       36.18915 
1 1 1 9   1  13 o 1089.194 15.13211 279.3502       7.753076  277.5429       10.95774  281.1620       10.97128  1085.034 21.46883 1092.099 21.35630 -7.064697      30.28204 
1 1 1 9   1  14 o 2869.669 27.83982 1943.311       37.58093  1963.640       53.78419  1923.916       52.53283  2879.719 39.70407 2850.695 39.17515 29.02417       55.77729 
1 1 1 9   1  15 o 798.0070 15.36611 149.9246       5.768197  146.8016       8.070238  153.1864       8.247577  789.2698 21.73660 806.2504 21.74639 -16.98059      30.74712 
1 1 1 9   1  16 o 1515.589 20.76412 541.2605       14.80350  540.9291       18.17208  541.9144       25.52401  1514.412 25.50889 1513.734 35.84512 0.6776123      43.99518 
1 1 1 9   1  17 o 517.1853 18.26490 63.01165       4.443577  61.79990       6.213247  64.28034       6.357572  511.1256 25.92662 521.9482 25.89373 -10.82254      36.64252 
1 1 1 9   1  18 o 779.5491 19.03592 143.2084       6.980501  140.2681       8.530512  149.1677       12.14435  771.1118 23.51735 794.1304 32.50971 -23.01862      40.12415 
1 1 1 9   1  19 o 470.7336 23.14659 52.28963       5.125443  57.81808       8.911216  49.55658       6.265550  492.0479 38.81514 456.8911 29.30717 35.15680       48.63667 
1 1 1 9   1  20 o 1979.986 21.71756 925.1995       20.22751  950.2836       29.38191  902.6003       27.88853  2003.054 31.18301 1952.505 30.36436 50.54968       43.52441 
1 1 1 9   1  21 o 1078.615 17.32108 274.3483       8.788415  272.2712       12.41716  276.4332       12.44027  1073.106 24.59859 1081.309 24.45741 -8.203125      34.68797 
1 1 1 9   1  22 o 170.3352 51.87387 7.075177       4.530197  3.026160       7.252225  9.666113       5.801293  157.1880 63.47845 197.3100 58.39338 -40.12201      86.25138 
1 1 1 9   1  23 o 634.3724 21.88216 95.27856       6.529859  93.12749       8.024561  99.49466       11.23441  626.0374 27.24907 643.2238 37.28948 -17.18640      46.18460 
1 1 1 9   1  24 o 437.2535 27.19574 45.71479       5.566046  58.62069       9.821483  39.60862       6.755653  489.6940 43.07486 404.3840 35.88727 85.31003       56.06549 
1 1 1 9   1  25 o 255.1515 40.32415 16.18757       4.679035  10.62595       5.601833  29.02200       8.509774  202.4834 56.60923 336.6810 55.67772 -134.1976      79.40160 
1 1 1 9   1  26 o 127.4903 47.43242 3.289124       3.801762  -2.343306      5.376068  8.923381       5.376939  108.3350 49.05719 185.5964 56.51258 -77.26147      74.83501 
1 1 1 9   1  27 o 152.6757 47.44318 5.917289       3.766800  -2.039838      5.349456  13.74254       5.304943  108.6488 49.09123 228.7512 50.63811 -120.1025      70.52777 
1 1 1 9   1  28 o 123.2758 48.94571 2.540888       4.236792  -6.284186      7.131427  7.354888       5.267086  110.6692 52.25919 168.5422 56.43958 -57.87303      76.91846 
1 1 1 9   1  29 o 132.1461 49.80212 3.755814       4.217584  7.872337       5.352724  -2.984542      6.849376  171.8587 56.87576 118.1382 54.20878 53.72050       78.57127 
1 1 1 9   1  30 o 469.9485 22.35425 53.16825       4.941738  51.88749       7.075814  54.38781       6.904674  456.9928 33.14057 469.1373 31.47003 -12.14450      45.70186 
1 1 1 9   1  31 o 187.3861 44.80796 9.456133       3.896311  6.482289       5.344808  12.82888       5.691998  157.4140 56.61058 212.3616 56.13008 -54.94762      79.72041 
1 1 1 9   1  32 o 84.77140 39.10835 -2.085016      3.632071  2.321302       5.138905  -6.483178      5.134147  125.0152 52.25909 86.63065 41.81727 38.38454       66.93053 
1 1 1 9   1  33 o 110.7896 43.12884 2.554409       3.233732  0.3089147      4.493588  4.966367       4.657171  106.1764 46.65316 138.9880 52.34243 -32.81160      70.11595 
1 1 1 9   1  34 o 95.64369 43.60797 -1.130711      4.339937  0.1818966      6.239964  -2.360583      6.040108  117.5524 53.07573 106.1783 49.47923 11.37402       72.56189 
1 1 1 9   1  35 o 84.54960 39.96258 -2.961380      4.188046  -5.071344      5.889225  -0.8026160     5.956939  94.02686 45.24004 108.7020 50.12609 -14.67513      67.52248 
1 1 1 9   3  0  o 863.1049 12.64597 175.3242       5.134347  171.6706       8.782860  177.2211       6.328302  853.5255 21.87511 867.6227 15.50554 -14.09729      26.81310 
1 1 1 9   3  1  o 644.8273 11.36650 97.84705       3.447779  101.5496       4.338168  91.49822       5.680678  656.8262 14.04063 623.2535 19.37609 33.57269       23.92848 
1 1 1 9   3  2  o 999.4435 11.83379 235.0697       5.563544  233.5148       7.817914  236.6652       7.919141  995.8591 16.68875 1002.548 16.79205 -6.688477      23.67461 
1 1 1 9   3  3  o 1815.714 20.83232 776.7664       17.79322  788.9418       31.59053  771.1091       21.53387  1826.531 36.76719 1808.340 25.31469 18.19128       44.63922 
1 1 1 9   3  4  o 921.1434 13.90187 199.7288       6.023787  198.0975       10.52644  200.5232       7.345392  916.6113 24.41333 922.7958 16.92155 -6.184509      29.70436 
1 1 1 9   3  5  o 770.1091 11.62887 139.5728       4.212687  134.3241       5.816419  145.3640       6.109671  755.2712 16.37131 785.6864 16.53101 -30.41522      23.26573 
1 1 1 9   3  6  o 801.1765 12.02516 151.0767       4.531985  152.5767       6.463235  149.6259       6.356487  804.8600 17.07105 797.0469 16.95368 7.813110       24.05926 
1 1 1 9   3  7  o 724.8631 13.71945 123.7111       4.678018  125.5351       7.945995  122.7436       5.787245  729.4772 23.15620 721.8165 17.04417 7.660767       28.75262 
1 1 1 9   3  8  o 1397.619 15.57394 460.2157       10.23898  456.6762       14.39480  463.8403       14.56695  1391.050 21.99852 1401.899 22.08935 -10.84863      31.17490 
1 1 1 9   3  9  o 170.3224 29.16772 7.063812       2.252868  7.020445       3.253614  7.103754       3.122501  168.2182 41.39800 169.2782 39.87060 -1.060013      57.47573 
1 1 1 9   3  10 o 734.7769 13.40541 127.1961       4.633455  121.9087       6.435390  132.8873       6.676657  718.7357 19.03428 750.4168 18.91417 -31.68115      26.83374 
1 1 1 9   3  11 o 847.2061 15.84831 169.1557       6.315989  168.8425       7.703691  169.7979       11.03121  846.0055 19.35781 847.0776 27.68410 -1.072083      33.78069 
1 1 1 9   3  12 o 1175.224 17.90154 325.4688       9.896469  321.3437       16.92186  327.6132       12.20049  1165.563 30.86337 1178.514 22.00762 -12.95190      37.90623 
1 1 1 9   3  13 o 334.7980 23.96425 26.56808       3.749165  24.94650       7.196559  27.17213       4.392296  320.2726 49.35313 338.1500 27.86096 -17.87741      56.67419 
1 1 1 9   3  14 o 1478.403 17.34370 514.7105       12.06157  514.3784       17.11988  515.0378       16.99607  1476.996 24.64065 1477.971 24.44631 -0.9753418     34.71000 
1 1 1 9   3  15 o 203.4036 40.77573 10.14196       3.765635  11.80440       6.557717  9.324117       4.599561  219.2146 61.23552 194.4672 50.00176 24.74736       79.05672 
1 1 1 9   3  16 f 1621.102 18.61880 619.0383       14.19814  656.5392       21.32410  589.1734       19.02963  1668.057 27.17632 1580.451 25.59646 87.60596       37.33271 
1 1 1 9   3  17 o 402.7609 24.45502 38.40385       4.611309  44.59883       5.725661  26.96790       7.779327  433.7086 28.21813 332.7578 51.35123 100.9508       58.59362 
1 1 1 9   3  18 o 492.5381 21.50306 57.20274       4.982064  52.46226       6.093024  66.76576       8.654051  470.4974 27.65156 529.8984 34.91383 -59.40106      44.53745 
1 1 1 9   3  19 o 676.5844 16.93387 107.8613       5.389489  116.7282       7.915222  100.1969       7.358922  703.2149 23.92797 651.5113 24.01170 51.70361       33.89852 
1 1 1 9   3  20 o 359.9839 28.43387 30.84938       4.775716  31.53984       9.042141  30.58226       5.624156  358.2281 55.45050 357.5204 33.84445 0.7076416      64.96310 
1 1 1 9   3  21 o 266.1507 32.45819 17.06053       3.979517  16.23740       5.869816  17.76068       5.413599  255.5872 50.61256 269.0778 44.31287 -13.49062      67.27007 
1 1 1 9   3  22 o 1006.913 17.41914 239.2824       8.250641  245.4900       12.00328  233.7227       11.35964  1018.028 25.06519 993.5383 24.30585 24.48944       34.91473 
1 1 1 9   3  23 o 317.1474 28.74039 24.12553       4.241112  35.14774       6.348146  15.23985       5.699780  381.5031 35.79206 245.8373 50.96137 135.6659       62.27465 
1 1 1 9   3  24 o 149.2110 51.23337 5.109439       4.341977  4.888198       5.234382  5.597504       7.774484  152.6648 55.85643 173.3453 67.04157 -20.68048      87.26118 
1 1 1 9   3  25 o 187.5822 42.76168 8.927343       3.689383  9.684182       5.103809  8.099050       5.339306  193.6982 53.99225 179.2729 56.60556 14.42534       78.22629 
1 1 1 9   3  26 o 139.1325 47.58505 4.552867       3.744846  1.402005       5.308035  7.675340       5.284069  127.0590 53.11267 174.1024 56.45505 -47.04339      77.51212 
1 1 1 9   3  27 o 446.4154 22.30042 47.62557       4.682971  39.87390       6.446524  56.28669       6.814204  402.8401 34.34726 481.2657 30.25357 -78.42554      45.77131 
1 1 1 9   3  28 o 147.0474 47.33748 5.489958       3.720222  3.575462       5.286262  7.368558       5.236469  138.8883 54.82171 168.4811 56.27602 -29.59277      78.56469 
1 1 1 9   3  29 o 124.9206 46.29790 3.401599       3.615198  -0.2251059     5.031258  7.272896       5.198149  112.5774 49.41794 166.3757 56.06727 -53.79831      74.73735 
1 1 1 9   3  30 o 149.0304 50.93465 5.697914       4.290585  5.489562       5.286878  6.099882       7.343397  150.8427 55.97155 163.5343 64.59365 -12.69159      85.47019 
1 1 1 9   3  31 o 285.1069 35.70885 20.67781       4.684040  16.47587       5.615160  30.29132       8.493332  245.2247 50.36330 328.7290 56.99056 -83.50438      76.05515 
1 1 1 9   3  32 o 129.0995 48.45680 3.923881       3.984931  3.180737       6.920392  4.292518       4.874097  140.9606 59.87634 136.6524 53.01814 4.308258       79.97562 
1 1 1 9   3  33 o 239.0480 37.70983 15.09548       4.099847  19.68787       7.127424  12.82454       5.012053  253.1441 60.65008 210.5180 51.12253 42.62610       79.32178 
1 1 1 9   3  34 o 111.6152 44.94626 2.513060       3.624648  -0.9717599     5.970605  4.546987       4.561377  110.6853 50.72370 132.5286 51.32503 -21.84328      72.16060 
1 1 1 9   3  35 o 130.6426 54.81635 4.194412       5.686391  4.194412       5.686391  0.000000       0.000000  130.6426 54.81635 ?        ?        0.000000       54.81635 
1 1 1 9   5  0  o 1299.006 15.98606 397.3037       9.768365  396.9067       12.12446  398.0381       16.49063  1297.983 19.85748 1298.931 26.98870 -0.9482422     33.50686 
1 1 1 9   5  1  f 1193.619 13.13725 335.3383       7.376319  330.8561       14.77381  336.8266       8.513378  1184.308 26.51907 1196.125 15.13059 -11.81665      30.53189 
1 1 1 9   5  2  o 1134.280 12.69467 302.8143       6.773471  295.3026       9.330858  311.1824       9.848346  1119.762 17.71441 1149.431 18.21424 -29.66968      25.40785 
1 1 1 9   5  3  o 540.6561 10.56573 68.78500       2.687138  68.96751       3.753369  68.59310       3.848801  541.2477 14.74198 539.7618 15.15842 1.485840       21.14483 
1 1 1 9   5  4  o 847.7587 11.63355 169.1440       4.639314  174.2979       6.685681  164.3575       6.443007  860.3030 16.52057 835.4188 16.39514 24.88422       23.27508 
1 1 1 9   5  5  f 1181.442 19.81923 328.9467       11.01460  342.4495       16.25343  317.4792       14.97854  1204.139 28.69452 1159.610 27.45922 44.52930       39.71630 
1 1 1 9   5  6  o 985.6310 15.13332 228.7975       7.016456  253.6266       14.07327  220.5842       8.094183  1035.899 28.88073 967.5309 17.78439 68.36786       33.91727 
1 1 1 9   5  7  o 635.6631 12.18656 95.13916       3.643992  95.38025       5.140755  94.89570       5.166105  636.1316 17.17951 634.5035 17.30852 1.628052       24.38689 
1 1 1 9   5  8  f 553.8760 12.63753 72.25506       3.292638  79.32521       4.790303  65.92319       4.533304  579.9672 17.55862 528.6541 18.22947 51.31311       25.31044 
1 1 1 9   5  9  o 462.2079 14.22024 50.34025       3.091816  52.23061       4.488515  48.63346       4.265018  470.3575 20.28641 453.8976 19.97532 16.45990       28.47019 
1 1 1 9   5  10 o 660.7252 18.97752 102.9764       5.898338  102.9764       5.898338  0.000000       0.000000  660.7252 18.97752 ?        ?        0.000000       18.97752 
1 1 1 9   5  11 o 706.0378 13.63052 117.3817       4.526992  117.9623       6.477774  116.8275       6.329083  707.3542 19.46792 703.9739 19.11239 3.380310       27.28156 
1 1 1 9   5  12 o 2068.280 21.14844 1008.293       20.57581  1029.898       29.81149  988.6375       28.43450  2087.959 30.35235 2045.943 29.54493 42.01648       42.35762 
1 1 1 9   5  13 o 1190.705 15.53866 333.7975       8.703364  338.7253       12.52043  329.1899       12.10682  1198.836 22.20189 1181.888 21.77633 16.94849       31.09875 
1 1 1 9   5  14 o 794.5590 21.07422 148.7504       7.876747  0.000000       0.000000  148.7504       7.876747  ?        ?        794.5590 21.07422 0.000000       21.07422 
1 1 1 9   5  15 o 953.2307 15.35711 213.9230       6.886154  226.7519       10.14098  202.9464       9.380410  980.8977 21.97795 928.0214 21.48793 52.87634       30.73697 
1 1 1 9   5  16 o 1065.509 15.79472 267.3275       7.916594  269.3909       11.34627  265.3701       11.05107  1068.985 22.56379 1061.023 22.14167 7.962280       31.61294 
1 1 1 9   5  17 o 2181.701 26.12503 1123.372       26.81151  1148.774       33.75722  1079.964       44.12712  2204.139 32.55805 2132.428 43.99081 71.71118       54.72858 
1 1 1 9   5  18 o 705.8829 19.59068 117.4514       6.505064  115.8272       7.837909  121.0464       11.66118  700.6216 23.78194 714.9348 34.67422 -14.31317      42.04620 
1 1 1 9   5  19 o 349.3048 23.97076 28.94130       3.914891  33.23809       5.679430  25.05139       5.403831  373.2051 32.68032 322.9948 36.18814 50.21030       48.76049 
1 1 1 9   5  20 o 1151.066 17.09641 312.3472       9.257090  340.0435       13.95735  290.5957       12.36908  1199.511 24.73600 1109.089 23.70837 90.42224       34.26305 
1 1 1 9   5  21 o 1477.859 22.22940 516.1491       15.45361  542.2117       29.75167  506.5194       18.08457  1505.534 42.00989 1462.624 26.28490 42.91028       49.55529 
1 1 1 9   5  22 o 456.5099 21.73797 49.29911       4.668083  45.33576       6.681864  53.07773       6.524288  434.9788 32.89904 471.6404 29.55644 -36.66168      44.22590 
1 1 1 9   5  23 o 189.1560 44.18684 8.998589       3.860706  4.778419       5.334829  13.63896       5.594119  153.0551 56.33057 231.6663 52.54191 -78.61115      77.03107 
1 1 1 9   5  24 f 275.4039 36.79031 18.59138       4.647050  14.51453       5.514759  28.57610       8.630412  238.6015 50.69804 334.6576 56.85708 -96.05609      76.17755 
1 1 1 9   5  25 o 367.3383 25.46327 32.36026       4.372816  33.35833       6.209806  31.37855       6.158702  369.4377 36.19786 357.8595 37.12559 11.57819       51.85166 
1 1 1 9   5  26 o 462.1587 21.55674 50.89140       4.686444  53.25428       6.691300  48.61635       6.565748  468.8426 30.50595 447.4954 31.38945 21.34717       43.77111 
1 1 1 9   5  27 o 394.7627 34.46028 38.35946       6.335025  0.000000       0.000000  38.35946       6.335025  ?        ?        394.7627 34.46028 0.000000       34.46028 
1 1 1 9   5  28 o 268.7047 32.28766 17.88339       3.999427  18.60843       5.588654  17.12230       5.725932  267.6315 46.05249 254.6290 49.58785 13.00253       67.67412 
1 1 1 9   5  29 o 189.7325 44.00487 9.486435       3.851259  15.19171       5.401459  3.586803       5.492692  238.2937 49.79162 139.2672 55.59255 99.02654       74.63068 
1 1 1 9   5  30 o 132.8476 51.01704 3.750328       4.478631  7.289992       5.396633  -4.081451      8.027348  165.4907 57.10082 123.3049 57.31998 42.18586       80.90788 
1 1 1 9   5  31 o 397.1187 23.99156 38.39196       4.460711  33.52565       6.141174  43.82691       6.490072  363.0842 36.44822 418.0302 33.28009 -54.94604      49.35623 
1 1 1 9   5  32 o 86.54684 39.92739 -2.101751      3.785782  -6.474436      6.540940  0.1009245      4.642386  100.7080 48.25230 107.5577 47.33593 -6.849747      67.59419 
1 1 1 9   5  33 o 283.3935 32.64339 20.61801       4.272117  21.91439       7.593733  20.01771       5.167426  265.4669 61.94220 272.3989 41.65068 -6.932007      74.64325 
1 1 1 9   5  34 o 97.69337 41.51183 1.062277       3.328408  7.502973       5.731529  -2.214938      4.088430  156.2003 58.21472 87.62827 40.79241 68.57208       71.08428 
1 1 1 9   5  35 o 160.4214 50.55122 8.094235       4.259899  4.931630       5.930449  11.46552       6.122976  135.0238 56.26534 180.0042 60.84987 -44.98045      82.87638 
1 1 1 9   7  0  o 1464.995 14.97985 505.3629       10.32316  553.6977       16.30054  472.9955       13.33906  1532.346 22.61393 1416.674 20.01640 115.6713       30.20010 
1 1 1 9   7  1  o 866.8021 11.04829 176.8279       4.504891  174.0488       9.439842  177.6475       5.126282  859.0314 23.36073 868.7299 12.54436 -9.698425      26.51574 
1 1 1 9   7  2  o 895.9319 13.31998 188.9734       5.613682  200.2676       10.53481  184.4947       6.634010  921.3004 24.30840 885.0707 15.93415 36.22968       29.06536 
1 1 1 9   7  3  o 1048.263 12.35642 258.6769       6.093013  266.5118       8.812001  251.4997       8.434063  1063.542 17.61370 1033.181 17.35366 30.36108       24.72634 
1 1 1 9   7  4  o 559.0526 10.91200 73.56597       2.869632  73.91129       4.023189  73.20834       4.094290  560.1580 15.26830 557.4688 15.61309 2.689270       21.83780 
1 1 1 9   7  5  o 531.8830 11.44173 66.60200       2.862709  70.14520       4.128203  63.31986       3.973207  545.5929 16.08507 518.3570 16.29457 27.23590       22.89635 
1 1 1 9   7  6  o 717.6583 14.18384 121.3410       4.788293  129.7860       9.606416  118.5493       5.523339  740.4776 27.57911 709.1376 16.55777 31.33997       32.16779 
1 1 1 9   7  7  o 450.2607 12.92054 47.75436       2.736616  48.57150       3.870524  46.93752       3.869794  453.7699 18.13280 446.0495 18.44316 7.720398       25.86404 
1 1 1 9   7  8  o 841.4057 12.83060 166.7449       5.078340  164.4362       7.147530  169.0985       7.216685  834.9752 18.19756 846.7400 18.11834 -11.76483      25.67928 
1 1 1 9   7  9  o 772.4362 12.86481 140.5009       4.674502  143.5911       6.719996  137.6038       6.506653  780.4114 18.30527 763.9876 18.10515 16.42377       25.74644 
1 1 1 9   7  10 o 439.2931 14.84981 45.44484       3.068630  49.16939       4.456638  42.08709       4.231506  456.6721 20.74596 421.9345 21.38961 34.73761       29.79782 
1 1 1 9   7  11 o 1384.536 18.88815 451.5898       12.30164  462.8756       15.23424  430.4400       20.85488  1401.171 23.11320 1349.537 32.85137 51.63403       40.16756 
1 1 1 9   7  12 o 1146.116 15.11607 309.2390       8.149610  314.9555       11.73230  303.9088       11.32886  1156.113 21.57315 1135.693 21.20587 20.41992       30.25045 
1 1 1 9   7  13 o 1214.546 15.94816 347.2908       9.111585  385.7497       14.12104  319.8564       11.92659  1279.299 23.46524 1165.095 21.76134 114.2042       32.00271 
1 1 1 9   7  14 o 978.3864 15.20737 225.3511       6.998967  220.7583       9.725482  230.2850       10.08011  967.9323 21.35979 988.5701 21.67647 -20.63782      30.43205 
1 1 1 9   7  15 f 220.1380 40.18972 11.83095       4.008427  17.74376       7.918150  9.793530       4.648007  267.0757 63.88495 199.1269 49.76102 67.94879       80.97806 
1 1 1 9   7  16 o 1797.918 19.84165 761.7247       16.78096  785.5316       24.48409  740.6342       23.04497  1823.962 28.53637 1771.280 27.65794 52.68274       39.74023 
1 1 1 9   7  17 o 931.7809 15.91348 204.4840       6.975065  204.8212       9.982210  204.1624       9.750341  931.8834 22.77172 930.4393 22.27730 1.444153       31.85638 
1 1 1 9   7  18 o 1549.595 18.56091 565.9752       13.52965  555.6555       18.85299  576.9335       19.42758  1533.807 26.13005 1562.823 26.42649 -29.01672      37.16368 
1 1 1 9   7  19 o 1089.242 16.81306 279.6234       8.614710  300.0203       12.83930  262.9221       11.61811  1127.037 24.21775 1055.205 23.40611 71.83228       33.68005 
1 1 1 9   7  20 o 306.8951 29.93766 22.53242       4.266886  26.64982       7.346852  20.43673       5.241473  329.8663 48.82175 290.2691 39.40555 39.59714       62.74043 
1 1 1 9   7  21 o 444.6175 21.74674 46.73455       4.548309  45.14067       6.594844  48.18041       6.281174  434.4301 32.50682 449.4637 29.87844 -15.03357      44.15218 
1 1 1 9   7  22 o 946.4036 17.55273 211.5467       7.814308  215.5945       11.24954  207.7725       10.86280  953.3460 25.08505 936.0218 24.67099 17.32422       35.18405 
1 1 1 9   7  23 o 206.0260 46.47147 10.72900       4.396515  12.68638       5.583679  7.535673       7.131881  222.6401 53.89326 182.8459 65.43169 39.79422       84.76904 
1 1 1 9   7  24 o 770.2036 18.24200 140.4772       6.609177  141.1170       9.360178  139.8411       9.333455  769.3242 25.86458 765.8208 25.90872 3.503357       36.60926 
1 1 1 9   7  25 o 261.8427 67.92661 18.60880       8.438038  0.000000       0.000000  18.60880       8.438038  ?        ?        261.8427 67.92661 0.000000       67.92661 
1 1 1 9   7  26 o 122.1086 47.79886 2.537014       3.988773  -10.66885      6.257868  11.57374       5.176647  90.88898 44.39847 209.4656 52.60873 -118.5766      68.83969 
1 1 1 9   7  27 o 266.4297 31.34188 17.47743       3.852957  18.25693       5.313315  16.61296       5.595431  267.0075 43.82402 251.9991 48.96682 15.00836       65.71373 
1 1 1 9   7  28 o 263.6642 32.87521 17.27304       3.988869  16.03690       5.678200  18.47739       5.604743  245.3228 50.87344 266.2372 46.44153 -20.91444      68.88340 
1 1 1 9   7  29 o 382.6548 25.10597 35.52608       4.494059  32.08344       6.076241  39.68352       6.677314  357.4489 36.65551 398.2604 36.03248 -40.81152      51.40005 
1 1 1 9   7  30 o 125.2250 47.49463 3.353841       3.851293  2.021954       5.117651  5.093172       5.848281  125.2131 52.23001 150.0421 58.11362 -24.82897      78.13557 
1 1 1 9   7  31 o 258.3902 39.20787 17.34776       4.615965  21.03951       5.544505  9.010108       8.332365  282.3498 43.11208 179.7486 69.43676 102.6012       81.73197 
1 1 1 9   7  32 o 326.5728 28.89431 26.64739       4.392946  34.69085       8.037990  23.22169       5.245659  354.3911 49.57333 298.2988 38.26566 56.09235       62.62408 
1 1 1 9   7  33 o 181.2094 45.72878 9.305906       3.898059  15.72533       6.805239  6.171155       4.755508  221.3724 62.57240 147.9937 53.37777 73.37877       82.24654 
1 1 1 9   7  34 o 101.3351 44.21460 0.7317322      3.973854  -1.306183      5.691624  2.670036       5.550780  106.2740 49.00317 123.7953 53.12866 -17.52130      72.27700 
1 1 1 9   7  35 f 126.2741 47.88055 4.500878       3.913512  5.306183       5.781540  3.819858       5.316717  135.8904 55.99506 125.6999 52.88701 10.19053       77.02261 
1 1 1 9   9  0  f 750.5494 10.17882 132.6064       3.593734  132.8324       5.360359  132.4218       4.843472  750.8019 15.17747 749.7675 13.73285 1.034363       20.46819 
1 1 1 9   9  1  o 431.0058 10.44752 43.73152       2.118193  44.99799       3.596245  43.05876       2.621097  436.8492 17.50042 427.5713 13.03183 9.277924       21.81956 
1 1 1 9   9  2  o 981.4957 11.91202 226.8475       5.499751  220.1843       11.45589  228.8431       6.269492  964.9699 25.23746 985.6340 13.52220 -20.66406      28.63179 
1 1 1 9   9  3  o 873.8092 11.75963 179.7996       4.833698  191.3496       10.71963  176.8518       5.415519  899.4946 25.33447 866.4741 13.28664 33.02057       28.60717 
1 1 1 9   9  4  o 645.7571 10.96751 98.18172       3.331553  99.79147       4.691686  96.54445       4.731622  650.7062 15.32762 639.9988 15.71671 10.70734       21.95338 
1 1 1 9   9  5  o 610.7910 12.66696 87.86420       3.639439  85.49347       5.444348  89.77945       4.893495  601.9644 19.22675 617.0906 16.85780 -15.12616      25.57055 
1 1 1 9   9  6  o 1025.243 12.98309 247.5457       6.261442  240.5759       8.550860  255.6036       9.194122  1010.105 17.99592 1041.061 18.77435 -30.95624      26.00633 
1 1 1 9   9  7  o 1359.544 17.90353 435.6682       11.44988  430.1427       20.42257  438.2013       13.82746  1347.672 32.21491 1362.832 21.56904 -15.16016      38.76885 
1 1 1 9   9  8  o 626.5011 12.68547 92.39791       3.738504  99.33485       5.515831  86.50336       5.084550  649.3027 18.05903 605.9296 17.83861 43.37311       25.38395 
1 1 1 9   9  9  o 1777.721 18.66806 744.4667       15.61104  735.7557       21.65056  753.9001       22.53042  1765.981 26.06237 1787.469 26.79548 -21.48767      37.37973 
1 1 1 9   9  10 o 703.5588 13.31476 116.5049       4.406595  113.2840       6.079484  120.0703       6.396312  693.5326 18.63505 713.9818 19.04466 -20.44922      26.64515 
1 1 1 9   9  11 o 1529.919 17.11269 551.1269       12.31561  556.8779       17.53462  545.5278       17.30153  1537.034 24.25179 1521.300 24.17689 15.73401       34.24429 
1 1 1 9   9  12 o 479.2482 19.01589 54.09341       4.286929  55.80350       5.072950  49.82164       8.017792  486.6476 22.16036 457.5254 37.58599 29.12216       43.63242 
1 1 1 9   9  13 o 765.1617 14.65375 137.8197       5.274378  132.6652       7.415506  143.0973       7.503465  750.3837 21.00816 779.3629 20.46694 -28.97919      29.32982 
1 1 1 9   9  14 o 392.8487 19.23406 36.35580       3.554394  37.28260       5.098517  35.47945       4.957780  396.5562 27.50184 386.8086 27.42499 9.747589       38.83917 
1 1 1 9   9  15 o 710.8403 15.51175 118.9796       5.186833  123.6216       7.467732  114.6529       7.209652  724.1680 21.92200 697.4006 21.97671 26.76746       31.04110 
1 1 1 9   9  16 o 532.2574 19.18881 66.76030       4.804399  67.29564       6.012271  65.81451       7.991351  534.1024 23.93011 526.5554 32.42075 7.546936       40.29585 
1 1 1 9   9  17 o 919.3787 15.89345 199.1038       6.873565  217.6324       10.22541  183.8297       9.284011  960.4667 22.63233 882.7634 22.35744 77.70325       31.81316 
1 1 1 9   9  18 o 276.3195 28.27370 18.24260       3.623291  13.10479       5.148711  23.28336       5.099853  229.9108 49.09957 311.3256 35.45605 -81.41484      60.56319 
1 1 1 9   9  19 o 566.1962 25.23913 75.79607       6.722189  78.77528       8.919305  71.87872       10.22766  575.2097 33.10337 547.8224 39.96442 27.38727       51.89401 
1 1 1 9   9  20 o 989.6506 16.92150 231.0262       7.877532  230.4956       11.23806  231.5387       11.04546  987.0214 24.20446 989.3647 23.73330 -2.343323      33.89875 
1 1 1 9   9  21 o 308.2512 27.86717 22.74529       3.997102  22.14216       5.864667  23.26850       5.462273  300.6240 42.66904 309.4565 38.34481 -8.832550      57.36699 
1 1 1 9   9  22 o 462.2333 29.93785 51.15465       6.474575  61.32581       10.80214  45.45185       8.088512  500.4079 46.41827 432.4855 40.21915 67.92239       61.41853 
1 1 1 9   9  23 o 270.1840 31.24132 17.70325       3.897391  18.53196       5.625391  16.93828       5.404716  272.1859 45.54493 259.8417 45.89588 12.34424       64.65889 
1 1 1 9   9  24 o 587.8560 19.02038 81.94640       5.259682  79.40996       7.463675  84.44866       7.413208  576.1219 27.54032 594.4883 26.50901 -18.36646      38.22561 
1 1 1 9   9  25 o 212.9487 37.87022 11.37220       3.654503  14.51044       5.390016  8.702096       4.971779  236.6427 49.98725 183.0336 54.02704 53.60909       73.60466 
1 1 1 9   9  26 o 231.6292 36.33268 13.42195       3.828533  14.63150       5.522908  12.30303       5.311976  235.8761 51.24131 215.3672 52.83253 20.50897       73.59991 
1 1 1 9   9  27 o 109.4060 44.29808 1.611574       3.541726  -0.2343466E-03 5.071320  3.146227       4.948453  115.0902 50.08812 133.6866 52.95452 -18.59631      72.89034 
1 1 1 9   9  28 o 117.0259 47.51781 1.947249       4.087709  5.055864       5.101313  -3.629608      6.832714  148.2253 54.98443 116.0374 53.57018 32.18798       76.76621 
1 1 1 9   9  29 o 375.9716 25.15425 34.32928       4.423059  32.19965       6.192626  36.54714       6.319608  357.3880 37.38889 382.1253 35.56562 -24.73737      51.60273 
1 1 1 9   9  30 o 298.2694 29.20928 22.01617       4.045658  16.99346       5.722749  27.03424       5.720100  249.8231 50.43490 325.4537 38.08340 -75.63063      63.19830 
1 1 1 9   9  31 o 101.1576 43.58917 0.4670328      3.764974  0.3587991      6.356484  0.5255241      4.672841  124.4063 55.03862 110.8343 48.15764 13.57199       73.13281 
1 1 1 9   9  32 o 111.8945 45.00839 2.277353       3.630261  1.977408       6.098382  2.441979       4.517968  128.2390 55.36668 119.9651 49.47394 8.273872       74.25053 
1 1 1 9   9  34 o 90.34984 43.04013 -3.941736      5.046483  0.000000       0.000000  -3.941736      5.046483  ?        ?        90.34984 43.04013 0.000000       43.04013 
1 1 1 9   11 0  o 292.7706 11.05546 20.17755       1.522557  20.77951       2.514347  19.82901       1.913219  296.3393 18.12422 290.1551 14.01733 6.184174       22.91228 
1 1 1 9   11 1  o 215.1369 13.27841 10.94067       1.337218  8.760590       2.961808  11.49883       1.498657  189.3346 34.52724 220.4718 14.53189 -31.13715      37.46073 
1 1 1 9   11 2  o 742.1932 12.45037 129.6936       4.346790  130.4102       8.713519  129.4561       5.015421  743.0968 24.92751 741.3866 14.38114 1.710205       28.77843 
1 1 1 9   11 3  o 600.0599 12.99706 84.77740       3.668671  90.75506       7.447184  82.86189       4.215693  619.9335 25.53746 593.1337 15.10940 26.79980       29.67247 
1 1 1 9   11 4  o 848.0633 13.43943 169.3276       5.361403  0.000000       0.000000  169.3276       5.361403  ?        ?        848.0633 13.43943 0.000000       13.43943 
1 1 1 9   11 5  o 1245.206 14.00540 365.0379       8.203631  370.5925       11.67309  359.6170       11.53158  1254.046 19.78805 1235.329 19.84435 18.71619       28.02437 
1 1 1 9   11 6  o 1417.097 15.41296 472.8086       10.27437  475.7224       14.57047  469.9268       14.49017  1420.726 21.80187 1412.044 21.81504 8.682373       30.84181 
1 1 1 9   11 7  o 864.8972 12.40515 176.0479       5.047029  174.4165       7.026108  177.7870       7.254526  860.6315 17.35514 868.8838 17.74917 -8.252258      24.82406 
1 1 1 9   11 8  o 1235.085 20.93567 359.3620       12.16334  345.4221       17.79668  371.5815       16.66241  1209.696 31.27473 1255.083 28.22254 -45.38757      42.12625 
1 1 1 9   11 9  o 1401.460 15.84167 462.3669       10.44361  457.7297       14.55530  467.2874       14.99344  1393.818 22.19964 1408.246 22.63360 -14.42822      31.70337 
1 1 1 9   11 10 o 474.7226 14.53103 53.04501       3.244933  54.54796       4.511626  51.43432       4.670556  481.2420 19.92967 467.2605 21.24908 13.98157       29.13272 
1 1 1 9   11 11 f 418.3981 16.18432 41.21351       3.185323  40.86031       4.422759  41.59417       4.591429  415.7903 22.69839 419.4577 23.36239 -3.667328      32.57327 
1 1 1 9   11 12 o 898.9495 15.81507 190.2569       6.687683  185.8502       10.47984  193.2843       8.686272  887.8108 25.09370 905.7766 20.38651 -17.96582      32.33116 
1 1 1 9   11 13 f 961.6538 20.63865 217.9066       9.336182  217.9066       9.336182  0.000000       0.000000  961.6538 20.63865 ?        ?        0.000000       20.63865 
1 1 1 9   11 14 o 394.9595 18.83388 36.75101       3.499143  38.53387       4.857111  34.82731       5.045323  403.3227 25.73518 383.0613 28.19782 20.26141       38.17612 
1 1 1 9   11 15 o 571.4295 18.35225 76.93616       4.933115  73.37811       6.237731  82.87753       8.060527  557.7263 23.77586 592.3090 28.92982 -34.58264      37.44631 
1 1 1 9   11 16 o 987.7134 18.59879 229.9282       8.641417  244.9762       16.61019  224.3439       10.11857  1016.936 34.72257 975.2391 22.05661 41.69659       41.13577 
1 1 1 9   11 17 o 1575.306 18.43046 585.0319       13.65747  599.3851       19.74456  571.8641       18.91153  1592.581 26.35583 1555.732 25.84179 36.84900       36.91108 
1 1 1 9   11 18 o 337.2186 23.57451 26.99690       3.716058  24.21452       5.206464  29.88618       5.305536  317.3218 35.48743 353.5352 32.25792 -36.21338      47.95760 
1 1 1 9   11 19 o 683.0324 17.04341 110.0467       5.476045  105.2912       7.724669  114.8508       7.764074  667.0668 24.61735 696.8463 23.68554 -29.77948      34.16165 
1 1 1 9   11 20 o 448.8095 25.52798 47.90342       5.367218  52.21645       6.472247  38.40666       9.603987  467.7879 29.56493 394.1969 53.14749 73.59103       60.81727 
1 1 1 9   11 21 o 208.7223 37.89827 10.76914       3.583933  7.373643       5.142336  13.97625       4.997653  174.1164 55.61299 236.1809 46.63831 -62.06454      72.58055 
1 1 1 9   11 22 o 237.5615 33.68227 13.79290       3.658562  14.18845       5.206267  13.40700       5.142303  236.8085 48.37178 229.8684 49.05111 6.940109       68.89006 
1 1 1 9   11 23 o 130.7706 49.12805 3.309889       4.097887  1.469382       8.052099  3.953201       4.760485  152.1203 64.60112 141.2429 52.97287 10.87741       83.54298 
1 1 1 9   11 24 o 443.4241 21.06370 46.76667       4.393628  47.23496       6.451960  46.36172       5.999715  441.6776 31.25581 438.3285 29.26613 3.349091       42.81860 
1 1 1 9   11 25 o 224.9382 36.79459 12.65809       3.758644  3.074195       5.371994  21.84934       5.260801  137.7485 54.98085 296.1163 38.69291 -158.3678      67.23120 
1 1 1 9   11 26 o 192.6626 47.70765 9.743055       4.300917  9.733258       5.288562  9.762189       7.390960  190.8893 55.54486 192.6248 66.80326 -1.735443      86.87869 
1 1 1 9   11 27 o 70.31328 34.40536 -6.855892      3.805501  -4.372167      4.666087  -11.78954      6.576352  90.25065 42.51217 90.95262 44.65329 -0.7019730     61.65388 
1 1 1 9   11 28 o 179.8332 52.13757 8.712877       4.667222  22.36326       9.115870  3.863488       5.433370  276.6563 69.99325 141.0948 55.61530 135.5615       89.39864 
1 1 1 9   11 29 f 156.4495 51.38013 6.445555       4.371368  3.956600       8.572911  7.320065       5.081622  158.3282 66.91462 165.5471 55.43701 -7.218857      86.89550 
1 1 1 9   11 30 o 136.3625 48.69701 4.596858       3.948386  -6.459572      6.873464  10.04208       4.823650  105.1898 50.14282 189.5675 52.36159 -84.37769      72.49854 
1 1 1 9   11 31 o 272.9514 33.06126 18.94277       4.158382  23.35018       7.285993  16.81352       5.064198  285.0268 56.33883 249.4970 44.79581 35.52983       71.97728 
1 1 1 9   11 32 o 137.5411 52.34329 4.811293       4.687831  0.5288348      6.253951  10.30321       7.082229  121.4397 54.11161 180.2707 65.12132 -58.83105      84.66908 
1 1 1 9   11 33 o 130.7647 47.15966 4.644275       3.711964  4.206302       5.340882  5.053508       5.162672  132.9658 54.19008 138.0665 54.27882 -5.100708      76.69913 
1 1 1 9   11 34 o 105.7076 44.01299 2.011313       3.624600  6.085018       5.604637  -0.9173604     4.752128  142.2173 56.34909 98.53767 45.19214 43.67964       72.23260 
1 1 1 9   13 0  o 1180.987 15.15444 328.3268       8.418878  329.1051       10.23096  326.6944       14.81644  1182.143 18.39828 1176.967 26.76151 5.176514       32.47576 
1 1 1 9   13 1  o 1028.975 12.15961 249.1655       5.885641  269.6082       9.217203  235.0915       7.647853  1069.981 18.31276 999.2750 16.26991 70.70612       24.49627 
1 1 1 9   13 2  f 1013.621 14.12633 241.8273       6.735568  223.1272       12.11449  250.1946       8.103552  972.7576 26.47471 1030.859 16.71117 -58.10132      31.30772 
1 1 1 9   13 3  o 370.5697 11.04454 32.31230       1.925249  0.000000       0.000000  32.31230       1.925249  ?        ?        370.5697 11.04454 0.000000       11.04454 
1 1 1 9   13 4  o 1069.923 12.77795 269.3950       6.431069  285.9394       15.06490  265.7081       7.111630  1100.991 29.08796 1062.505 14.22882 38.48584       32.38161 
1 1 1 9   13 5  o 1109.716 15.85199 289.8895       8.274940  318.0738       16.57225  280.5285       9.550785  1161.096 30.34200 1091.477 18.60181 69.61926       35.59023 
1 1 1 9   13 6  o 656.0442 16.84000 101.3257       5.196901  0.000000       0.000000  101.3257       5.196901  ?        ?        656.0442 16.84000 0.000000       16.84000 
1 1 1 9   13 7  o 1601.720 19.21899 604.1627       14.48060  613.1951       18.20087  588.5851       23.90235  1613.088 23.98638 1579.163 32.17691 33.92505       40.13352 
1 1 1 9   13 8  o 554.7482 12.40655 72.42082       3.237549  67.79929       4.281859  78.58970       4.947001  536.6312 16.96239 577.7145 18.20369 -41.08331      24.88166 
1 1 1 9   13 9  o 815.0753 15.94893 156.4001       6.115029  177.8538       12.73660  149.9734       6.971032  868.0469 31.19184 798.0219 18.57005 70.02509       36.30121 
1 1 1 9   13 10 o 454.0410 14.66714 48.52776       3.132635  49.52670       4.330529  47.43123       4.537117  458.5241 20.07749 448.6682 21.49738 9.855896       29.41501 
1 1 1 9   13 11 o 1780.553 21.42897 747.0889       17.94840  731.5696       29.21784  756.4945       22.74610  1759.109 35.30905 1790.730 27.00272 -31.62109      44.45082 
1 1 1 9   13 12 o 1280.140 15.75302 385.8655       9.486160  381.9605       13.22906  389.9985       13.60996  1272.964 22.09244 1286.237 22.49399 -13.27295      31.52865 
1 1 1 9   13 13 o 818.7553 14.22343 157.8257       5.478071  149.9063       7.368009  167.6145       8.191599  797.5915 19.63814 843.3018 20.64983 -45.71027      28.49688 
1 1 1 9   13 14 o 849.1429 16.20868 169.8328       6.474374  166.6047       7.943976  176.2188       11.17321  840.7125 20.08728 863.8025 27.49757 -23.09003      34.05312 
1 1 1 9   13 15 o 1459.219 17.50101 501.7637       12.01304  494.1277       16.56117  510.2431       17.45180  1446.802 24.33395 1470.003 25.23787 -23.20117      35.05840 
1 1 1 9   13 16 o 1169.415 16.21054 322.2482       8.917341  320.5927       12.45405  323.9899       12.77409  1165.355 22.71867 1171.425 23.18175 -6.069702      32.45815 
1 1 1 9   13 17 o 510.9342 21.99490 61.65216       5.286355  58.38288       10.63489  62.72504       6.092329  491.6512 46.53779 515.0375 25.14636 -23.38638      52.89712 
1 1 1 9   13 18 o 325.8848 26.23019 25.31354       3.986956  22.44055       6.067993  27.49605       5.288795  302.9739 43.85190 338.3394 33.67789 -35.36554      55.29186 
1 1 1 9   13 19 o 286.4415 28.98691 19.69024       3.852007  12.93995       5.749242  25.18877       5.188875  226.0894 54.66067 323.0974 34.68320 -97.00795      64.73572 
1 1 1 9   13 20 o 347.0831 26.45789 28.78710       4.287204  28.97368       5.560757  28.51367       6.731725  346.3051 34.59852 341.1298 42.89931 5.175323       55.11269 
1 1 1 9   13 21 o 353.5463 23.72402 29.81809       3.922648  32.22922       5.457855  27.24186       5.641632  365.5712 32.06193 334.6264 36.42915 30.94482       48.52886 
1 1 1 9   13 22 o 736.6716 20.97186 128.8022       7.267419  125.5529       8.556183  137.2176       13.76959  725.9217 25.05653 751.0891 39.10786 -25.16742      46.44625 
1 1 1 9   13 23 o 238.9802 33.22462 14.03367       3.633963  11.58226       5.263956  16.26571       5.022913  210.8410 53.10360 254.0563 43.59980 -43.21533      68.70906 
1 1 1 9   13 24 o 411.8624 25.07951 40.74768       4.835783  46.37337       8.331028  37.88910       5.938630  431.9476 41.51264 394.3944 32.29315 37.55319       52.59417 
1 1 1 9   13 25 o 68.01051 33.12104 -5.804035      3.407691  -6.713013      4.913305  -4.961507      4.730309  85.78168 41.28486 89.34934 42.30318 -3.567657      59.11005 
1 1 1 9   13 26 o 159.1878 45.77917 6.574491       3.611393  10.92272       5.216125  2.571163       5.004978  201.7923 53.92174 130.3697 52.70399 71.42262       75.40070 
1 1 1 9   13 27 f 288.1887 36.28366 20.79606       4.809745  21.84453       5.728431  18.29073       8.855061  292.0594 42.98144 250.2320 71.60310 41.82739       83.51292 
1 1 1 9   13 28 o 462.0449 21.61884 51.23527       4.698789  50.39639       6.649086  52.07214       6.641104  452.2912 31.44732 460.1619 30.85906 -7.870636      44.05922 
1 1 1 9   13 29 o 574.8144 20.16036 79.29134       5.451240  73.43146       7.544043  85.69408       7.885739  546.3387 29.46331 591.8636 28.32380 -45.52484      40.86960 
1 1 1 9   13 30 o 313.6159 29.80991 24.50871       4.344840  27.90428       7.750525  22.95262       5.246784  316.2934 54.03247 298.1440 38.29619 18.14941       66.22768 
1 1 1 9   13 31 o 64.40986 31.58618 -5.807302      3.261154  -8.561237      5.412803  -4.237997      4.086007  83.54443 40.91204 81.09937 38.65962 2.445053       56.28819 
1 1 1 9   13 32 o 258.6216 34.01223 17.41544       4.037437  14.98811       5.838244  19.64031       5.589472  221.9197 55.94265 264.4184 46.64240 -42.49866      72.83607 
1 1 1 9   13 33 o 113.6109 45.74304 2.776715       3.753684  -3.156956      5.289585  8.796077       5.327642  95.68069 45.12852 165.5132 56.75597 -69.83251      72.51085 
1 1 1 9   15 0  o 1600.563 18.83057 603.2512       14.17769  622.5817       17.84398  570.1546       23.34865  1625.491 23.33662 1554.316 31.93398 71.17456       39.55221 
1 1 1 9   15 1  o 693.1038 10.73639 113.0322       3.500465  123.3687       5.530758  106.1247       4.521242  723.9232 16.24138 671.4919 14.31356 52.43127       21.64857 
1 1 1 9   15 2  f 1815.435 20.83120 776.2987       17.78952  730.6779       29.19275  803.2469       22.43666  1758.910 35.28273 1845.958 25.83849 -87.04846      43.73212 
1 1 1 9   15 3  o 1457.340 15.27417 499.9219       10.47099  498.8110       22.59815  500.2257       11.81598  1453.620 33.04857 1457.626 17.23273 -4.006470      37.27164 
1 1 1 9   15 4  o 1206.343 13.58510 342.4958       7.709083  328.4780       16.76071  346.2570       8.681938  1179.930 30.19721 1212.851 15.21738 -32.92114      33.81480 
1 1 1 9   15 5  o 322.6741 12.53082 24.50230       1.902011  26.10880       6.448722  24.34923       1.990562  329.4404 42.61144 321.6556 13.15574 7.784760       44.59606 
1 1 1 9   15 6  o 510.7531 32.28248 61.83116       7.716261  61.83116       7.716261  0.000000       0.000000  510.7531 32.28248 ?        ?        0.000000       32.28248 
1 1 1 9   15 7  o 1070.202 16.18172 269.6491       8.146287  284.7206       16.16584  264.5193       9.431296  1098.222 31.29239 1059.782 18.91845 38.44055       36.56667 
1 1 1 9   15 8  o 137.2896 29.77502 4.620710       1.867544  5.175047       2.366771  3.706102       3.040091  145.0993 35.06537 128.7063 42.87593 16.39304       55.38886 
1 1 1 9   15 9  o 821.4180 17.63057 158.9031       6.812394  158.9031       6.812394  0.000000       0.000000  821.4180 17.63057 ?        ?        0.000000       17.63057 
1 1 1 9   15 10 o 1277.588 21.78744 384.7182       13.09382  0.000000       0.000000  384.7182       13.09382  ?        ?        1277.588 21.78744 0.000000       21.78744 
1 1 1 9   15 11 o 1622.924 17.62216 620.4240       13.45323  607.9807       18.48871  634.4258       19.61246  1605.446 24.48171 1639.804 25.42558 -34.35779      35.29609 
1 1 1 9   15 12 o 1082.276 14.57602 275.8073       7.420722  260.6991       9.859560  295.5483       11.27033  1051.699 19.92951 1119.608 21.39939 -67.90894      29.24242 
1 1 1 9   15 13 o 805.6984 14.18166 152.8629       5.374881  146.4213       7.276145  160.5998       7.974181  788.1102 19.62660 825.2967 20.54029 -37.18646      28.40963 
1 1 1 9   15 14 o 1058.010 15.06733 263.6847       7.498861  249.7047       9.935239  282.1924       11.43145  1028.907 20.52736 1093.526 22.22302 -64.61951      30.25285 
1 1 1 9   15 15 o 900.4438 20.82658 191.3514       8.821529  191.3514       8.821529  0.000000       0.000000  900.4438 20.82658 ?        ?        0.000000       20.82658 
1 1 1 9   15 16 o 424.4462 22.01902 42.67626       4.381226  40.45449       4.925235  51.09988       9.590185  412.7097 25.49440 459.7567 44.91724 -47.04691      51.64807 
1 1 1 9   15 17 o 570.7642 24.36498 77.12138       6.541724  0.000000       0.000000  77.12138       6.541724  ?        ?        570.7642 24.36498 0.000000       24.36498 
1 1 1 9   15 18 o 345.3157 27.61353 28.49861       4.447946  27.01249       9.531942  28.91229       5.029055  325.2286 64.58263 347.0920 31.13251 -21.86334      71.69483 
1 1 1 9   15 19 f 136.4959 42.87401 4.473843       3.066908  3.819662       4.180409  5.236329       4.513212  136.8763 49.94184 151.8475 52.22839 -14.97122      72.26335 
1 1 1 9   15 20 o 955.8905 18.52048 216.2178       8.327788  208.3177       10.24223  231.6290       14.30530  936.6357 23.24634 984.0727 30.90298 -47.43701      38.67023 
1 1 1 9   15 21 o 258.5305 28.79253 16.17666       3.442073  14.63175       4.663635  18.02524       5.101423  241.7374 42.56684 269.2407 41.62177 -27.50328      59.53409 
1 1 1 9   15 22 o 354.7758 22.62414 30.08436       3.756000  33.71165       5.399190  26.68279       5.228494  373.0986 31.04536 330.6264 34.10772 42.47217       46.12105 
1 1 1 9   15 23 o 496.0910 21.21576 58.59728       4.950959  63.88229       7.885324  55.15798       6.361099  512.6768 32.87009 478.2289 28.40409 34.44785       43.44232 
1 1 1 9   15 24 o 330.6161 25.10296 26.34363       3.874926  24.52428       5.370026  28.32001       5.596963  314.5343 37.00177 338.8569 35.64747 -24.32257      51.37970 
1 1 1 9   15 25 o 155.1288 43.40630 6.198657       3.292092  2.050703       4.686012  10.24106       4.626009  124.3622 50.73004 197.0333 49.86752 -72.67111      71.13583 
1 1 1 9   15 26 o 296.4176 30.11264 21.54645       4.140473  19.30900       5.322339  24.97622       6.589590  275.0003 42.51482 311.2372 46.42913 -36.23691      62.95375 
1 1 1 9   15 27 o 300.4698 33.98433 22.48028       4.718957  38.97147       7.212968  10.13972       6.239584  393.0111 39.55309 191.7696 61.26041 201.2415       72.91972 
1 1 1 9   15 28 o 186.6749 41.55603 9.152604       3.555282  14.94768       5.198405  4.059927       4.873194  236.1325 48.42512 137.8874 53.14787 98.24509       71.90054 
1 1 1 9   15 29 o 321.5377 27.12654 25.44517       4.064633  23.26397       6.270422  27.02590       5.338015  295.1249 46.72302 326.5765 35.30976 -31.45163      58.56466 
1 1 1 9   15 30 o 174.4444 41.38804 8.205976       3.345087  10.53805       5.555004  6.879233       4.189929  189.1620 57.40565 157.3736 50.19254 31.78831       76.25417 
1 1 1 9   15 31 o 130.3438 46.00767 4.454301       3.514490  -0.6007729     4.960050  9.551130       4.980493  105.6179 47.53751 179.0228 54.36226 -73.40492      72.21545 
1 1 1 9   15 32 o 214.6940 40.52559 12.68213       3.942741  11.99465       5.890305  13.24019       5.306965  192.4799 59.24792 207.9807 53.82827 -15.50073      80.04872 
1 1 1 9   17 0  f 1216.397 13.48551 348.2528       7.716351  378.1630       11.78355  325.7977       10.20996  1267.046 19.77036 1176.167 18.45379 90.87903       27.04458 
1 1 1 9   17 1  o 1662.454 17.03126 650.7646       13.31882  664.1424       19.37976  638.7904       18.33496  1678.445 24.54550 1646.231 23.67662 32.21423       34.10372 
1 1 1 9   17 2  o 490.6629 11.91755 56.65585       2.750675  60.76090       4.989223  54.86320       3.297019  507.8384 20.88518 482.7737 14.51806 25.06473       25.43550 
1 1 1 9   17 3  o 1073.794 12.64348 271.3651       6.386410  280.2914       15.10738  269.4228       7.047045  1089.797 29.46961 1069.868 14.00256 19.92847       32.62713 
1 1 1 9   17 4  o 2014.521 19.78102 956.0152       18.74519  956.3021       39.20929  955.9302       21.34219  2009.474 41.47985 2013.962 22.52778 -4.487793      47.20253 
1 1 1 9   17 5  o 1487.858 15.74705 521.2032       11.02123  527.3484       24.05771  519.5710       12.39883  1493.757 34.23773 1485.321 17.74561 8.435547       38.56331 
1 1 1 9   17 6  o 748.7568 11.40529 131.9361       4.017136  137.9608       10.60217  130.9261       4.340791  764.4495 29.48333 745.8486 12.37226 18.60083       31.97404 
1 1 1 9   17 7  o 837.8860 12.39014 165.2378       4.883493  172.6516       12.32404  163.8568       5.318902  854.9671 30.64322 834.3207 13.55251 20.64636       33.50638 
1 1 1 9   17 8  o 364.3922 18.70729 31.36460       3.195824  22.47325       7.187091  33.55591       3.567969  302.9803 52.31915 376.8097 20.20295 -73.82935      56.08434 
1 1 1 9   17 9  o 724.9847 12.16335 123.7160       4.148121  119.1164       5.524160  129.6626       6.281130  711.1529 16.51330 741.8697 17.99869 -30.71680      24.42626 
1 1 1 9   17 10 o 204.0046 26.55970 9.990834       2.488348  9.092033       2.696572  15.14566       6.457839  193.7824 30.59760 246.7603 56.80990 -52.97791      64.52579 
1 1 1 9   17 11 o 601.2914 16.81248 85.18518       4.755388  78.62664       9.580038  87.32956       5.477911  574.8672 35.60186 608.6566 19.13257 -33.78937      40.41717 
1 1 1 9   17 12 o 610.1428 13.49423 87.66944       3.873012  83.32106       5.040579  93.93687       6.051484  594.5262 18.02354 631.0677 20.38527 -36.54150      27.21043 
1 1 1 9   17 13 o 673.0032 14.04415 106.6967       4.446126  103.8331       5.903278  110.4504       6.758728  663.4898 18.91427 684.0803 21.00335 -20.59045      28.26465 
1 1 1 9   17 14 o 341.4834 18.38710 27.59071       2.942721  27.19851       3.947151  28.08148       4.415372  338.1876 24.98868 343.2605 27.57755 -5.072906      37.21499 
1 1 1 9   17 15 o 833.9891 14.75174 163.9655       5.787259  149.2652       7.384593  187.3662       9.317042  795.0077 19.74631 890.2231 22.24897 -95.21545      29.74783 
1 1 1 9   17 16 o 298.0752 23.36758 21.16257       3.250244  17.07194       4.497663  25.63379       4.702238  264.7596 37.13455 326.8213 30.95512 -62.06177      48.34453 
1 1 1 9   17 17 f 444.3180 17.72545 46.63712       3.704764  42.54758       4.971268  51.74532       5.556022  422.7346 25.11221 466.2672 25.42746 -43.53256      35.73764 
1 1 1 9   17 18 o 162.9352 39.49782 6.649007       2.995847  5.372599       4.054385  8.184045       4.446207  150.6389 49.48269 180.1875 50.45355 -29.54860      70.66893 
1 1 1 9   17 19 o 242.1485 43.23101 14.65224       4.743662  18.38288       8.855628  13.15101       5.617593  263.0589 70.24266 226.2776 53.60071 36.78133       88.35761 
1 1 1 9   17 20 o 142.0434 42.40514 5.002347       3.049510  5.173403       4.210608  4.813642       4.422506  148.5312 50.45918 146.3380 51.61458 2.193161       72.18168 
1 1 1 9   17 21 o 293.0856 25.14795 20.65420       3.433518  20.02317       4.799909  21.31546       4.913541  285.1026 36.63784 294.4279 36.24212 -9.325287      51.53467 
1 1 1 9   17 22 o 187.9759 45.23038 9.090685       3.950943  9.942835       4.522996  6.346611       8.116450  195.6935 49.18930 176.1219 68.39281 19.57158       84.24466 
1 1 1 9   17 23 o 501.5590 18.56338 59.76273       4.379740  60.51567       6.188029  59.00692       6.199765  501.5457 26.32038 495.0678 26.72100 6.477875       37.50699 
1 1 1 9   17 24 o 94.99076 40.11872 0.4402915      3.078247  1.266661       4.326295  -0.4070369     4.380815  115.7087 48.12326 105.8465 46.29663 9.862251       66.77744 
1 1 1 9   17 25 f 199.1110 50.93692 10.53757       4.790204  15.67777       8.805415  8.376933       5.708870  233.9276 72.51212 178.6841 58.71836 55.24356       93.30516 
1 1 1 9   17 26 o 100.3313 41.17618 1.133644       3.110724  2.556700       4.484587  -0.1859988     4.318565  125.1906 50.14172 105.5082 46.06236 19.68234       68.08768 
1 1 1 9   17 27 o 201.2296 35.44810 10.30634       3.232896  9.910951       4.673507  10.66915       4.476842  190.9078 51.05147 199.2314 48.27556 -8.323593      70.26224 
1 1 1 9   17 28 o 216.1570 36.26139 11.98722       3.556508  6.334721       5.340984  16.49030       4.767118  156.6277 56.55648 251.1686 41.81833 -94.54088      70.33781 
1 1 1 9   17 29 o 276.5718 27.22812 18.95248       3.496446  15.46373       5.440096  21.40796       4.563936  235.5871 50.59932 290.0970 34.09499 -54.50987      61.01442 
1 1 1 9   17 30 o 120.9626 45.61821 3.416304       3.540184  -3.406659      4.939271  10.62426       5.076711  93.94251 44.08980 189.8294 54.18034 -95.88689      69.85284 
1 1 1 9   17 31 o 119.7057 49.51895 2.681035       4.545743  0.000000       0.000000  2.681035       4.545743  ?        ?        119.7057 49.51895 0.000000       49.51895 
1 1 1 9   19 0  o 801.1042 11.22158 151.0361       4.228754  163.2033       6.182923  140.3423       5.796487  832.4997 15.78849 771.9839 15.96200 60.51581       22.45132 
1 1 1 9   19 1  o 745.8215 15.98122 130.9915       5.606787  131.7479       7.388217  129.9643       8.609561  747.6373 21.00774 742.2620 24.65781 5.375366       32.39341 
1 1 1 9   19 2  o 473.9100 12.72143 52.86552       2.835966  56.57809       4.924369  51.02312       3.469000  489.9179 21.36771 465.4781 15.84294 24.43982       26.60033 
1 1 1 9   19 3  o 1284.671 21.95873 389.0968       13.26992  379.6076       18.89338  398.3354       18.64215  1267.277 31.69340 1298.393 30.52252 -31.11658      44.00109 
1 1 1 9   19 4  o 312.3955 12.41628 22.97149       1.824592  26.54281       6.494744  22.66548       1.901157  331.7619 42.60075 310.2955 13.02486 21.46640       44.54740 
1 1 1 9   19 5  o 1569.992 18.55639 580.7982       13.70440  607.6100       27.59627  572.0215       15.78889  1601.605 36.62906 1557.590 21.54910 44.01453       42.49767 
1 1 1 9   19 6  o 985.3472 12.46915 228.5564       5.779570  233.4424       14.59144  227.6471       6.294386  993.5650 31.21997 983.3043 13.60806 10.26068       34.05680 
1 1 1 9   19 7  o 1269.328 14.36198 379.4174       8.575460  396.2545       20.54343  375.8645       9.436974  1293.617 33.75965 1263.199 15.88151 30.41846       37.30866 
1 1 1 9   19 8  o 1238.110 14.50460 361.0276       8.447619  340.9632       18.38503  366.3975       9.511089  1199.967 32.57060 1247.075 16.21318 -47.10840      36.38285 
1 1 1 9   19 9  o 825.8870 14.64679 160.6687       5.690263  0.000000       0.000000  160.6687       5.690263  ?        ?        825.8870 14.64679 0.000000       14.64679 
1 1 1 9   19 10 o 575.7842 12.03049 78.06298       3.258458  74.49773       4.166481  83.67766       5.228617  562.2572 15.75307 595.6627 18.66023 -33.40552      24.42055 
1 1 1 9   19 11 o 257.4101 17.71546 15.70000       2.132039  17.28804       2.757244  13.33851       3.362299  269.6767 21.92497 235.1600 31.16269 34.51665       38.10272 
1 1 1 9   19 12 o 538.0685 20.00411 68.35690       5.063211  72.38407       9.514266  66.76576       5.980379  549.9548 36.99233 531.3308 23.92734 18.62396       44.05621 
1 1 1 9   19 13 o 935.5421 13.84566 206.2841       6.093211  205.2402       8.420726  207.4315       8.827888  932.2814 19.20142 937.0814 20.02674 -4.799988      27.74463 
1 1 1 9   19 14 o 128.1467 36.50726 4.022964       2.307133  0.9971395      3.035353  8.162796       3.550412  100.5284 40.89798 180.8070 42.46707 -80.27858      58.95843 
1 1 1 9   19 15 o 359.0840 17.29848 30.45120       2.921953  26.67782       3.802409  35.89270       4.566175  334.5731 24.32659 388.1803 25.14142 -53.60715      34.98391 
1 1 1 9   19 16 o 558.4275 18.14860 73.71784       4.767373  72.03036       5.364825  80.05351       10.39516  551.5839 20.67639 575.6202 38.61441 -24.03638      43.80167 
1 1 1 9   19 17 o 665.2042 14.98625 104.4828       4.689400  99.07214       6.325769  111.0837       6.987060  646.5862 20.79781 684.4344 21.70168 -37.84814      30.05847 
1 1 1 9   19 18 o 300.9272 23.28875 21.65034       3.271013  20.18855       4.101063  24.20630       5.422902  288.7923 30.65731 314.4959 37.38882 -25.70361      48.35074 
1 1 1 9   19 19 o 215.9358 29.23122 11.36298       2.892890  9.733586       3.810446  13.57998       4.444735  196.0732 42.53651 232.5794 42.17940 -36.50620      59.90372 
1 1 1 9   19 20 o 476.5345 22.48017 54.06311       5.039219  46.40310       10.29966  56.47380       5.778008  427.7453 52.27584 485.6089 25.38242 -57.86356      58.11222 
1 1 1 9   19 21 o 180.6464 35.88896 8.188542       2.942224  9.777181       4.095009  6.493324       4.230146  195.0555 45.46928 160.6506 50.33488 34.40486       67.83109 
1 1 1 9   19 22 o 160.5696 38.67909 6.558852       2.886834  6.984116       4.093377  6.138037       4.071908  165.0701 49.09575 156.2805 49.44215 8.789536       69.67724 
1 1 1 9   19 23 o 263.0126 34.26277 17.10670       4.138399  19.63789       4.907633  10.87693       7.699213  280.5070 38.18514 202.3172 68.23488 78.18990       78.19273 
1 1 1 9   19 24 o 248.5842 30.13183 15.18071       3.451462  18.18883       4.638917  11.45065       5.165669  269.4366 37.62758 207.1505 52.84249 62.28609       64.87036 
1 1 1 9   19 25 o 189.0006 36.64498 9.093719       3.140371  8.209579       4.471428  9.954314       4.411490  175.6634 51.06211 193.5672 48.53754 -17.90372      70.45021 
1 1 1 9   19 26 o 407.7320 24.79329 40.28794       4.732726  37.09869       9.255235  41.41716       5.507213  371.2453 54.63128 411.4261 28.63427 -40.18076      61.68061 
1 1 1 9   19 27 o 281.2798 27.84467 19.50007       3.635863  16.07907       5.471493  22.20521       4.865468  243.6704 49.42502 296.2179 35.63242 -52.54747      60.93031 
1 1 1 9   19 28 o 236.7046 31.25630 14.12615       3.395150  21.52794       5.615321  9.861135       4.262521  285.1832 43.21206 189.0123 47.88512 96.17091       64.50013 
1 1 1 9   19 29 o 98.12955 43.41821 -0.2302592     3.956760  -5.187277      4.896359  9.099287       6.717278  87.45505 41.86158 174.4132 63.35735 -86.95813      75.93777 
1 1 1 9   21 0  o 1092.085 14.58955 280.9193       7.494930  310.0476       13.12053  266.8106       9.131412  1145.828 24.34236 1063.873 18.24647 81.95508       30.42177 
1 1 1 9   21 1  o 652.4849 16.52949 100.3206       5.073400  100.3206       5.073400  0.000000       0.000000  652.4849 16.52949 ?        ?        0.000000       16.52949 
1 1 1 9   21 2  o 1033.278 13.34271 251.4255       6.485307  278.8799       10.49007  234.4400       8.251081  1087.319 20.50935 997.3126 17.58775 90.00629       27.01782 
1 1 1 9   21 3  o 766.6046 11.46327 138.3522       4.133798  163.3472       11.58616  134.7063       4.425029  830.7842 29.64709 756.3740 12.43685 74.41022       32.15004 
1 1 1 9   21 4  o 168.6888 21.91174 6.828074       1.697668  7.535673       5.979936  6.766045       1.770515  180.8733 60.12804 167.7321 23.04870 13.14113       64.39429 
1 1 1 9   21 5  o 944.0610 12.36457 209.8682       5.490960  227.4079       14.23728  206.8034       5.951391  979.7266 30.89248 937.0372 13.50182 42.68933       33.71416 
1 1 1 9   21 6  o 464.2733 10.94608 50.74644       2.390571  71.43282       8.440081  48.94212       2.492648  547.7526 32.90881 455.9168 11.62267 91.83575       34.90095 
1 1 1 9   21 7  o 446.6469 12.81901 46.98702       2.693321  39.41736       7.917403  47.97762       2.864134  404.2026 42.26541 451.2964 13.49156 -47.09375      44.36650 
1 1 1 9   21 8  o 802.8055 15.30380 151.9126       5.779350  0.000000       0.000000  151.9126       5.779350  ?        ?        802.8055 15.30380 0.000000       15.30380 
1 1 1 9   21 9  o 691.6133 11.44322 112.6496       3.722897  112.1582       10.69120  112.7174       3.971461  686.8319 33.09076 691.7598 12.20466 -4.927917      35.26971 
1 1 1 9   21 10 o 472.5221 12.98454 52.61013       2.886143  59.15577       8.717621  51.80436       3.058631  496.3931 37.61331 468.8299 13.86891 27.56317       40.08875 
1 1 1 9   21 11 o 830.1774 18.64048 162.7588       7.279429  163.6445       13.13645  162.3663       8.744860  828.6336 33.70127 828.4222 22.44046 0.2114258      40.48889 
1 1 1 9   21 12 o 466.1719 12.57775 51.21672       2.758152  47.45395       3.488824  57.48793       4.504031  448.3900 16.54070 493.1983 19.41380 -44.80832      25.50471 
1 1 1 9   21 13 o 119.2822 33.05778 3.500088       1.919088  3.019090       2.391372  4.370264       3.216466  114.7835 38.01711 136.1521 44.03545 -21.36856      58.17578 
1 1 1 9   21 14 o 332.4398 22.02206 26.30183       3.424316  23.47503       7.685752  27.00195       3.824933  304.5074 55.70907 336.4262 24.33352 -31.91876      60.79161 
1 1 1 9   21 15 o 336.3669 16.76092 26.73981       2.652043  26.86163       3.518016  26.57946       4.036282  335.7715 22.40189 333.2681 25.95112 2.503448       34.28273 
1 1 1 9   21 16 o 264.5925 20.72557 16.69938       2.558985  15.76867       3.358243  17.98806       3.951638  255.4754 28.42633 272.3099 31.42622 -16.83449      42.37527 
1 1 1 9   21 17 o 346.3884 28.69613 28.88752       4.633693  0.000000       0.000000  28.88752       4.633693  ?        ?        346.3884 28.69613 0.000000       28.69613 
1 1 1 9   21 18 o 238.7523 25.15291 13.74062       2.782410  14.12478       3.733712  13.26084       4.172613  239.7660 34.06192 230.3935 39.94865 9.372467       52.49866 
1 1 1 9   21 19 o 354.4092 18.61293 29.86756       3.092190  28.24393       4.176214  31.83789       4.600550  342.8042 26.09402 363.7876 27.07784 -20.98337      37.60462 
1 1 1 9   21 20 o 365.3394 18.58834 31.75070       3.183981  33.02341       4.460520  30.42853       4.546366  370.7243 25.73738 355.2799 27.41549 15.44434       37.60348 
1 1 1 9   21 21 o 620.5403 22.95327 91.89502       6.700139  0.000000       0.000000  91.89502       6.700139  ?        ?        620.5403 22.95327 0.000000       22.95327 
1 1 1 9   21 22 o 125.6728 40.53321 3.840201       2.726620  3.371798       3.792736  4.341227       3.922589  127.5630 47.39255 137.4705 48.59665 -9.907555      67.87995 
1 1 1 9   21 23 f 363.0213 20.61904 31.54062       3.506506  27.69693       4.821962  35.85439       5.108315  336.5020 30.80440 384.2108 28.46688 -47.70871      41.94371 
1 1 1 9   21 24 o 344.9552 25.84768 28.85030       4.163751  30.16273       4.742031  24.43222       8.700493  351.4448 28.94119 295.5758 64.39703 55.86896       70.60149 
1 1 1 9   21 25 o 171.9358 36.20515 7.589350       2.835683  6.528409       3.767885  8.975205       4.306365  157.3416 47.17311 182.6906 49.06924 -25.34903      68.06683 
1 1 1 9   21 26 o 94.12185 39.57732 0.6816074      2.974542  3.912010       5.031156  -1.054373      3.688178  137.1487 53.68344 91.83207 41.18990 45.31661       67.66476 
1 1 1 9   21 27 o 80.64076 37.19918 -2.005182      3.284947  0.000000       0.000000  -2.005182      3.284947  ?        ?        80.64076 37.19918 0.000000       37.19918 
1 1 1 9   21 28 o 205.9489 31.68001 10.83991       2.970774  8.258027       4.775771  12.46955       3.794206  169.3701 53.54109 217.3156 38.52652 -47.94551      65.96166 
1 1 1 9   23 0  o 823.4707 11.68338 159.7059       4.525702  169.1356       6.526570  150.9722       6.281103  846.8815 16.38298 800.0773 16.68917 46.80420       23.38654 
1 1 1 9   23 1  o 711.4440 13.79192 119.2713       4.615670  127.6454       5.752271  104.1320       7.734349  735.6837 16.62183 663.3745 24.78539 72.30920       29.84293 
1 1 1 9   23 2  o 532.9224 13.08475 66.91248       3.280189  70.03566       5.267375  64.93407       4.192303  544.5372 20.56352 524.6790 16.98595 19.85822       26.67172 
1 1 1 9   23 3  o 319.0824 15.00292 24.00122       2.251894  12.69322       5.948565  25.89283       2.432964  224.4404 56.40870 331.3869 15.60741 -106.9465      58.52805 
1 1 1 9   23 4  o 1013.942 12.95617 242.2269       6.179580  227.4673       14.00046  245.7981       6.886721  978.7305 30.40953 1021.190 14.33629 -42.45898      33.61947 
1 1 1 9   23 5  o 671.1525 11.39023 106.0931       3.596027  124.5244       10.85385  103.8204       3.811286  723.6805 31.88362 663.8566 12.20472 59.82385       34.13972 
1 1 1 9   23 6  o 744.9252 14.20064 130.8111       4.976110  139.7444       11.09949  128.5640       5.566904  766.7531 30.77360 738.2709 16.02982 28.48218       34.69827 
1 1 1 9   23 7  f 609.4932 11.69752 87.51354       3.353760  0.000000       0.000000  87.51354       3.353760  ?        ?        609.4932 11.69752 0.000000       11.69752 
1 1 1 9   23 8  o 768.8366 12.36579 139.2938       4.472241  0.000000       0.000000  139.2938       4.472241  ?        ?        768.8366 12.36579 0.000000       12.36579 
1 1 1 9   23 9  o 454.4736 10.88898 48.65598       2.327904  51.24852       8.336181  48.43671       2.424351  460.6870 38.82929 453.4166 11.36655 7.270416       40.45877 
1 1 1 9   23 10 o 318.2505 10.56996 23.85957       1.582383  35.34483       7.620142  23.34198       1.617646  380.3724 43.36280 314.7627 10.92524 65.60968       44.71793 
1 1 1 9   23 11 o 368.7116 13.67591 32.06588       2.371987  43.43044       8.349659  31.06822       2.473912  421.9604 42.65123 362.8672 14.49330 59.09323       45.04646 
1 1 1 9   23 12 o 321.3345 17.07336 24.46935       2.571488  36.23663       8.128016  23.16054       2.710725  383.5070 45.97107 312.3866 18.52970 71.12039       49.56500 
1 1 1 9   23 13 o 540.4725 16.77613 69.04396       4.265153  68.01427       9.853634  69.28136       4.731354  529.0399 39.88825 541.0982 18.58832 -12.05835      44.00679 
1 1 1 9   23 14 o 488.1597 13.76622 56.24788       3.161157  70.98692       4.679342  43.87437       4.287426  547.6817 18.16299 430.0926 21.19168 117.5891       27.91024 
1 1 1 9   23 15 o 829.4915 17.25489 162.7953       6.732764  176.3972       14.55620  159.0933       7.593908  854.8871 36.19679 819.2686 19.70469 35.61847       41.21265 
1 1 1 9   23 16 o 763.1193 13.53828 137.4999       4.859875  135.8835       6.630314  139.3765       7.144226  757.3222 18.61161 766.6241 19.81086 -9.301941      27.18202 
1 1 1 9   23 17 o 455.0233 14.84172 48.93707       3.176780  49.43919       4.219047  48.27969       4.827460  456.5118 19.64685 449.8808 22.88692 6.630951       30.16305 
1 1 1 9   23 18 o 84.74372 34.62704 0.6937766      2.187875  -0.4852741     2.872825  2.321980       3.375959  85.69535 37.48658 115.1457 44.27590 -29.45038      58.01378 
1 1 1 9   23 19 o 87.12562 35.65225 0.7344470      2.323587  -1.374854      3.108616  3.404962       3.497802  83.45460 37.59114 126.2739 45.74223 -42.81934      59.20681 
1 1 1 9   23 20 o 108.8301 39.19074 2.511136       2.562362  1.931629       3.790355  2.998871       3.477304  115.5129 46.15700 121.8983 45.36100 -6.385399      64.71545 
1 1 1 9   23 21 o 304.3708 20.40389 22.16611       2.904454  25.11540       4.136411  19.29781       4.079221  321.8970 27.58373 280.5757 31.44813 41.32129       41.83117 
1 1 1 9   23 22 o 209.0096 34.85411 10.95490       3.306124  10.63318       7.167698  11.04185       3.726182  198.3455 65.82409 208.1534 39.49992 -9.807922      76.76623 
1 1 1 9   23 23 o 160.2028 36.62019 6.581427       2.699508  3.528896       3.710030  10.01587       3.935280  127.2369 46.95182 195.7746 43.82411 -68.53767      64.22636 
1 1 1 9   23 24 o 190.5516 30.51153 9.083872       2.642648  7.659028       3.781550  10.44388       3.694509  169.6249 46.16020 200.5229 40.56065 -30.89796      61.44860 
1 1 1 9   23 25 o 214.8390 33.51170 11.69371       3.276195  15.54327       3.735774  -1.128121      6.817894  248.6352 32.73697 123.4561 55.63433 125.1791       64.55144 
1 1 1 9   23 26 o 184.6098 31.55994 8.674027       2.642225  5.451844       4.192212  10.79756       3.403280  144.5315 50.30106 203.8986 36.83825 -59.36716      62.34784 
1 1 1 9   25 0  o 874.7270 12.01702 180.3095       4.944686  197.8428       7.325428  165.6345       6.701797  915.3879 17.01212 837.5692 17.00988 77.81879       24.05719 
1 1 1 9   25 1  o 193.8699 21.79976 9.006032       1.953591  9.502402       2.818732  8.547198       2.710060  197.3668 31.41347 186.8433 31.98424 10.52347       44.83076 
1 1 1 9   25 2  o 724.6577 12.74610 123.7792       4.344898  132.8986       6.921689  117.8492       5.581564  749.7648 19.62536 706.5228 16.79424 43.24207       25.83024 
1 1 1 9   25 3  o 199.5135 19.32068 9.496415       1.790561  9.512486       5.889973  9.494779       1.879516  195.2909 59.07661 199.3452 20.32781 -4.054382      62.47612 
1 1 1 9   25 4  o 462.8047 11.86867 50.47535       2.583860  59.03687       8.104710  49.50671       2.726112  495.6590 34.98508 458.2823 12.64565 37.37671       37.20038 
1 1 1 9   25 5  o 467.2461 14.99665 51.51266       3.296167  47.29489       7.847112  52.41628       3.632133  442.3615 38.08177 471.1812 16.38719 -28.81970      41.45795 
1 1 1 9   25 6  o 446.1352 11.31181 46.90133       2.373931  54.10226       8.179828  46.23904       2.480698  473.5265 37.01678 442.9294 11.90611 30.59702       38.88441 
1 1 1 9   25 7  o 460.5676 10.75657 49.97909       2.330432  44.23306       8.161847  50.48912       2.431660  426.3745 41.20747 462.8801 11.16773 -36.50565      42.69396 
1 1 1 9   25 8  o 457.1789 10.42542 49.24434       2.242068  38.46611       8.181093  50.11959       2.331325  395.9377 44.70839 461.1992 10.74596 -65.26147      45.98169 
1 1 1 9   25 9  o 327.2321 15.06215 25.27955       2.318527  25.03567       7.103364  25.30863       2.452864  316.7018 49.28349 327.3481 15.92921 -10.64636      51.79384 
1 1 1 9   25 10 o 100.3164 32.05184 2.361820       1.707994  2.887932       6.450638  2.322155       1.771210  148.1146 59.84892 100.1789 32.69614 47.93573       68.19773 
1 1 1 9   25 11 o 231.9628 11.14156 12.68352       1.215720  8.522593       6.640784  12.82781       1.236619  187.7156 63.37106 233.2725 11.26946 -45.55690      64.36530 
1 1 1 9   25 12 o 303.3759 10.37350 21.69051       1.480388  20.43698       7.359755  21.74337       1.511277  281.8266 57.46349 303.7333 10.57748 -21.90674      58.42889 
1 1 1 9   25 13 o 256.8484 17.10105 15.67219       2.054372  0.000000       0.000000  15.67219       2.054372  ?        ?        256.8484 17.10105 0.000000       17.10105 
1 1 1 9   25 14 o 660.2791 16.11556 103.0810       5.005441  85.67183       10.89058  107.7435       5.635997  593.1454 39.25388 674.6674 17.75872 -81.52197      43.08410 
1 1 1 9   25 15 o 237.3269 17.97550 13.41397       1.991875  16.30375       2.605090  9.346678       3.090600  261.1570 21.39338 194.0152 35.15856 67.14185       41.15581 
1 1 1 9   25 16 o 634.4722 14.60642 95.14363       4.359391  99.58384       5.815267  89.44710       6.586785  647.9981 19.07773 613.0365 22.84114 34.96161       29.76034 
1 1 1 9   25 17 o 352.3021 28.05171 29.93460       4.610314  0.000000       0.000000  29.93460       4.610314  ?        ?        352.3021 28.05171 0.000000       28.05171 
1 1 1 9   25 18 o 84.87411 33.49385 1.028496       1.972801  0.8766479      2.460610  1.301764       3.300897  90.43980 36.81160 105.1303 42.69598 -14.69051      56.37411 
1 1 1 9   25 19 o 207.7560 25.05109 10.47894       2.398827  9.470869       3.304818  11.60151       3.487453  193.7130 37.62377 215.5808 35.63476 -21.86777      51.82069 
1 1 1 9   25 20 o 153.3664 40.36789 6.032629       2.952031  7.206690       3.342810  1.873365       6.291794  167.0965 42.44531 137.2231 57.62331 29.87332       71.56850 
1 1 1 9   25 21 o 304.7897 19.06380 22.21976       2.719511  18.59533       3.831517  25.89939       3.860586  275.2328 30.08373 327.1630 25.28149 -51.93027      39.29612 
1 1 1 9   25 22 o 270.1398 59.06021 20.13972       7.295740  20.13972       7.295740  0.000000       0.000000  270.1398 59.06021 ?        ?        0.000000       59.06021 
1 1 1 9   25 23 o 221.2456 45.27887 12.95010       4.553633  15.78775       6.513796  10.23781       6.368289  236.8195 58.75373 190.8553 61.98302 45.96423       85.40431 
1 1 1 9   25 24 o 120.0245 49.16282 2.175724       4.423755  4.714626       6.244442  -0.3822830     6.267892  148.7415 59.30618 121.7235 54.20985 27.01804       80.34881 
1 1 1 9   27 0  o 337.3910 13.23352 26.84953       2.100285  29.42641       2.789382  23.47594       3.191586  352.9052 16.80276 313.9968 21.74167 38.90839       27.47786 
1 1 1 9   27 1  o 288.7747 16.94446 19.77139       2.291658  19.04535       3.350715  20.40947       3.141207  281.9610 25.53985 292.4438 23.02026 -10.48276      34.38338 
1 1 1 9   27 2  o 211.4319 28.01620 10.82572       2.717811  7.624639       3.869709  13.94174       3.817943  173.9895 46.42122 238.7317 35.04058 -64.74219      58.16160 
1 1 1 9   27 3  o 182.3952 20.94323 7.981557       1.764321  10.34780       5.877639  7.747233       1.849618  201.7041 58.51789 179.4028 22.40563 22.30130       62.66063 
1 1 1 9   27 4  o 525.8375 11.30338 65.17021       2.795948  81.53984       8.869779  63.36419       2.946149  582.9299 32.47545 518.4232 12.08094 64.50671       34.64974 
1 1 1 9   27 5  o 725.3632 11.44782 124.0197       3.906138  122.8300       10.68973  124.2030       4.196329  716.7241 31.70628 725.7792 12.29124 -9.055115      34.00533 
1 1 1 9   27 6  o 429.8965 11.11269 43.55777       2.247256  0.000000       0.000000  43.55777       2.247256  ?        ?        429.8965 11.11269 0.000000       11.11269 
1 1 1 9   27 7  o 490.2880 26.02397 57.34681       5.980481  62.51487       9.160437  53.50773       7.895246  507.7616 38.64196 470.5242 35.94283 37.23740       52.77393 
1 1 1 9   27 8  f 152.9010 50.48102 5.551153       4.217662  6.646850       6.456235  4.735435       5.570626  173.0510 62.22036 153.7981 57.37750 19.25287       84.63776 
1 1 1 9   27 9  o 300.4158 50.16930 22.69620       6.839708  22.69620       6.839708  0.000000       0.000000  300.4158 50.16930 ?        ?        0.000000       50.16930 
1 1 1 9   27 10 o 301.6917 36.24229 22.21834       5.040447  23.21641       6.933809  21.09988       7.340065  303.6546 50.30349 286.8807 56.40177 16.77390       75.57513 
1 1 1 9   27 11 o 341.8177 33.29656 28.31679       5.285842  27.14031       7.482565  29.48871       7.468075  328.6715 49.97115 343.8879 47.42809 -15.21637      68.89514 
1 1 1 9   27 12 o 263.4883 42.94125 17.32337       5.139043  9.292510       7.481503  24.49762       7.071247  195.1543 67.23782 311.6492 49.91981 -116.4949      83.74313 
1 1 1 9   27 13 o 377.2429 32.46779 34.46202       5.705467  39.03092       8.274579  30.32105       7.877551  396.5731 45.16158 347.0542 49.66957 49.51892       67.13148 
1 1 1 9   27 14 o 329.2901 14.49199 25.62553       2.244791  20.52913       7.211596  26.17231       2.362143  281.1979 56.48037 332.7175 15.09250 -51.51959      58.46209 
1 1 1 9   27 15 o 245.8947 13.97502 14.33468       1.609809  20.18728       6.941023  14.00198       1.654933  278.8825 54.86385 242.9345 14.54874 35.94803       56.76009 
1 1 1 9   27 16 o 137.2899 50.49934 3.993919       4.286622  3.130202       6.185754  4.791915       5.945762  145.1300 58.61975 154.3407 58.89835 -9.210724      83.09808 
1 1 1 9   27 17 o 259.8432 38.84849 16.88019       4.602727  16.20095       6.575556  17.53270       6.444889  246.5747 57.71215 258.0595 54.78562 -11.48485      79.57485 
1 1 1 9   27 18 o 229.5555 45.01500 13.56458       4.687163  17.50297       6.789845  9.979193       6.478415  255.3847 57.85933 193.8738 62.47349 61.51086       85.15068 
1 1 1 9   27 19 o 96.91796 43.00124 -0.8904201     3.907404  0.8938764      5.626990  -2.552022      5.430078  125.6319 53.69274 106.8558 48.74265 18.77605       72.51728 
1 1 1 9   27 20 o 111.3909 46.25916 1.280416       3.989197  -1.689953      5.753215  4.030916       5.536194  113.4514 51.11781 143.4869 56.27236 -30.03550      76.02374 
1 1 1 9   27 21 o 212.9934 63.17385 12.91914       6.784474  12.91914       6.784474  0.000000       0.000000  212.9934 63.17385 ?        ?        0.000000       63.17385 
1 1 1 9   29 0  o 184.7341 19.60393 8.170048       1.677535  6.906228       2.118381  10.29537       2.747097  168.0874 27.76084 205.7230 29.20728 -37.63565      40.29553 
1 1 1 9   29 1  o 419.7607 13.90845 41.58331       2.746313  43.96730       4.254439  39.88028       3.595846  430.6917 20.99938 410.5238 18.62059 20.16788       28.06600 
1 1 1 9   29 2  o 111.0450 35.72724 2.898927       2.119358  -1.207662      3.478828  5.322593       2.672568  90.61517 40.36873 145.9189 38.41057 -55.30378      55.72258 
1 1 1 9   29 3  o 384.4643 12.70214 34.86516       2.297217  23.87931       6.907614  36.23127       2.435864  308.7474 49.21376 391.8781 13.21395 -83.13077      50.95687 
1 1 1 9   29 4  o 125.9787 35.34265 3.924268       2.179560  7.413794       6.240846  3.439529       2.326023  177.6888 61.39941 119.6721 37.29707 58.01674       71.83982 
1 1 1 9   29 5  o 231.6341 14.04287 12.71085       1.522901  19.17955       6.751320  12.36406       1.563189  274.1223 54.27741 228.3703 14.62823 45.75200       56.21407 
1 1 1 9   29 6  o 397.3493 27.33734 37.82043       5.078642  38.31748       7.633478  37.42569       6.802672  395.3259 41.67658 392.2269 37.31987 3.098999       55.94381 
1 1 1 9   29 7  o 270.7327 36.20441 17.95652       4.495268  20.75505       6.933853  15.92747       5.904117  285.3432 53.62683 249.7525 51.94719 35.59071       74.66155 
1 1 1 9   29 8  o 363.1652 46.47733 32.78835       7.757746  32.78835       7.757746  0.000000       0.000000  363.1652 46.47733 ?        ?        0.000000       46.47733 
1 1 1 9   29 9  f 204.9573 46.20419 10.68639       4.348181  16.67360       6.524949  5.903687       5.831784  253.7901 56.14338 163.3983 59.08309 90.39185       81.50393 
1 1 1 9   29 10 o 346.7877 31.03279 29.08228       5.008856  24.39358       7.061997  33.82878       7.105386  310.5554 50.04188 370.4486 41.48693 -59.89325      65.00273 
1 1 1 9   29 11 o 175.3883 49.15430 7.857345       4.218167  14.75922       6.504274  2.847503       5.541501  237.1033 58.64259 139.1392 55.73465 97.96416       80.90306 
1 1 1 9   29 12 o 220.7893 56.40176 12.77943       5.879109  0.000000       0.000000  12.77943       5.879109  ?        ?        220.7893 56.40176 0.000000       56.40176 
1 1 1 9   29 13 o 412.9469 27.32541 41.03438       5.277990  34.75030       7.377754  47.62188       7.553767  373.7430 42.73259 441.1186 36.73718 -67.37558      56.35330 
1 1 1 9   29 14 o 292.6431 35.17458 21.08484       4.745131  18.62069       6.619782  23.68906       6.805320  266.7585 54.59310 304.3871 49.20737 -37.62857      73.49675 
1 1 1 9   29 15 o 470.7029 25.72177 53.27255       5.673742  49.58383       7.875361  57.25327       8.181136  448.5037 37.67714 482.9248 36.27856 -34.42114      52.30392 
1 1 1 9   29 16 o 130.3930 47.89401 3.653924       3.853769  5.178360       5.358849  2.021106       5.546076  152.3961 56.39021 131.9964 54.65763 20.39977       78.53224 
1 1 1 9   29 18 o 234.3242 42.28458 14.13315       4.489390  9.036861       6.288787  19.42925       6.410887  183.8695 61.67067 270.1731 52.33410 -86.30367      80.88342 
1 1 1 9   31 0  o 281.7289 21.81812 18.96221       2.868919  0.000000       0.000000  18.96221       2.868919  ?        ?        281.7289 21.81812 0.000000       21.81812 
1 1 1 9   31 1  o 141.5746 33.64123 5.012292       2.207327  4.078740       3.132148  5.933413       3.111222  131.5990 43.50503 153.5293 41.90679 -21.93022      60.40585 
1 1 1 9   31 2  o 341.0431 25.25800 27.86410       4.023264  27.15220       6.316089  28.35018       5.219088  331.6372 41.38795 341.9041 32.85504 -10.26685      52.84332 
1 1 1 9   31 3  o 371.6659 25.90217 33.09850       4.500228  27.05708       6.822060  37.75268       5.987805  329.5404 45.19938 395.0447 32.51057 -65.50424      55.67693 
1 1 1 9   31 4  o 351.5278 27.29955 29.69247       4.478829  26.62307       6.751703  32.10464       5.985357  326.7886 45.12546 363.0414 35.50249 -36.25278      57.41719 
1 1 1 9   31 5  o 484.7215 30.35227 56.56956       6.885856  0.000000       0.000000  56.56956       6.885856  ?        ?        484.7215 30.35227 0.000000       30.35227 
1 1 1 9   31 6  o 253.1598 34.43419 15.72896       3.994261  10.26457       5.492227  21.86385       5.819441  198.9929 56.20097 296.1770 43.02848 -97.18410      70.78136 
1 1 1 9   31 7  o 162.7923 47.69604 6.702314       3.887630  10.54994       5.666974  3.281808       5.343182  201.3363 57.16689 140.3768 55.20921 60.95958       79.47396 
1 1 1 9   31 8  o 397.5400 26.91708 37.97399       5.003928  40.27943       7.056530  35.64210       7.096888  405.5938 37.40694 380.1343 40.30296 25.45941       54.98735 
1 1 1 9   31 9  o 602.0955 22.65679 86.35025       6.417016  77.88348       8.776410  96.07610       9.406365  566.9281 33.05272 630.5193 31.81692 -63.59125      45.87808 
1 1 1 9   31 10 o 361.6288 26.87047 31.49835       4.538301  24.42925       6.232565  39.47682       6.621316  312.0832 43.64927 401.7852 35.39479 -89.70200      56.19653 
1 1 1 9   31 11 o 76.14763 37.24517 -8.052914      4.446256  0.000000       0.000000  -8.052914      4.446256  ?        ?        76.14763 37.24517 0.000000       37.24517 
1 1 1 9   31 12 o 121.7767 45.67005 2.945052       3.538322  -0.2060345     5.126646  5.811534       4.889650  115.6333 50.34261 155.9121 54.32079 -40.27879      74.06165 
1 1 1 9   31 13 o 76.14156 36.09667 -3.875936      3.465963  -2.224733      5.014452  -5.386445      4.796063  104.0731 47.22769 88.73965 42.18356 15.33342       63.32383 
1 1 1 9   31 14 o 284.1276 32.02478 19.85736       4.205595  17.10167       5.836694  22.83294       6.065100  255.4822 50.35689 299.2708 44.43180 -43.78859      67.15654 
1 1 1 9   33 3  o 258.8868 50.39062 17.27705       5.915828  17.27705       5.915828  0.000000       0.000000  258.8868 50.39062 ?        ?        0.000000       50.39062 
1 1 1 9   33 4  o 174.5973 43.77156 7.813115       3.588220  3.305589       5.354912  11.48633       4.833995  139.9008 55.19078 210.3722 49.64779 -70.47141      74.23560 
1 1 1 9   33 5  o 269.1880 31.98848 17.73576       3.971299  17.02140       5.706499  18.40666       5.530180  257.2753 48.94058 269.3462 45.25220 -12.07086      66.65540 
1 1 1 9   33 6  o 532.2421 21.83726 67.50603       5.467347  61.32581       7.658346  73.92986       7.807813  502.3459 32.58466 552.9954 30.12864 -50.64951      44.37899 
1 1 1 9   33 7  o 270.1991 45.66658 18.59691       5.597469  18.59691       5.597469  0.000000       0.000000  270.1991 45.66658 ?        ?        0.000000       45.66658 
1 1 1 10  0  0  o 148.6299 28.29544 5.733019       1.769982  5.733019       1.769982  5.733019       1.769982  148.6299 28.29544 148.6299 28.29544 0.000000       0.000000 
1 1 1 10  0  1  o 1694.536 23.89047 676.5130       19.03489  676.5130       19.03489  676.5130       19.03489  1694.536 23.89047 1694.536 23.89047 0.000000       0.000000 
1 1 1 10  0  2  o 602.0433 14.95203 85.44473       4.228552  85.44473       4.228552  85.44473       4.228552  602.0433 14.95203 602.0433 14.95203 0.000000       0.000000 
1 1 1 10  0  3  o 524.2912 15.52298 64.85309       3.820803  64.85309       3.820803  64.85309       3.820803  524.2912 15.52298 524.2912 15.52298 0.000000       0.000000 
1 1 1 10  0  4  o 89.20398 45.20264 2.756363       2.364286  2.756363       2.364286  2.756363       2.364286  89.20398 45.20264 89.20398 45.20264 0.000000       0.000000 
1 1 1 10  0  5  o 758.3494 16.56333 135.5383       5.902262  135.5383       5.902262  135.5383       5.902262  758.3494 16.56333 758.3494 16.56333 0.000000       0.000000 
1 1 1 10  0  6  o 720.8769 16.96257 122.5142       5.744852  122.5142       5.744852  122.5142       5.744852  720.8769 16.96257 720.8769 16.96257 0.000000       0.000000 
1 1 1 10  0  7  o 1347.454 21.56361 427.9427       13.66010  427.9427       13.66010  427.9427       13.66010  1347.454 21.56361 1347.454 21.56361 0.000000       0.000000 
1 1 1 10  0  8  o 54.64328 37.32574 -1.862299      3.002366  -1.862299      3.002366  -1.862299      3.002366  54.64328 37.32574 54.64328 37.32574 0.000000       0.000000 
1 1 1 10  0  9  o 839.8590 18.68191 166.4097       7.372444  166.4097       7.372444  166.4097       7.372444  839.8590 18.68191 839.8590 18.68191 0.000000       0.000000 
1 1 1 10  0  10 o 564.5365 20.11308 75.38427       5.325835  75.38427       5.325835  75.38427       5.325835  564.5365 20.11308 564.5365 20.11308 0.000000       0.000000 
1 1 1 10  0  11 o 227.7873 40.30553 13.35447       3.915364  13.35447       3.915364  13.35447       3.915364  227.7873 40.30553 227.7873 40.30553 0.000000       0.000000 
1 1 1 10  0  12 o 997.4501 20.68408 234.5967       9.695610  234.5967       9.695610  234.5967       9.695610  997.4501 20.68408 997.4501 20.68408 0.000000       0.000000 
1 1 1 10  0  13 o 1276.841 22.70997 384.2762       13.63053  384.2762       13.63053  384.2762       13.63053  1276.841 22.70997 1276.841 22.70997 0.000000       0.000000 
1 1 1 10  0  14 o 1074.647 21.82884 272.2320       11.02456  272.2320       11.02456  272.2320       11.02456  1074.647 21.82884 1074.647 21.82884 0.000000       0.000000 
1 1 1 10  0  15 o 1814.445 28.09122 776.1622       23.96343  776.1622       23.96343  776.1622       23.96343  1814.445 28.09122 1814.445 28.09122 0.000000       0.000000 
1 1 1 10  0  16 o 1667.369 26.88960 655.4626       21.07805  655.4626       21.07805  655.4626       21.07805  1667.369 26.88960 1667.369 26.88960 0.000000       0.000000 
1 1 1 10  0  17 o 1262.016 24.12349 375.5575       14.30922  375.5575       14.30922  375.5575       14.30922  1262.016 24.12349 1262.016 24.12349 0.000000       0.000000 
1 1 1 10  0  18 o 272.8602 44.72263 18.94700       5.276988  18.94700       5.276988  18.94700       5.276988  272.8602 44.72263 272.8602 44.72263 0.000000       0.000000 
1 1 1 10  0  19 o 244.6215 57.04087 16.28069       5.706785  16.28069       5.706785  16.28069       5.706785  244.6215 57.04087 244.6215 57.04087 0.000000       0.000000 
1 1 1 10  0  20 o 795.7862 24.53706 149.7149       9.165422  149.7149       9.165422  149.7149       9.165422  795.7862 24.53706 795.7862 24.53706 0.000000       0.000000 
1 1 1 10  0  21 o 860.8711 36.35533 176.3080       14.66259  176.3080       14.66259  176.3080       14.66259  860.8711 36.35533 860.8711 36.35533 0.000000       0.000000 
1 1 1 10  0  22 o 512.5243 44.68265 63.88229       10.58430  63.88229       10.58430  63.88229       10.58430  512.5243 44.68265 512.5243 44.68265 0.000000       0.000000 
1 1 1 10  0  23 o 283.6643 49.22972 20.83425       5.976015  20.83425       5.976015  20.83425       5.976015  283.6643 49.22972 283.6643 49.22972 0.000000       0.000000 
1 1 1 10  0  24 o 120.5832 66.86451 4.968209       5.578075  4.968209       5.578075  4.968209       5.578075  120.5832 66.86451 120.5832 66.86451 0.000000       0.000000 
1 1 1 10  0  25 o 406.7356 53.54727 42.03330       9.751996  42.03330       9.751996  42.03330       9.751996  406.7356 53.54727 406.7356 53.54727 0.000000       0.000000 
1 1 1 10  0  26 o 421.3369 33.31339 43.15170       6.507696  43.15170       6.507696  43.15170       6.507696  421.3369 33.31339 421.3369 33.31339 0.000000       0.000000 
1 1 1 10  0  27 o 73.90022 49.66601 -1.652548      4.900064  -1.652548      4.900064  -1.652548      4.900064  73.90022 49.66601 73.90022 49.66601 0.000000       0.000000 
1 1 1 10  0  28 o 67.23412 47.89869 -8.739596      6.655363  -8.739596      6.655363  -8.739596      6.655363  67.23412 47.89869 67.23412 47.89869 0.000000       0.000000 
1 1 1 10  0  29 o 217.9477 64.54355 14.50073       5.755310  14.50073       5.755310  14.50073       5.755310  217.9477 64.54355 217.9477 64.54355 0.000000       0.000000 
1 1 1 10  0  30 f 171.0567 69.08002 10.31155       5.427797  10.31155       5.427797  10.31155       5.427797  171.0567 69.08002 171.0567 69.08002 0.000000       0.000000 
1 1 1 10  0  31 o 136.5031 76.78661 7.419739       7.484608  7.419739       7.484608  7.419739       7.484608  136.5031 76.78661 136.5031 76.78661 0.000000       0.000000 
1 1 1 10  0  32 o 71.75814 48.73328 -1.927462      4.964303  -1.927462      4.964303  -1.927462      4.964303  71.75814 48.73328 71.75814 48.73328 0.000000       0.000000 
1 1 1 10  0  33 o 142.5647 64.65311 7.793370       4.680887  7.793370       4.680887  7.793370       4.680887  142.5647 64.65311 142.5647 64.65311 0.000000       0.000000 
1 1 1 10  0  34 o 94.89574 61.19975 1.764566       6.336294  1.764566       6.336294  1.764566       6.336294  94.89574 61.19975 94.89574 61.19975 0.000000       0.000000 
1 1 1 10  0  35 f 114.1577 67.46649 5.573722       6.228255  5.573722       6.228255  5.573722       6.228255  114.1577 67.46649 114.1577 67.46649 0.000000       0.000000 
1 1 1 10  2  0  o 1377.657 16.53828 446.8999       10.71768  463.1391       19.43912  439.8076       12.84667  1400.747 29.50174 1366.328 19.98786 34.41895       35.63520 
1 1 1 10  2  1  o 764.4576 10.59397 137.5138       3.809618  130.5058       5.173113  145.8179       5.631218  744.5618 14.77005 787.0088 15.21085 -42.44696      21.20198 
1 1 1 10  2  2  o 424.7029 10.96987 42.44493       2.191573  41.16855       3.079204  43.75528       3.119901  418.1608 15.65402 431.1053 15.38467 -12.94443      21.94849 
1 1 1 10  2  3  o 1313.493 14.21770 406.1299       8.784693  410.2826       12.54548  402.1349       12.30488  1319.618 20.21016 1306.470 20.02204 13.14795       28.44877 
1 1 1 10  2  4  o 490.4533 11.57918 56.60968       2.671437  58.02655       3.755944  55.15906       3.800415  496.4173 16.08433 483.9750 16.69317 12.44226       23.18118 
1 1 1 10  2  5  o 825.8834 12.00604 160.5355       4.664315  157.5414       6.465582  163.7846       6.735361  817.8798 16.80540 833.9042 17.17020 -16.02435      24.02576 
1 1 1 10  2  6  o 756.9683 12.02090 134.8724       4.280396  133.3834       6.042212  136.3725       6.064640  752.4890 17.06973 760.8825 16.94408 -8.393494      24.05156 
1 1 1 10  2  7  o 880.1334 14.49288 182.4353       6.000295  182.5803       10.24813  182.3596       7.401637  879.3705 24.77441 879.6478 17.88750 -0.2772827     30.55707 
1 1 1 10  2  8  o 633.4571 14.79388 94.54185       4.408275  93.53347       5.305761  96.78954       7.921414  629.8168 17.90870 639.7479 26.32234 -9.931152      31.83689 
1 1 1 10  2  9  o 977.0984 13.63427 224.9398       6.266707  231.1318       9.076554  219.2995       8.662840  989.5633 19.49881 963.9692 19.10415 25.59406       27.29784 
1 1 1 10  2  10 o 445.2639 15.27537 46.72943       3.199473  41.84419       4.516877  51.64882       4.532641  420.1745 22.93955 467.7115 20.60174 -47.53705      30.83268 
1 1 1 10  2  11 o 863.6931 16.09683 175.7900       6.539870  177.2374       8.125117  173.1272       11.02070  866.7975 19.92703 855.5698 27.38323 11.22772       33.86632 
1 1 1 10  2  12 o 849.6545 16.48667 170.0484       6.589382  177.0511       12.05667  167.0658       7.868512  865.5363 29.61236 841.8860 19.86872 23.65021       35.66031 
1 1 1 10  2  13 o 1732.473 18.85537 707.0695       15.36635  704.8481       21.69816  709.3046       21.76460  1728.373 26.68801 1733.829 26.68549 -5.455688      37.74076 
1 1 1 10  2  14 f 457.4458 17.96790 49.28265       3.866395  56.15900       5.682467  43.35495       5.275951  487.3916 24.86777 427.9257 26.33768 59.46594       36.22263 
1 1 1 10  2  15 o 1301.277 33.46350 400.1189       20.48379  0.000000       0.000000  400.1189       20.48379  ?        ?        1301.277 33.46350 0.000000       33.46350 
1 1 1 10  2  16 o 575.3918 20.18816 78.01225       5.464240  74.52744       6.641210  85.31511       9.613991  562.1117 25.11628 599.7321 34.22009 -37.62036      42.44810 
1 1 1 10  2  17 o 870.5399 16.13077 178.4768       6.605613  176.5313       9.371027  180.3982       9.312741  865.1985 23.02513 874.6622 22.63434 -9.463684      32.28730 
1 1 1 10  2  18 o 781.5149 18.94679 143.9445       6.965340  139.7791       8.513428  152.3781       12.11381  769.7029 23.51322 802.5647 32.08718 -32.86182      39.78012 
1 1 1 10  2  19 o 341.4190 25.07552 27.67550       3.999060  28.00263       5.976233  27.41025       5.381462  341.4243 37.84709 338.3915 34.28042 3.032806       51.06417 
1 1 1 10  2  20 o 1148.433 17.19450 310.9121       9.288911  324.0305       13.59026  299.4103       12.72536  1171.005 24.67173 1125.774 24.02978 45.23120       34.44016 
1 1 1 10  2  21 o 497.3403 20.51331 58.40650       4.799087  53.83504       6.767625  63.03051       6.806409  475.4133 30.42139 514.9967 28.20318 -39.58340      41.48350 
1 1 1 10  2  22 o 263.3344 32.95724 16.76697       3.993102  25.17151       5.993979  10.06078       5.354218  321.6391 40.51558 200.0559 55.12826 121.5832       68.41518 
1 1 1 10  2  23 o 748.9223 21.04991 132.7912       7.415773  138.9675       9.270959  121.8193       12.35668  764.8927 25.76646 711.5370 37.04577 53.35565       45.12538 
1 1 1 10  2  24 o 176.0361 46.46503 7.850263       3.904012  5.510552       5.432684  10.34875       5.613992  158.6370 57.07157 200.8514 56.85371 -42.21440      80.55749 
1 1 1 10  2  25 o 258.6196 33.41468 16.37463       3.970003  18.68613       5.656012  14.12986       5.573755  272.2591 45.78816 233.9129 52.00225 38.34622       69.28773 
1 1 1 10  2  26 o 365.0795 25.37461 32.05030       4.330612  30.58842       6.337704  33.33070       5.931296  351.4498 38.99259 368.9494 34.57877 -17.49963      52.11634 
1 1 1 10  2  27 o 565.6400 23.20866 76.59324       6.175319  82.75863       10.75890  73.56417       7.541231  577.0314 39.88157 550.8307 29.20850 26.20068       49.43356 
1 1 1 10  2  28 o 125.3636 50.18968 2.552009       4.491078  2.502665       5.580802  2.642688       7.565432  133.9094 55.07724 148.9563 62.90169 -15.04689      83.60696 
1 1 1 10  2  29 o 252.2244 39.21951 16.24716       4.502096  19.20946       5.488522  10.15458       7.871214  271.7986 44.46582 192.1278 68.74105 79.67085       81.86905 
1 1 1 10  2  30 o 162.7040 50.28535 7.111053       4.238145  5.710771       5.042236  10.48157       7.822822  151.5175 54.91497 192.1183 68.55150 -40.60077      87.83485 
1 1 1 10  2  31 o 110.2403 44.71381 1.873514       3.615288  7.867687       5.314544  -3.289616      4.932395  168.5739 56.69208 95.96964 44.71882 72.60424       72.20641 
1 1 1 10  2  32 o 191.2351 41.68760 9.837778       3.644281  10.14877       5.031947  9.494730       5.284939  187.4386 54.07699 180.5886 56.20930 6.849945       77.99876 
1 1 1 10  2  33 o 294.8599 32.97771 22.32430       4.495764  16.86980       7.779113  25.05974       5.508920  225.3202 67.83285 307.7232 38.92789 -82.40302      78.20918 
1 1 1 10  2  34 o 171.5534 53.32931 9.044506       4.758947  9.744352       6.891775  8.406659       6.579420  171.2677 63.83456 162.6160 61.98103 8.651718       88.97472 
1 1 1 10  2  35 o 262.2711 41.51833 19.42791       4.951673  22.01546       6.976729  16.80143       7.029008  258.5757 58.70004 215.7397 64.37397 42.83595       87.11890 
1 1 1 10  4  0  o 403.8612 12.18938 38.38681       2.315703  37.39596       4.235491  38.80928       2.765667  397.6535 22.73715 406.0240 14.48034 -8.370544      26.95660 
1 1 1 10  4  1  o 1009.922 13.81753 240.0895       6.564287  247.4138       11.99034  236.9547       7.844242  1024.263 24.88575 1003.122 16.62371 21.14099       29.92739 
1 1 1 10  4  2  o 363.7921 13.89120 31.15407       2.377181  26.30797       4.226925  33.39584       2.874908  332.7990 27.23925 376.5952 16.22856 -43.79611      31.70714 
1 1 1 10  4  3  o 835.3167 11.44709 164.2108       4.497958  164.0085       6.340262  164.4157       6.382092  834.5549 16.15039 835.5849 16.23690 -1.029968      22.90135 
1 1 1 10  4  4  o 1323.985 14.46496 412.7109       9.008861  395.1262       12.14576  434.2174       13.43204  1294.882 19.94000 1357.277 21.03798 -62.39551      28.98620 
1 1 1 10  4  5  o 116.0910 31.91759 3.285521       1.797157  1.593261       2.483062  5.147216       2.604405  99.43340 38.03414 144.7435 37.82940 -45.31013      53.64382 
1 1 1 10  4  6  o 1097.270 15.36195 283.5993       7.929196  292.3603       13.83352  279.3125       9.676542  1112.487 26.43435 1088.535 18.89769 23.95227       32.49458 
1 1 1 10  4  7  o 626.8058 12.43975 92.51621       3.667871  90.11244       5.094464  95.10323       5.285093  618.2512 17.51718 635.1264 17.68981 -16.87518      24.89540 
1 1 1 10  4  8  o 206.7504 28.34768 10.31139       2.684388  8.158009       3.217734  15.24078       4.868409  181.6415 38.83542 249.0861 43.11054 -67.44463      58.02335 
1 1 1 10  4  9  o 491.8304 21.57317 57.13875       4.991127  56.27230       7.207748  57.93699       6.918190  485.8788 31.70955 493.3929 29.94953 -7.514038      43.61731 
1 1 1 10  4  10 o 1329.857 18.03258 417.0370       11.28059  427.7483       14.27529  399.2271       18.40751  1345.845 22.54866 1298.139 30.14426 47.70630       37.64464 
1 1 1 10  4  11 o 781.5549 13.73300 143.8327       5.048872  150.1810       7.383800  138.2581       6.919190  798.1348 19.66683 765.8393 19.20650 32.29547       27.48952 
1 1 1 10  4  12 o 1151.829 15.16000 312.3831       8.214038  315.3116       11.69714  309.5340       11.53732  1156.581 21.49980 1145.947 21.40283 10.63416       30.33681 
1 1 1 10  4  13 o 1143.152 17.91930 307.7715       9.635942  309.1558       17.18510  307.1368       11.63749  1144.056 31.93268 1141.619 21.67048 2.437012       38.59153 
1 1 1 10  4  14 o 1533.977 20.26408 554.3639       14.62228  550.8324       24.87372  556.2288       18.07536  1526.663 34.63603 1535.891 25.01828 -9.227295      42.72667 
1 1 1 10  4  15 o 1238.088 16.44123 360.9408       9.575356  373.1728       13.90702  349.9150       13.20355  1258.146 23.49815 1218.364 23.03798 39.78259       32.90762 
1 1 1 10  4  16 o 1332.384 17.06797 418.1029       10.69746  427.5570       15.45847  409.4150       14.81877  1346.417 24.40718 1317.615 23.90861 28.80188       34.16624 
1 1 1 10  4  17 o 701.7637 23.37515 116.1566       7.716398  116.1566       7.716398  0.000000       0.000000  701.7637 23.37515 ?        ?        0.000000       23.37515 
1 1 1 10  4  18 o 1178.663 16.82156 327.2933       9.326635  336.1672       13.50709  319.2067       12.89397  1193.503 24.05853 1163.085 23.56709 30.41785       33.67818 
1 1 1 10  4  19 o 490.8715 19.65785 56.82150       4.539135  57.56199       6.492316  56.11341       6.348706  492.5942 28.13496 486.3769 27.86476 6.217316       39.59824 
1 1 1 10  4  20 o 1156.063 20.17884 315.3752       10.97355  293.4899       18.86209  326.5726       13.49183  1111.236 36.08395 1175.517 24.39902 -64.28149      43.55874 
1 1 1 10  4  21 o 282.1691 34.93544 19.23055       4.537964  15.14269       7.467257  21.62433       5.714203  244.3611 64.14755 297.8653 41.94338 -53.50423      76.64304 
1 1 1 10  4  22 o 469.0540 21.38199 52.04315       4.717808  56.64261       6.830225  47.84652       6.524262  487.1232 29.95277 447.2629 31.20536 39.86032       43.25440 
1 1 1 10  4  23 o 860.6665 17.70739 175.0808       7.169002  171.0575       9.973146  179.3824       10.31236  848.6672 24.98190 868.9897 25.22749 -20.32257      35.50382 
1 1 1 10  4  24 o 741.6042 18.35754 130.1975       6.404069  128.9825       8.929115  131.4845       9.189960  735.8191 25.79693 742.7349 26.30331 -6.915771      36.84217 
1 1 1 10  4  25 o 162.6176 47.80537 6.695544       3.899653  -1.567838      5.574594  14.61445       5.457164  114.4839 51.04456 238.3338 50.25829 -123.8499      71.63409 
1 1 1 10  4  26 o 459.2299 22.04042 50.28930       4.761231  48.58025       6.761395  51.97035       6.705746  446.7711 32.39235 462.8205 30.97991 -16.04944      44.82208 
1 1 1 10  4  27 o 250.2677 38.57302 15.77351       4.395166  9.170631       7.123917  19.83141       5.584743  187.8614 65.56071 278.6126 44.07880 -90.75121      79.00094 
1 1 1 10  4  28 f 313.6226 28.03954 24.01387       4.093009  30.70312       5.839704  17.55469       5.738404  351.0541 35.86659 258.0765 49.06197 92.97760       60.77408 
1 1 1 10  4  29 o 215.6894 38.13184 11.90899       3.727362  13.97087       5.223398  9.769732       5.320517  228.0546 50.06311 188.5715 55.94755 39.48312       75.07625 
1 1 1 10  4  30 o 200.9453 40.89153 10.56368       3.733788  10.68077       5.207510  10.43980       5.356384  195.8759 54.51628 193.2250 55.80661 2.650894       78.01540 
1 1 1 10  4  31 o 383.2515 24.71173 35.85011       4.431344  34.28796       6.220477  37.45975       6.314310  367.0572 36.51089 384.7199 35.28402 -17.66278      50.77407 
1 1 1 10  4  32 o 182.6122 54.81829 9.687593       5.085794  0.000000       0.000000  9.687593       5.085794  ?        ?        182.6122 54.81829 0.000000       54.81829 
1 1 1 10  4  33 o 148.2993 49.00703 6.198119       3.974618  7.806184       7.014745  5.437740       4.823644  163.2389 63.52855 142.5900 53.35350 20.64890       82.96067 
1 1 1 10  4  34 o 140.0096 47.00880 5.613050       3.654033  6.944115       6.026759  4.839327       4.594910  152.1540 58.97642 134.3281 51.65380 17.82594       78.39855 
1 1 1 10  4  35 o 161.4129 60.37973 9.063616       6.176931  9.063616       6.176931  0.000000       0.000000  161.4129 60.37973 ?        ?        0.000000       60.37973 
1 1 1 10  6  0  o 1144.911 15.21277 308.6669       8.193118  309.0414       10.15038  307.9667       13.87925  1145.248 18.84142 1142.356 25.82826 2.891724       31.97027 
1 1 1 10  6  1  o 1408.565 21.20241 467.7238       14.04855  472.6517       20.23617  463.1391       19.51855  1414.253 30.41809 1400.116 29.63564 14.13660       42.46801 
1 1 1 10  6  2  f 1295.162 16.37401 395.1000       9.975821  387.0393       17.34272  399.0860       12.19536  1279.974 28.80359 1301.234 19.92371 -21.25952      35.02287 
1 1 1 10  6  3  o 518.0659 13.07002 63.18754       3.185156  71.93817       6.318000  60.20564       3.688137  552.1152 24.32656 505.5939 15.50729 46.52133       28.84887 
1 1 1 10  6  4  o 235.7526 16.74818 13.16126       1.845264  11.19629       2.576768  15.22966       2.643713  216.2037 25.84879 253.0749 22.44005 -36.87119      34.23034 
1 1 1 10  6  5  o 869.5061 13.56124 178.0609       5.546786  181.6290       9.317564  176.1023       6.903279  877.1308 22.58233 864.3814 16.97777 12.74939       28.25254 
1 1 1 10  6  6  o 920.5070 12.51532 199.5570       5.419241  195.4602       7.524927  203.9713       7.811004  910.4260 17.57067 929.9971 17.85484 -19.57117      25.05042 
1 1 1 10  6  7  o 488.4610 13.01039 56.20401       2.989437  55.22227       4.158014  57.25444       4.301016  483.8147 18.26996 492.6125 18.56078 -8.797821      26.04408 
1 1 1 10  6  8  o 563.4758 12.97280 74.78774       3.438574  75.91284       4.932549  73.72404       4.796079  567.2679 18.48476 559.0522 18.23747 8.215698       25.96713 
1 1 1 10  6  9  o 675.1273 14.85722 107.3811       4.718376  107.5015       5.882874  107.1641       7.900126  675.1968 18.52209 673.4354 24.93841 1.761414       31.06432 
1 1 1 10  6  10 o 1289.220 17.97838 391.6665       10.90303  399.3810       13.45794  376.9323       18.59904  1301.245 21.98620 1262.309 31.32243 38.93616       38.26863 
1 1 1 10  6  11 o 2265.126 22.65443 1209.648       24.13875  1260.073       35.72587  1167.291       32.74347  2308.812 32.89463 2222.706 31.31651 86.10620       45.41785 
1 1 1 10  6  12 o 429.4873 17.09580 43.43715       3.453894  45.53614       5.028868  41.56293       4.751973  438.7885 24.46114 419.1729 24.20265 19.61560       34.41099 
1 1 1 10  6  13 o 812.2396 16.43339 155.3349       6.278858  156.0345       10.51941  154.9476       7.825796  813.2903 27.49645 810.9863 20.51378 2.304016       34.30554 
1 1 1 10  6  14 o 414.0256 22.37008 40.51632       4.340595  42.89537       8.620108  39.70820       5.024010  423.1848 43.94326 409.4848 26.21987 13.70007       51.17120 
1 1 1 10  6  15 o 1574.745 18.33250 584.1176       13.58004  583.9832       19.16509  584.2532       19.24533  1573.410 25.89403 1573.755 25.99674 -0.3454590     36.69239 
1 1 1 10  6  16 o 789.3843 16.04890 146.7435       5.959406  147.4398       8.434737  146.0495       8.421025  790.7632 22.67544 787.0200 22.74626 3.743225       32.11803 
1 1 1 10  6  17 o 352.3964 23.79453 29.43051       3.921267  23.56056       5.382010  36.07218       5.724875  313.1564 37.26723 389.3111 31.53163 -76.15472      48.81690 
1 1 1 10  6  18 o 744.8387 16.82042 130.7160       5.893434  136.6676       8.438792  125.0495       8.234123  760.9616 23.57481 727.8473 24.04959 33.11432       33.67722 
1 1 1 10  6  19 o 371.6762 23.45882 32.74977       4.080433  33.19452       5.854126  32.32953       5.690557  372.6426 33.76308 367.8055 33.24976 4.837097       47.38662 
1 1 1 10  6  20 o 713.3721 19.61168 120.0983       6.581127  129.1320       11.30012  115.4615       8.095798  737.5344 32.57104 698.7866 24.62895 38.74774       40.83452 
1 1 1 10  6  21 o 439.3744 26.23835 45.90643       5.398244  35.96909       10.19956  49.77323       6.362417  379.9503 58.97926 456.8724 29.76708 -76.92203      66.06536 
1 1 1 10  6  22 o 350.5221 26.53285 29.33805       4.342488  33.84230       6.434402  25.57048       5.884752  374.1002 37.05096 324.0684 39.41471 50.03183       54.09522 
1 1 1 10  6  23 o 375.9410 28.15577 33.86856       4.943004  34.99344       6.229277  31.95601       8.122524  380.2189 35.22873 358.2845 49.51765 21.93436       60.77056 
1 1 1 10  6  24 o 600.8713 22.56231 85.81149       6.377262  84.70482       7.730584  88.16885       11.28277  595.4483 27.59936 601.1380 40.13056 -5.689697      48.70509 
1 1 1 10  6  25 o 281.6858 30.30982 19.29446       3.953009  21.16714       5.571647  17.39636       5.609342  291.0990 41.89558 261.3033 47.37970 29.79572       63.24615 
1 1 1 10  6  26 o 277.3856 35.52390 19.04808       4.528764  23.50179       7.580156  16.57592       5.647499  298.6721 56.01048 252.8584 49.25081 45.81364       74.58429 
1 1 1 10  6  27 o 361.7454 29.79517 31.93044       5.025024  40.90369       9.728169  28.66492       5.868567  394.9685 53.75645 339.1228 37.41063 55.84570       65.49284 
1 1 1 10  6  28 o 271.4050 31.87497 18.23689       3.991984  18.28623       5.549543  18.18397       5.746651  264.8853 46.21910 263.0422 48.21999 1.843140       66.79351 
1 1 1 10  6  29 o 339.1335 30.92029 28.38815       4.878468  29.32924       5.947878  26.45363       8.527708  340.9439 37.71777 307.6797 61.07499 33.26428       71.78290 
1 1 1 10  6  30 o 109.6288 46.94544 0.7010444      4.316857  5.492916       5.117143  -11.12664      8.039420  149.6985 55.15813 104.6590 50.94781 45.03944       75.08727 
1 1 1 10  6  31 o 109.9963 44.66064 1.880719       3.610668  0.3503796      5.095773  3.423717       5.116803  114.1732 49.93540 132.9160 53.44510 -18.74281      73.14317 
1 1 1 10  6  32 o 99.96404 43.16157 0.4913542      3.706487  8.602855       6.538587  -3.349275      4.499192  171.4150 62.47218 89.65007 42.07671 81.76494       75.32079 
1 1 1 10  6  33 o 235.7270 47.22368 15.69806       5.053962  0.000000       0.000000  15.69806       5.053962  ?        ?        235.7270 47.22368 0.000000       47.22368 
1 1 1 10  6  34 o 180.5052 50.32260 9.877206       4.433252  2.847800       6.037722  18.10048       6.530346  127.2459 55.01398 237.2712 58.80580 -110.0253      80.52739 
1 1 1 10  6  35 o 191.9457 48.73526 11.38737       4.408372  19.71463       6.638542  4.818669       5.896054  241.7921 58.90850 133.2522 55.85973 108.5399       81.18202 
1 1 1 10  8  0  o 791.5139 13.23453 147.5514       4.927611  155.5690       6.330570  135.2259       7.849149  812.4230 16.56499 756.8272 22.04736 55.59583       27.57689 
1 1 1 10  8  1  o 606.0972 15.05134 86.55598       4.291279  0.000000       0.000000  86.55598       4.291279  ?        ?        606.0972 15.05134 0.000000       15.05134 
1 1 1 10  8  2  o 133.4438 34.26336 4.388367       2.161877  -0.3275862     3.598778  7.051130       2.704186  98.70077 42.57314 169.2280 35.12020 -70.52726      55.18968 
1 1 1 10  8  3  o 597.0687 13.09524 83.97016       3.677960  93.43045       7.344014  80.80307       4.249241  628.6094 24.83610 585.5342 15.42730 43.07526       29.23753 
1 1 1 10  8  4  o 371.4983 17.99831 32.55341       3.145270  0.000000       0.000000  32.55341       3.145270  ?        ?        371.4983 17.99831 0.000000       17.99831 
1 1 1 10  8  5  o 805.8338 11.93917 152.9257       4.525733  152.5179       6.427135  153.3269       6.373902  804.2367 16.98886 806.3893 16.80317 -2.152649      23.89494 
1 1 1 10  8  6  o 1206.418 14.05977 342.8860       7.978943  340.1524       11.18413  345.7194       11.38645  1200.628 19.80271 1210.374 19.99859 -9.745850      28.14411 
1 1 1 10  8  7  o 595.7704 12.40802 83.57751       3.477370  83.61464       4.880410  83.53924       4.955947  595.5753 17.42009 595.2853 17.69832 0.2899780      24.83325 
1 1 1 10  8  8  o 451.2235 14.39369 47.94802       3.055155  49.09043       4.325891  46.81113       4.315413  456.2911 20.15414 445.5482 20.59010 10.74289       28.81217 
1 1 1 10  8  9  o 442.6344 14.73261 46.13066       3.067569  42.79956       4.235907  49.80413       4.448275  426.1152 21.13246 459.6897 20.57110 -33.57449      29.49154 
1 1 1 10  8  10 o 963.8506 13.85942 218.6803       6.283824  214.5428       8.680206  223.2363       9.108602  954.3244 19.33591 973.4227 19.89211 -19.09827      27.74119 
1 1 1 10  8  11 o 757.4448 16.40829 135.0807       5.846334  142.5537       7.129382  119.7384       10.21523  777.9489 19.48191 712.2258 30.49028 65.72314       36.18290 
1 1 1 10  8  12 o 891.1132 14.39540 186.9163       6.034285  191.3185       8.646852  182.7371       8.425008  901.1884 20.39732 880.7496 20.33521 20.43878       28.80228 
1 1 1 10  8  13 o 601.8069 15.30351 85.26189       4.332291  84.46934       6.176610  86.02939       6.078146  598.7120 21.93122 604.2438 21.38404 -5.531738      30.63096 
1 1 1 10  8  14 f 421.6685 18.49676 41.88097       3.668902  41.92902       5.196835  41.83323       5.180428  420.7719 26.38922 420.2950 26.33545 0.4769592      37.28199 
1 1 1 10  8  15 o 1299.691 16.89277 397.8329       10.32786  390.1449       14.38620  406.0090       14.83576  1286.227 23.77711 1312.079 24.03701 -25.85168      33.81018 
1 1 1 10  8  16 o 963.5696 17.97465 218.7457       8.147283  228.1160       10.48832  204.4887       12.93727  983.5009 22.67055 930.3016 29.56306 53.19928       37.25492 
1 1 1 10  8  17 o 449.8760 19.74592 47.71194       4.178683  50.13406       5.972537  45.38937       5.848517  459.8122 27.74263 437.3174 28.58750 22.49484       39.83590 
1 1 1 10  8  18 o 1189.809 17.00273 333.6219       9.516235  364.4655       14.42923  309.8795       12.65970  1242.230 24.69289 1145.661 23.49080 96.56885       34.08162 
1 1 1 10  8  19 o 132.9530 47.69121 3.609405       3.790970  -5.743164      6.066802  9.600588       4.855686  105.4499 49.28986 196.3793 51.81273 -90.92937      71.51258 
1 1 1 10  8  20 o 240.6424 34.23861 14.04560       3.766467  18.00765       5.660583  10.89781       5.045498  270.2788 46.18118 208.4612 51.70430 61.81766       69.32558 
1 1 1 10  8  21 o 148.9406 46.75809 5.323825       3.648301  5.155784       5.274863  5.477927       5.051345  156.3275 56.23693 157.6285 55.19512 -1.300964      78.79781 
1 1 1 10  8  22 o 773.3630 19.89866 141.5280       7.238966  142.5240       9.092496  139.8038       11.96320  774.7396 24.94929 764.4971 33.26612 10.24243       41.58246 
1 1 1 10  8  23 o 325.3930 26.67985 25.39643       4.047848  18.68530       5.529773  33.14390       5.941409  273.7209 44.47334 369.7800 34.55738 -96.05905      56.32132 
1 1 1 10  8  24 o 388.2257 24.04416 36.04351       4.369390  41.50952       6.415799  31.31536       5.967074  413.7397 33.24581 358.0818 35.90879 55.65793       48.93593 
1 1 1 10  8  25 f 620.8181 38.76363 94.64924       11.26368  0.000000       0.000000  94.64924       11.26368  ?        ?        620.8181 38.76363 0.000000       38.76363 
1 1 1 10  8  26 o 272.4748 30.99819 18.20446       3.902402  13.74986       5.661377  22.23705       5.386536  227.4788 53.75835 298.0140 39.38936 -70.53519      66.64445 
1 1 1 10  8  27 o 205.9775 39.53904 10.84526       3.691728  8.908208       5.227316  12.77282       5.214490  182.5933 55.74803 218.8271 51.51215 -36.23372      75.90352 
1 1 1 10  8  28 f 165.6871 57.29171 7.063216       5.434187  -2.271403      7.887058  15.49941       7.497905  130.0426 59.09623 232.8534 65.63145 -102.8107      88.31676 
1 1 1 10  8  29 o 270.0753 33.07753 18.22259       4.114463  21.24988       5.734515  15.01070       5.906767  285.9144 44.05218 233.5011 54.72992 52.41331       70.25638 
1 1 1 10  8  30 o 157.6213 47.81336 6.672790       3.854267  8.370898       5.395291  4.903012       5.507967  173.8770 57.08023 146.6230 56.50665 27.25391       80.31908 
1 1 1 10  8  31 o 216.2494 52.98203 13.24331       5.347188  11.13258       7.187784  15.85910       8.001648  192.0446 65.91969 224.4777 69.04776 -32.43315      95.46202 
1 1 1 10  8  32 o 163.4362 47.05822 7.496338       3.813920  0.2645660      6.169848  11.96864       4.851966  120.5890 53.73851 204.4288 50.70227 -83.83985      73.88199 
1 1 1 10  8  33 o 96.51023 40.88892 0.9694098      3.213742  -5.457789      5.270476  4.773523       4.054766  89.31392 42.92996 133.7553 49.12740 -44.44139      65.24173 
1 1 1 10  8  34 f 130.3024 47.84132 4.725306       3.844739  4.557076       5.329636  4.907848       5.551727  133.1255 54.18023 136.0551 55.32659 -2.929581      77.43726 
1 1 1 10  10 0  o 1022.273 11.90834 246.0772       5.726475  263.4072       8.890265  233.7883       7.486400  1056.896 17.88187 995.9624 15.97941 60.93372       23.98131 
1 1 1 10  10 1  o 1269.052 16.45386 379.6044       9.822380  385.5547       12.25317  368.9061       16.42993  1278.228 20.37844 1248.512 27.97525 29.71619       34.61062 
1 1 1 10  10 2  o 233.5856 19.26865 12.95675       2.098327  20.96017       4.636778  10.89560       2.353059  295.3124 33.99905 213.4543 23.84198 81.85812       41.52560 
1 1 1 10  10 3  o 760.2911 13.04436 136.1245       4.665220  0.000000       0.000000  136.1245       4.665220  ?        ?        760.2911 13.04436 0.000000       13.04436 
1 1 1 10  10 4  o 233.6525 21.66085 12.99000       2.353684  18.69798       5.319796  11.60069       2.624541  277.2933 42.10745 220.1085 25.83976 57.18483       49.40376 
1 1 1 10  10 5  o 851.1149 14.41208 170.5856       5.770110  178.3888       11.11528  167.7071       6.751000  869.0168 27.19087 843.7023 17.01021 25.31445       32.07321 
1 1 1 10  10 6  o 997.1351 15.47301 234.1368       7.257687  232.4614       13.31143  234.8455       8.657712  992.1324 28.52238 998.3915 18.43457 -6.259094      33.96115 
1 1 1 10  10 7  o 1909.001 19.33641 858.5411       17.36406  887.0763       25.39110  833.4719       23.79911  1938.769 27.84109 1879.485 26.91861 59.28394       38.72644 
1 1 1 10  10 8  o 729.7469 14.14487 125.3508       4.855574  124.9108       7.527280  125.6643       6.354392  728.0588 21.97871 730.4544 18.49318 -2.395630      28.72388 
1 1 1 10  10 9  o 1543.199 19.31519 560.8988       14.02136  559.8066       17.25731  563.0203       24.05129  1541.143 23.80460 1544.045 33.11381 -2.902222      40.78214 
1 1 1 10  10 10 o 827.8739 13.60654 161.3098       5.298844  159.5109       7.360211  163.2455       7.634719  822.9803 19.01216 832.5305 19.49502 -9.550171      27.23083 
1 1 1 10  10 11 o 788.5602 13.89714 146.3594       5.155010  150.8729       7.388111  142.0773       7.196246  800.3414 19.62406 776.6580 19.69731 23.68347       27.80445 
1 1 1 10  10 12 o 455.4799 18.43597 48.86082       3.950067  47.88942       5.807413  49.69715       5.388550  449.7171 27.58525 458.4197 25.08355 -8.702576      37.28445 
1 1 1 10  10 13 o 1059.587 15.17935 264.3259       7.565877  261.6991       10.63320  267.0194       10.76760  1053.793 21.45060 1064.446 21.50434 -10.65259      30.37375 
1 1 1 10  10 14 o 874.6557 15.10622 180.1259       6.215300  175.9818       8.664167  184.5193       8.920981  864.0797 21.31590 884.7811 21.43421 -20.70142      30.22901 
1 1 1 10  10 15 o 452.2273 21.05455 48.21125       4.478907  46.91440       5.842664  50.05946       6.974956  444.8358 28.06559 458.9547 32.51795 -14.11887      42.95456 
1 1 1 10  10 16 o 1213.546 16.60054 346.9362       9.476495  347.7593       13.51855  346.1409       13.28800  1213.977 23.67284 1211.207 23.32233 2.770142       33.23153 
1 1 1 10  10 17 o 1246.283 16.83536 366.0147       9.869804  363.8766       13.89157  368.1942       14.02542  1241.464 23.78745 1248.790 23.87576 -7.326172      33.70304 
1 1 1 10  10 18 f 1156.760 16.68730 315.4171       9.080268  310.5164       12.73843  320.4796       12.94699  1146.471 23.62019 1164.716 23.63086 -18.24512      33.41154 
1 1 1 10  10 19 o 568.3853 21.98690 76.33842       5.878630  82.72427       7.142700  62.93104       10.34964  591.1817 25.68456 510.8853 43.47931 80.29645       50.49898 
1 1 1 10  10 20 o 248.5599 32.72227 14.95893       3.732993  13.15499       5.258052  16.79225       5.300706  228.8806 50.21669 260.6730 44.84550 -31.79240      67.32633 
1 1 1 10  10 21 o 634.1473 17.86709 95.02243       5.329830  101.9881       7.856745  89.08409       7.254285  655.4189 25.48322 612.6232 25.17282 42.79572       35.81990 
1 1 1 10  10 22 o 563.6497 22.43041 75.38148       5.947245  70.42212       11.28436  77.28880       6.998044  536.0002 45.17624 569.8549 26.10616 -33.85461      52.17685 
1 1 1 10  10 23 o 93.90176 41.28340 -0.7316620     3.523128  -4.489376      5.045181  2.844815       4.922011  96.10402 44.93011 134.1688 52.91819 -38.06479      69.41937 
1 1 1 10  10 24 o 188.2726 42.09588 9.020224       3.634617  6.025735       5.246923  11.78274       5.039594  160.2723 56.24605 213.0520 50.96916 -52.77969      75.90437 
1 1 1 10  10 25 o 537.5168 19.94109 68.75121       5.042086  67.23940       7.285423  70.14099       6.985219  527.2045 29.49522 539.4053 27.62199 -12.20074      40.40968 
1 1 1 10  10 26 o 714.5966 18.99134 121.5676       6.383897  120.4989       9.133611  122.5884       8.926343  706.8194 27.47038 713.4764 26.59651 -6.657043      38.23606 
1 1 1 10  10 27 o 316.7813 27.89174 24.46058       4.113888  22.17582       5.773720  26.81666       5.863142  294.6242 42.92088 326.6035 38.92990 -31.97928      57.94600 
1 1 1 10  10 28 o 301.6634 29.26237 22.34594       4.100194  18.00657       5.711237  26.96119       5.889992  261.2746 48.24635 326.4962 39.12972 -65.22153      62.11960 
1 1 1 10  10 29 o 290.7751 30.71908 20.95886       4.138183  24.17520       5.986284  18.01523       5.726879  305.6031 42.81725 259.7361 48.66042 45.86697       64.81631 
1 1 1 10  10 30 f 173.9239 69.53905 7.609989       8.608949  0.000000       0.000000  7.609989       8.608949  ?        ?        173.9239 69.53905 0.000000       69.53905 
1 1 1 10  10 31 o 164.4294 47.89932 7.502895       3.930891  10.97503       6.944015  5.865565       4.768484  189.9176 64.79836 148.8303 53.47694 41.08727       84.01553 
1 1 1 10  10 32 o 331.0090 28.97551 27.54278       4.466261  27.81510       7.431175  27.38879       5.588160  311.5133 52.58424 323.3615 37.42958 -11.84821      64.54514 
1 1 1 10  10 33 o 162.8502 49.31589 7.852780       4.102852  6.272295       5.725175  9.521404       5.882648  148.0992 57.46039 172.2523 59.60619 -24.15309      82.79248 
1 1 1 10  10 34 o 167.9866 60.50237 9.741380       6.107078  0.000000       0.000000  9.741380       6.107078  ?        ?        167.9866 60.50237 0.000000       60.50237 
1 1 1 10  12 0  o 682.4968 10.32271 109.6084       3.314084  114.2771       5.190886  106.3961       4.305856  696.6592 15.83988 672.3047 13.61520 24.35443       20.88721 
1 1 1 10  12 1  o 1395.590 17.77952 458.7177       11.67205  486.7899       15.26034  419.1439       18.11884  1437.062 22.57457 1332.547 28.90536 104.5144       36.67603 
1 1 1 10  12 2  o 1420.471 21.12236 475.4546       14.11380  0.000000       0.000000  475.4546       14.11380  ?        ?        1420.471 21.12236 0.000000       21.12236 
1 1 1 10  12 3  o 601.0467 10.93466 85.00871       3.091597  77.88348       7.759948  86.35306       3.370653  574.4968 28.71454 605.7559 11.82897 -31.25909      31.05559 
1 1 1 10  12 4  o 1088.324 13.19317 278.7680       6.754244  285.1665       14.89876  277.1128       7.577661  1099.377 28.80940 1084.993 14.84700 14.38342       32.41011 
1 1 1 10  12 5  o 590.6672 14.45427 82.12148       4.016137  73.21642       7.759829  85.37953       4.693667  556.2479 29.76404 602.1980 16.56928 -45.95013      34.06522 
1 1 1 10  12 6  o 1026.322 15.81836 247.9648       7.636851  272.9192       15.34271  239.7459       8.805115  1075.457 30.32773 1009.002 18.55127 66.45471       35.55166 
1 1 1 10  12 7  o 677.0281 18.22175 107.9334       5.803182  102.4970       9.413098  111.2664       7.370483  659.0806 30.36161 687.1771 22.80122 -28.09650      37.97003 
1 1 1 10  12 8  o 493.0323 13.09289 57.20714       3.036548  57.09502       4.136982  57.33809       4.471111  492.4220 17.85981 493.4241 19.26308 -1.002136      26.26860 
1 1 1 10  12 9  o 583.1068 13.12322 80.02135       3.599631  73.14448       4.693078  89.84818       5.610077  557.3394 17.90065 617.6500 19.30888 -60.31067      26.32994 
1 1 1 10  12 10 o 941.3696 13.83284 208.5819       6.125491  214.6443       8.616775  202.3884       8.709475  954.6299 19.18847 926.9209 19.97469 27.70898       27.69811 
1 1 1 10  12 11 o 1465.008 18.95667 505.5387       13.06385  500.0000       21.33058  508.8633       16.52582  1455.152 31.16198 1469.183 23.91211 -14.03101      39.27923 
1 1 1 10  12 12 f 748.2302 14.36433 131.7962       5.055800  132.0820       6.994056  131.4836       7.316824  748.7323 19.85790 746.9700 20.82333 1.762329       28.77407 
1 1 1 10  12 13 o 880.6918 14.68875 182.6148       6.085247  183.6185       8.597943  181.6074       8.613756  882.6586 20.70773 877.7984 20.86068 4.860229       29.39351 
1 1 1 10  12 14 o 827.5628 16.50746 161.3124       6.426146  165.2622       8.207009  155.0535       10.33121  837.2749 20.83759 810.3594 27.10218 26.91547       34.18674 
1 1 1 10  12 15 o 245.0574 29.97547 14.40880       3.383401  13.40666       4.896357  15.32459       4.680633  233.2977 46.25042 250.8249 41.09371 -17.52728      61.86917 
1 1 1 10  12 16 o 562.8802 24.31783 74.82229       6.438876  70.42212       10.96168  77.14031       7.956128  542.0326 43.35431 570.1963 29.76576 -28.16370      52.58894 
1 1 1 10  12 17 o 661.1832 23.09732 103.2652       7.183773  0.000000       0.000000  103.2652       7.183773  ?        ?        661.1832 23.09732 0.000000       23.09732 
1 1 1 10  12 18 o 802.9648 18.00132 152.1274       6.799394  148.0678       10.86926  154.7374       8.715219  790.1339 29.24355 809.0332 22.90038 -18.89929      37.14314 
1 1 1 10  12 19 f 466.5202 19.53610 51.42028       4.287238  48.55484       6.026944  54.35546       6.099854  451.3145 28.53582 477.8817 27.24788 -26.56717      39.45554 
1 1 1 10  12 20 o 577.5896 21.39418 78.97716       5.812788  78.50524       6.776567  80.29133       11.30846  575.1713 25.04628 575.6433 42.05296 -0.4720459     48.94658 
1 1 1 10  12 21 o 254.4266 31.92609 15.71735       3.736866  10.33703       5.187238  21.52203       5.387927  201.2081 53.77503 296.1519 39.67274 -94.94386      66.82574 
1 1 1 10  12 22 f 221.3964 35.57685 12.09482       3.579683  12.35175       5.071147  11.83965       5.053771  219.6192 50.18413 214.8111 50.80979 4.808151       71.41486 
1 1 1 10  12 23 o 125.7731 48.01808 2.912783       3.953056  1.541320       8.000793  3.355708       4.546801  151.2754 64.32210 134.3842 51.45212 16.89122       82.36900 
1 1 1 10  12 24 o 119.6394 46.59038 2.445567       3.774668  -3.192628      6.084551  5.973052       4.812725  112.2917 51.36628 157.2878 53.94309 -44.99610      74.48726 
1 1 1 10  12 25 f 403.2613 28.26441 39.39312       5.327728  32.66945       9.480268  42.49683       6.441063  350.1014 59.70665 416.6985 33.13352 -66.59705      68.28407 
1 1 1 10  12 26 o 143.6106 50.43443 4.909701       4.219017  3.525455       5.151708  7.728895       7.352026  138.1222 54.24654 178.1286 66.02238 -40.00636      85.44965 
1 1 1 10  12 27 o 452.4643 22.55305 49.09750       4.800195  54.79853       6.971060  43.95688       6.619572  472.7633 31.52706 422.0269 33.62318 50.73642       46.09202 
1 1 1 10  12 28 o 326.3651 27.89764 26.06365       4.241773  17.69236       5.928675  34.84291       6.071415  256.9325 50.85344 373.7737 34.93637 -116.8412      61.69783 
1 1 1 10  12 29 o 128.1090 50.39791 3.191194       4.453598  -7.437575      8.685061  6.983152       5.187560  118.7269 56.53198 162.1996 55.98275 -43.47271      79.56088 
1 1 1 10  12 30 f 148.5336 47.70976 5.912547       3.780562  5.228895       6.598218  6.246675       4.612813  152.1879 60.86813 152.9343 52.79016 -0.7464142     80.57127 
1 1 1 10  12 31 o 91.58844 40.88839 -0.6351910     3.589231  -1.162307      5.795870  -0.3072930     4.571250  111.7389 50.73252 104.2904 46.38010 7.448524       68.73792 
1 1 1 10  12 32 o 141.9601 56.31278 5.118906       5.603456  5.118906       5.603456  0.000000       0.000000  141.9601 56.31278 ?        ?        0.000000       56.31278 
1 1 1 10  12 33 o 225.3437 41.89209 14.19083       4.277200  18.37396       6.233792  10.46968       5.879494  242.7735 55.76059 177.8521 59.63015 64.92146       81.63944 
1 1 1 10  14 0  o 595.0959 10.28897 83.32392       2.880237  88.91035       4.482972  79.39691       3.758632  614.5806 15.50664 580.8210 13.75682 33.75958       20.72935 
1 1 1 10  14 1  o 1472.477 18.30132 510.5374       12.67653  527.8064       16.11006  482.4614       20.54147  1496.697 22.88201 1429.974 30.53753 66.72229       38.15923 
1 1 1 10  14 2  o 1081.017 27.10766 275.5351       13.78459  0.000000       0.000000  275.5351       13.78459  ?        ?        1081.017 27.10766 0.000000       27.10766 
1 1 1 10  14 3  o 569.3501 10.30209 76.26989       2.759141  98.51368       8.446062  73.61248       2.919307  646.3468 27.77918 559.3275 11.09543 87.01929       29.91306 
1 1 1 10  14 4  o 918.6308 12.02642 198.5795       5.196927  218.4899       13.10834  194.8663       5.660819  962.4525 28.95336 909.9550 13.22483 52.49750       31.83069 
1 1 1 10  14 5  o 954.9639 12.65143 214.6118       5.683238  232.5505       13.90156  211.0119       6.227421  992.8300 29.76592 946.8630 13.98143 45.96704       32.88602 
1 1 1 10  14 6  f 313.8011 19.89918 23.28613       2.922172  15.29132       6.375877  25.41203       3.287814  248.7766 55.85165 327.7340 21.44459 -78.95738      59.82706 
1 1 1 10  14 7  o 1266.143 17.47845 377.4801       10.41010  390.6064       19.65482  372.3621       12.27289  1286.192 32.48583 1257.240 20.75198 28.95203       38.54833 
1 1 1 10  14 8  o 233.5004 27.16439 13.03279       2.927948  14.13496       6.409297  12.74212       3.291475  238.9117 57.68385 230.2484 31.19259 8.663284       65.57747 
1 1 1 10  14 9  o 1449.198 16.20429 494.4911       11.04655  492.9052       15.38297  496.1798       15.87293  1446.140 22.61312 1450.849 23.25763 -4.708496      32.43872 
1 1 1 10  14 10 o 488.3733 15.41606 56.15534       3.541561  56.18312       5.117014  56.12980       4.906653  488.2201 22.28084 488.0303 21.37319 0.1897888      30.87473 
1 1 1 10  14 11 o 1066.846 14.48147 267.9591       7.267478  268.8908       10.11525  266.9650       10.44838  1068.211 20.13030 1064.304 20.86959 3.907349       28.99601 
1 1 1 10  14 12 o 574.8065 14.73245 77.79716       3.983510  78.61994       5.441521  76.84706       5.847423  577.5669 20.02851 570.9117 21.77340 6.655212       29.58416 
1 1 1 10  14 13 o 964.7377 17.51435 219.2861       7.948270  220.9864       9.326375  214.7741       15.19287  968.1627 20.47836 952.4952 33.90844 15.66754       39.61244 
1 1 1 10  14 14 o 1548.833 17.87833 565.3719       13.02570  556.4617       17.87945  575.4501       19.01520  1535.146 24.75911 1560.832 25.89855 -25.68591      35.82943 
1 1 1 10  14 15 o 422.9218 18.50474 42.17487       3.681394  43.19779       5.021589  40.98629       5.412968  426.8379 25.12048 415.3393 27.86681 11.49857       37.51796 
1 1 1 10  14 16 o 475.3621 17.55763 53.29037       3.926085  54.00208       5.398402  52.49129       5.720207  477.3609 24.11896 470.3378 25.95475 7.023071       35.43124 
1 1 1 10  14 17 o 678.9676 23.03530 109.0221       7.357193  0.000000       0.000000  109.0221       7.357193  ?        ?        678.9676 23.03530 0.000000       23.03530 
1 1 1 10  14 18 o 655.7725 16.57983 101.4868       5.114492  99.44768       7.072024  103.7228       7.405460  648.1078 23.19675 661.7794 23.78864 -13.67157      33.22632 
1 1 1 10  14 19 o 435.1732 25.11604 45.09428       5.119564  42.86309       5.968358  51.30797       9.960052  423.0760 30.18749 457.6434 46.93023 -34.56747      55.80081 
1 1 1 10  14 20 o 918.3915 18.45432 199.5309       7.972511  195.6188       9.944233  206.5696       13.33872  907.7925 23.28710 929.8144 30.49639 -22.02191      38.37080 
1 1 1 10  14 21 o 332.6495 24.72438 26.48329       3.841194  29.06713       5.427412  23.89019       5.437138  346.0990 33.76688 312.2141 37.79054 33.88489       50.67867 
1 1 1 10  14 22 o 420.0558 20.96655 41.92561       4.142889  35.30650       5.679862  49.45062       6.056077  381.6974 31.92685 453.3990 28.54064 -71.70160      42.82396 
1 1 1 10  14 23 o 547.8033 23.58551 71.63544       6.077699  73.78123       8.412396  69.29251       8.790385  551.3999 32.57738 532.9032 35.26568 18.49670       48.00994 
1 1 1 10  14 24 o 334.4830 32.06574 27.35425       4.983438  22.73484       9.287690  29.22187       5.905529  285.6599 69.72807 343.6521 37.12144 -57.99216      78.99370 
1 1 1 10  14 25 o 257.9927 30.76212 16.35017       3.659687  16.72545       5.213538  15.98562       5.138437  255.1327 45.08990 249.1008 45.52950 6.031967       64.07835 
1 1 1 10  14 26 o 172.7457 46.63284 7.833879       3.877733  9.645577       4.967916  5.008918       6.203512  189.7416 53.40313 154.6620 59.86660 35.07961       80.22409 
1 1 1 10  14 27 o 383.2822 28.51979 35.86934       5.105217  33.99160       5.967853  40.99287       9.857902  369.8293 34.71032 391.6964 55.01860 -21.86710      65.05269 
1 1 1 10  14 28 o 577.9597 19.62742 79.96442       5.336175  86.45485       7.735285  74.07110       7.370880  595.8898 27.59568 550.2404 28.57558 45.64941       39.72512 
1 1 1 10  14 29 o 147.4125 45.94240 5.768501       3.529333  1.453627       5.527905  8.737692       4.585593  124.5063 53.21496 177.5438 51.73898 -53.03757      74.22098 
1 1 1 10  14 30 o 115.3282 48.09633 1.804508       4.338310  0.000000       0.000000  1.804508       4.338310  ?        ?        115.3282 48.09633 0.000000       48.09633 
1 1 1 10  14 31 o 258.0050 35.10732 17.29509       4.150198  16.69144       5.834831  17.91320       5.904318  239.4926 53.17789 249.4274 52.00658 -9.934769      74.38127 
1 1 1 10  14 32 o 137.3037 47.23294 5.279373       3.691220  6.866826       5.294687  3.778240       5.148721  152.2839 56.10744 129.7690 53.08297 22.51489       77.23889 
1 1 1 10  16 0  o 1758.285 17.55175 727.9790       14.51707  741.6356       21.03483  715.5585       20.06028  1773.613 25.21221 1742.271 24.47665 31.34155       35.13918 
1 1 1 10  16 1  o 487.2700 12.40920 55.87643       2.844348  61.95007       5.580675  53.74499       3.305977  512.7041 23.13932 477.8303 14.70811 34.87378       27.41818 
1 1 1 10  16 2  o 738.0682 14.97395 128.2325       5.198787  124.7768       6.401195  134.9287       8.910635  727.8843 18.69517 756.5218 25.03905 -28.63745      31.24841 
1 1 1 10  16 3  o 1167.557 13.38925 320.8421       7.353663  326.0999       16.78184  319.5927       8.180904  1175.431 30.35102 1165.185 14.92578 10.24524       33.82253 
1 1 1 10  16 4  o 1127.155 13.11487 299.0168       6.953715  300.8324       16.09677  298.6002       7.710276  1128.941 30.31085 1126.283 14.55302 2.658813       33.62347 
1 1 1 10  16 5  o 406.7746 12.37411 38.94141       2.367758  40.51725       6.968931  38.73576       2.517519  412.4001 36.29315 405.6822 13.19220 6.717865       38.61641 
1 1 1 10  16 6  o 526.6962 12.83029 65.29117       3.178821  83.91796       8.696392  62.41853       3.415156  595.3237 31.16228 514.9430 14.09880 80.38068       34.20327 
1 1 1 10  16 7  o 331.7529 17.24930 25.98930       2.682594  33.56124       7.061526  24.71226       2.900000  374.2407 40.77207 323.3227 19.15280 50.91800       45.04655 
1 1 1 10  16 8  o 651.7886 18.19293 100.0704       5.578002  0.000000       0.000000  100.0704       5.578002  ?        ?        651.7886 18.19293 0.000000       18.19293 
1 1 1 10  16 9  o 779.5037 16.59245 143.1051       6.084125  148.0678       13.21469  141.7702       6.853743  791.0185 35.51413 775.7140 18.78265 15.30450       40.17513 
1 1 1 10  16 10 o 287.2788 18.25364 19.52299       2.453932  21.47806       3.257903  16.95928       3.730720  300.8772 23.19765 266.1841 30.33678 34.69308       38.18967 
1 1 1 10  16 11 o 506.0098 21.50167 60.38191       5.118000  0.000000       0.000000  60.38191       5.118000  ?        ?        506.0098 21.50167 0.000000       21.50167 
1 1 1 10  16 12 o 178.4148 30.82811 7.744392       2.493728  8.570509       3.257180  6.574296       3.876430  186.6645 38.37665 164.2441 47.48627 22.42038       61.05500 
1 1 1 10  16 13 o 561.8285 18.16035 74.41904       4.799513  76.70113       5.563202  67.77646       9.491324  570.1707 20.74200 532.6875 38.12999 37.48322       43.40653 
1 1 1 10  16 14 o 582.4178 18.08140 80.00214       4.953771  78.97759       5.586932  83.76933       10.71316  578.4469 20.53244 591.8592 38.69249 -13.41229      43.80285 
1 1 1 10  16 15 o 479.7595 16.47450 54.27950       3.717963  51.11496       4.905070  58.55287       5.700007  465.0407 22.42254 497.5083 24.35599 -32.46756      33.10566 
1 1 1 10  16 16 o 804.0117 16.87001 152.5337       6.380387  157.4911       9.941420  149.0616       8.320001  815.1857 25.92523 793.8566 22.27984 21.32910       34.18345 
1 1 1 10  16 17 o 216.0159 30.96515 11.33062       3.056504  9.259232       4.106809  13.90270       4.576303  192.0244 46.05775 236.9301 42.62804 -44.90575      62.75720 
1 1 1 10  16 18 o 425.1482 24.87996 43.05630       4.954071  35.28538       9.861115  45.67974       5.729605  374.1881 57.89231 437.2292 28.00497 -63.04111      64.31017 
1 1 1 10  16 19 o 129.2030 44.82055 3.713832       3.327163  1.625880       4.136797  7.538645       5.598983  118.1604 47.86376 176.3413 58.16026 -58.18090      75.32301 
1 1 1 10  16 20 o 165.1239 41.08294 6.885447       3.178139  3.125963       4.385152  11.04504       4.612605  131.7967 50.51308 207.9840 48.10418 -76.18733      69.75373 
1 1 1 10  16 21 o 273.3602 27.56875 18.05800       3.496634  16.83595       4.722577  19.54082       5.202104  260.1082 39.86837 280.3286 40.63416 -20.22040      56.92646 
1 1 1 10  16 22 f 278.6681 26.84925 18.77262       3.476010  18.74385       4.706762  18.80715       5.155465  275.0686 37.34096 274.0684 41.26876 1.000214       55.65481 
1 1 1 10  16 23 o 269.0152 27.77432 17.57447       3.464131  15.95138       4.765776  19.39267       5.044107  251.2656 41.78871 278.4636 39.62539 -27.19795      57.58878 
1 1 1 10  16 24 o 697.1318 17.57016 115.4202       5.761822  114.0239       8.087205  116.8596       8.211102  689.5365 24.93285 698.0181 25.00722 -8.481567      35.31300 
1 1 1 10  16 25 o 163.9386 46.23577 6.995432       3.719917  7.397459       4.682955  6.307968       6.123755  168.5718 52.98383 163.7832 60.34110 4.788528       80.30153 
1 1 1 10  16 26 o 301.6685 26.40322 22.13437       3.709036  21.28137       5.154666  23.05016       5.341035  290.4101 38.69584 302.5555 38.39161 -12.14539      54.50948 
1 1 1 10  16 27 o 388.1624 23.08837 36.38564       4.196744  41.79117       6.251954  31.95216       5.661990  410.9264 32.61115 358.2303 34.00756 52.69604       47.11689 
1 1 1 10  16 28 o 218.2888 38.50900 12.32026       3.809705  14.96136       5.941068  10.47579       4.964867  231.0816 55.37838 194.1799 52.91206 36.90163       76.59276 
1 1 1 10  16 29 f 286.2482 28.73384 20.37698       3.816847  21.07016       6.145207  19.94161       4.870142  277.9593 48.77782 277.5172 38.32941 0.4421387      62.03563 
1 1 1 10  16 30 o 171.5498 40.86647 7.978151       3.250768  1.792806       5.134428  12.11643       4.199718  120.6495 51.41909 210.5774 43.82341 -89.92793      67.56045 
1 1 1 10  16 31 o 193.3563 42.36878 10.35778       3.747194  4.904876       5.699437  14.50951       4.973164  140.5381 56.44255 224.9513 48.43063 -84.41315      74.37262 
1 1 1 10  18 0  f 1287.288 15.90113 390.2000       9.628817  400.7135       16.45725  384.7278       11.87313  1303.137 26.84713 1277.833 19.75250 25.30408       33.33061 
1 1 1 10  18 1  o 1394.748 15.06870 458.0115       9.886460  497.3272       15.46021  430.8108       12.85944  1452.443 22.62804 1352.143 20.21763 100.3002       30.34437 
1 1 1 10  18 2  o 481.2197 17.06207 54.53830       3.862285  61.34458       5.093800  45.33294       5.923892  510.1798 21.22508 437.2391 28.96581 72.94070       35.90992 
1 1 1 10  18 3  o 363.8830 11.64010 31.16268       1.992452  33.47206       6.596827  30.93086       2.090063  374.1050 38.01436 362.5146 12.25644 11.59033       39.94136 
1 1 1 10  18 4  o 249.9078 14.02620 14.74924       1.642216  27.59513       6.401049  13.84415       1.699084  338.7681 41.00275 242.0197 14.99822 96.74838       43.65973 
1 1 1 10  18 5  o 324.0482 11.42438 24.71366       1.741453  27.28003       6.636250  24.52386       1.804698  336.4023 42.91436 322.7930 11.88533 13.60922       44.52980 
1 1 1 10  18 6  o 591.7549 15.62093 82.46438       4.348286  79.51844       8.698481  83.44579       5.020602  579.0541 32.05904 595.1475 17.93337 -16.09338      36.73402 
1 1 1 10  18 7  o 987.7126 13.15625 229.6721       6.112684  214.9525       13.87426  233.2175       6.809161  953.5142 30.93238 995.2033 14.54496 -41.68915      34.18140 
1 1 1 10  18 8  o 832.4844 13.40225 163.1716       5.248353  147.8300       11.80100  166.9543       5.859755  790.4858 31.73625 841.9824 14.79473 -51.49658      35.01534 
1 1 1 10  18 9  o 284.7807 23.61478 19.27235       3.134929  7.773485       7.613203  21.62018       3.440117  191.0285 67.68381 301.6359 24.45545 -110.6074      71.96643 
1 1 1 10  18 10 o 698.6303 16.37791 115.0129       5.382390  105.2021       10.63073  118.3947       6.241504  665.2501 34.08551 708.6240 18.72424 -43.37384      38.88983 
1 1 1 10  18 11 o 948.2131 17.10399 211.9550       7.629088  217.5089       15.37833  210.1419       8.786547  957.2987 34.15013 943.7838 19.79139 13.51489       39.47063 
1 1 1 10  18 12 o 279.5911 20.85564 18.55763       2.723202  18.45588       3.321286  18.76635       4.756913  278.1550 25.67313 278.3976 37.25815 -0.2425537     45.24687 
1 1 1 10  18 13 o 414.4101 15.84681 40.49305       3.089167  41.65845       4.074467  38.91742       4.737633  419.9692 20.62453 404.7609 25.00493 15.20834       32.41323 
1 1 1 10  18 14 f 523.8455 14.84600 64.70290       3.658323  63.84282       4.804836  65.88921       5.642934  519.8681 19.64790 527.7472 22.73054 -7.879089      30.04525 
1 1 1 10  18 15 o 307.0062 24.06326 22.46586       3.447305  24.34276       3.850429  14.88407       7.738835  319.3326 25.85473 240.9306 66.23003 78.40208       71.09770 
1 1 1 10  18 16 o 266.0942 23.78026 16.92027       2.945246  18.62837       3.972257  14.83467       4.389313  277.8694 30.91379 245.5483 39.32793 32.32117       50.02348 
1 1 1 10  18 17 f 316.5212 20.70489 23.82895       3.065810  23.06452       4.062924  24.83975       4.672026  309.9074 28.17792 320.9436 31.34637 -11.03619      42.14961 
1 1 1 10  18 18 o 543.6777 16.78870 69.88808       4.293662  65.97345       5.738843  74.86562       6.471223  526.9893 23.15012 561.0432 24.52002 -34.05389      33.72179 
1 1 1 10  18 19 o 256.4040 35.15349 16.13556       4.128345  5.591558       7.981775  19.98645       4.823668  173.2728 67.67391 285.3045 36.79957 -112.0317      77.03224 
1 1 1 10  18 20 o 537.3981 17.05072 68.39204       4.310306  64.35898       5.847260  73.19158       6.378746  519.5978 23.92301 553.9326 24.47987 -34.33478      34.22827 
1 1 1 10  18 21 o 222.2836 30.61192 12.10904       3.115957  11.02038       4.296083  13.31744       4.526173  207.3633 45.30904 229.0343 43.60355 -21.67093      62.88226 
1 1 1 10  18 22 o 342.5455 27.63936 28.35937       4.415726  31.33197       5.171996  20.36564       8.481337  358.9763 30.93027 272.9039 66.64353 86.07248       73.47137 
1 1 1 10  18 23 o 409.6052 20.72592 40.07544       3.980461  37.87733       5.567818  42.37325       5.692703  394.7919 30.21039 418.1474 29.12324 -23.35547      41.96225 
1 1 1 10  18 24 o 303.3507 26.41329 22.30456       3.731478  21.21385       5.210240  23.45311       5.346617  290.7826 39.08012 306.5081 37.88921 -15.72546      54.43206 
1 1 1 10  18 25 o 287.9301 26.51561 20.16735       3.550998  26.34378       5.307342  15.16152       4.778004  325.5587 35.21726 242.4767 43.48741 83.08203       55.95900 
1 1 1 10  18 26 o 113.8492 42.30903 2.724287       3.023129  -0.7409883E-01 4.264395  5.551612       4.286388  105.1911 45.85232 148.5495 50.90905 -43.35843      68.51399 
1 1 1 10  18 27 o 144.0381 45.30426 5.416281       3.423154  6.807373       5.257524  4.392591       4.510113  161.0257 56.31447 138.1452 51.61005 22.88055       76.38663 
1 1 1 10  18 28 o 244.5468 30.29486 14.98109       3.410384  19.17360       5.604672  12.51607       4.297565  267.2600 46.25536 216.3148 43.73788 50.94516       63.65972 
1 1 1 10  18 29 o 138.7612 43.59192 5.172379       3.170347  8.641499       5.241579  3.171094       3.981135  172.4107 56.24491 122.2279 47.77857 50.18279       73.79893 
1 1 1 10  18 30 o 83.90694 38.20969 -1.252560      3.319015  -8.647444      5.151575  3.995244       4.339735  79.87045 39.27471 129.1823 50.05322 -49.31181      63.62254 
1 1 1 10  20 0  o 146.2972 34.47598 5.272950       2.333706  13.67420       5.177660  3.131073       2.614321  235.2747 48.39822 118.5367 39.76257 116.7380       62.63744 
1 1 1 10  20 1  o 1055.644 13.12109 262.3786       6.515636  278.2510       9.922113  250.3447       8.639469  1086.431 19.41479 1030.697 17.81914 55.73364       26.35253 
1 1 1 10  20 2  o 446.3604 17.85526 46.95268       3.749048  54.75756       4.967429  36.62307       5.714664  481.7951 21.91795 392.2053 31.23364 89.58981       38.15674 
1 1 1 10  20 3  o 1467.639 15.67185 507.3944       10.81954  531.8074       24.66302  501.5764       12.03996  1497.949 35.00098 1458.917 17.54386 39.03198       39.15170 
1 1 1 10  20 4  o 1357.238 14.93248 433.8904       9.533603  469.0845       22.62433  426.2919       10.51252  1406.898 34.18565 1345.069 16.61472 61.82898       38.00931 
1 1 1 10  20 5  o 485.4916 11.02383 55.48314       2.517582  61.77171       8.316478  54.84871       2.641525  509.2033 34.93113 482.6853 11.63379 26.51804       36.81751 
1 1 1 10  20 6  o 330.0815 11.74389 25.65153       1.823486  30.49941       7.335505  25.33223       1.882579  354.8281 44.95671 328.0078 12.20112 26.82034       46.58298 
1 1 1 10  20 7  o 305.1288 11.67706 21.92098       1.676047  34.57194       7.521625  21.26000       1.719274  378.3791 43.02358 300.4799 12.16355 77.89926       44.70996 
1 1 1 10  20 8  o 585.3694 12.30497 80.69435       3.388284  0.000000       0.000000  80.69435       3.388284  ?        ?        585.3694 12.30497 0.000000       12.30497 
1 1 1 10  20 9  o 630.2520 12.75797 93.56238       3.782381  79.22117       9.503199  96.26184       4.123023  576.1230 35.23528 639.2070 13.71213 -63.08398      37.80936 
1 1 1 10  20 10 o 533.3385 13.99113 67.03156       3.510144  74.91083       9.487298  65.78193       3.778256  559.6330 36.23325 528.2520 15.20481 31.38098       39.29420 
1 1 1 10  20 11 o 539.5710 13.58260 68.61177       3.447472  69.78018       4.306863  66.52795       5.751674  543.8569 16.83477 530.3259 23.05590 13.53107       28.54793 
1 1 1 10  20 12 o 217.2215 31.06479 11.44376       3.083847  14.50060       7.487637  10.81931       3.384202  238.3958 64.98678 210.1525 35.49810 28.24330       74.04996 
1 1 1 10  20 13 o 605.2036 13.23541 86.34525       3.767976  84.97446       5.053628  88.06126       5.654262  599.8094 17.91104 610.3396 19.69405 -10.53021      26.62069 
1 1 1 10  20 14 o 789.3040 13.67592 146.9288       5.077735  146.5863       6.983714  147.3130       7.396013  787.4224 18.85426 789.1350 19.92402 -1.712585      27.43081 
1 1 1 10  20 15 o 125.8119 36.00584 3.893849       2.238937  1.689947       2.893006  7.185172       3.535399  104.6872 40.78230 169.0471 44.02391 -64.35996      60.01084 
1 1 1 10  20 16 o 189.8419 34.96392 8.919964       3.007301  8.239842       3.262097  12.77051       7.761847  181.3383 39.37066 222.2206 67.94744 -40.88228      78.52964 
1 1 1 10  20 17 o 233.4572 24.25762 13.10403       2.625046  9.997618       3.369347  17.90180       4.187317  200.4787 37.09418 270.9291 33.57498 -70.45045      50.03257 
1 1 1 10  20 18 o 356.3452 19.30468 30.19635       3.223886  32.36062       4.301106  27.42138       4.870289  367.5948 25.02267 336.5512 31.11560 31.04358       39.92887 
1 1 1 10  20 19 o 315.8661 20.46386 23.79624       3.024251  15.17509       3.777000  39.19770       5.048301  248.7784 33.09617 403.9796 26.71625 -155.2011      42.53369 
1 1 1 10  20 20 o 173.6230 44.99757 7.726670       3.705216  5.564804       8.021148  8.313102       4.177640  171.6653 67.60286 179.5930 48.36954 -7.927628      83.12496 
1 1 1 10  20 21 o 331.7492 22.94654 26.37851       3.558933  22.40191       5.092819  30.17389       4.975418  301.1367 36.71209 352.5679 30.29396 -51.43115      47.59729 
1 1 1 10  20 22 o 313.4732 22.46161 23.57484       3.290200  18.58716       4.426309  29.73372       4.918622  274.1271 35.13434 349.6253 30.20345 -75.49826      46.33218 
1 1 1 10  20 23 o 82.17456 37.99527 -2.499300      3.456769  -1.233619      3.837252  -7.948871      7.962317  94.22430 42.15590 114.4227 54.38068 -20.19838      68.80682 
1 1 1 10  20 24 o 474.6266 18.82659 53.67892       4.203325  45.73541       5.626576  63.71048       6.322980  434.0387 27.70245 513.3201 26.27376 -79.28140      38.18031 
1 1 1 10  20 25 o 103.4000 40.84332 1.734615       2.936144  -1.701392      4.051635  5.534787       4.260936  93.73381 42.50364 148.4150 50.75818 -54.68120      66.20387 
1 1 1 10  20 26 o 206.2034 40.65282 11.09090       3.803099  19.81570       8.105596  8.628006       4.306557  259.6005 66.17731 178.1758 49.57178 81.42473       82.68493 
1 1 1 10  20 27 o 101.5416 40.11831 1.773138       2.833427  3.840666       4.548581  0.4621527      3.622005  132.7343 51.29526 99.89591 42.89553 32.83842       66.86726 
1 1 1 10  20 28 o 116.1239 41.32745 3.256747       2.841431  5.434008       4.683892  1.988916       3.574229  144.6128 52.84873 109.7202 44.47443 34.89261       69.07216 
1 1 1 10  22 0  f 233.9370 15.88268 12.95980       1.737447  13.30468       2.213433  12.40619       2.804363  236.5721 20.07959 227.4133 26.72452 9.158783       33.42738 
1 1 1 10  22 1  o 343.6549 14.86176 27.83157       2.402493  29.70471       3.658525  26.41138       3.185627  353.9324 22.08461 333.8680 20.38149 20.06445       30.05221 
1 1 1 10  22 2  o 1055.839 16.36546 262.8329       8.128222  272.6979       10.30048  246.5517       13.23275  1074.762 20.37397 1020.365 27.56927 54.39728       34.28066 
1 1 1 10  22 3  o 533.0505 12.90351 66.93281       3.235532  71.01665       8.637197  66.26618       3.489630  545.6194 33.81887 530.3185 13.98857 15.30090       36.59776 
1 1 1 10  22 4  o 650.4380 12.48940 99.65293       3.821351  0.000000       0.000000  99.65293       3.821351  ?        ?        650.4380 12.48940 0.000000       12.48940 
1 1 1 10  22 5  o 181.9792 20.04295 7.913312       1.687296  13.45719       6.603537  7.526086       1.745228  230.9023 60.18363 177.2213 21.36553 53.68103       63.86356 
1 1 1 10  22 6  f 916.6672 12.34096 197.9421       5.321451  201.8431       13.73643  197.2533       5.772183  921.6594 31.68357 914.9422 13.41149 6.717163       34.40518 
1 1 1 10  22 7  o 903.7535 13.30752 192.4710       5.657393  0.000000       0.000000  192.4710       5.657393  ?        ?        903.7535 13.30752 0.000000       13.30752 
1 1 1 10  22 8  o 419.9504 10.94082 41.53632       2.161310  43.16291       7.927511  41.40571       2.246409  422.6590 40.36356 419.2656 11.39017 3.393372       41.93987 
1 1 1 10  22 9  o 162.6727 15.93671 6.302583       1.203840  12.26219       6.710557  6.104410       1.223692  220.0171 62.11680 159.9964 16.49553 60.02063       64.26974 
1 1 1 10  22 10 o 462.4741 12.64027 50.41045       2.749876  49.94055       8.538307  50.46482       2.904641  454.3007 40.37468 462.6681 13.34608 -8.367340      42.52332 
1 1 1 10  22 11 o 149.5605 33.57699 5.550752       2.304373  21.48335       7.477369  3.878762       2.422269  291.2800 56.61127 126.3761 37.80813 164.9038       68.07562 
1 1 1 10  22 12 o 422.7282 18.56738 42.25206       3.692165  45.24376       8.710184  41.59676       4.076527  430.3544 43.62914 419.1735 20.67413 11.18088       48.27962 
1 1 1 10  22 13 o 399.5194 13.87465 37.66202       2.607530  38.24067       3.375321  36.80553       4.106469  402.1575 17.84225 393.3453 22.28506 8.812225       28.54767 
1 1 1 10  22 14 o 347.8183 24.51509 28.90049       3.985353  0.000000       0.000000  28.90049       3.985353  ?        ?        347.8183 24.51509 0.000000       24.51509 
1 1 1 10  22 15 o 466.7938 14.13903 51.44928       3.104659  49.05045       4.010766  55.03559       4.904006  455.1143 18.73430 481.5332 21.64988 -26.41885      28.63025 
1 1 1 10  22 16 o 492.1158 14.50998 57.21139       3.358949  54.83160       4.416789  60.47563       5.172844  480.9181 19.52389 504.5724 21.79398 -23.65436      29.26021 
1 1 1 10  22 17 o 362.7052 18.10563 31.16721       3.089133  30.60699       3.882048  32.13437       5.100713  357.8835 23.18416 364.8459 29.98556 -6.962402      37.90302 
1 1 1 10  22 18 o 611.8741 14.54387 88.49565       4.186118  92.77558       5.890339  84.12822       5.950245  625.1070 20.03165 594.9096 21.26251 30.19739       29.21235 
1 1 1 10  22 19 o 205.9131 27.67353 10.33545       2.612657  13.71316       3.604148  6.594933       3.792773  236.0365 33.39233 161.1140 47.08381 74.92256       57.72290 
1 1 1 10  22 20 o 277.3820 23.91640 18.50890       3.090136  15.35672       4.363484  21.68031       4.376771  247.9191 38.67827 297.9955 31.71020 -50.07632      50.01546 
1 1 1 10  22 21 o 415.8155 22.81544 41.42032       4.445659  35.73127       9.234015  43.13684       5.072191  370.6584 54.59511 423.3871 25.58786 -52.72876      60.29398 
1 1 1 10  22 22 o 150.7320 37.51863 5.803912       2.649770  2.853763       3.725592  8.823970       3.769476  122.0127 46.60805 184.4002 44.05850 -62.38744      64.13628 
1 1 1 10  22 23 o 119.6119 39.75357 3.445798       2.613990  4.237376       3.704628  2.660927       3.688902  134.2264 47.25111 119.4980 46.19029 14.72845       66.07731 
1 1 1 10  22 24 o 81.01708 37.15170 -1.900461      3.210103  -2.406855      3.643556  -0.1439061     6.785968  84.71769 39.11388 129.1088 57.00583 -44.39112      69.13437 
1 1 1 10  22 25 o 312.2480 20.64175 23.49894       3.014801  21.69751       4.265318  25.29741       4.261827  295.4776 31.15695 320.5854 28.55980 -25.10782      42.26603 
1 1 1 10  22 26 o 73.40343 33.37864 -1.224284      2.521270  -1.495838      3.936785  -1.035451      3.282865  92.16434 41.83228 86.11266 38.72414 6.051682       57.00437 
1 1 1 10  22 27 o 171.4950 44.39261 8.063789       3.609106  0.000000       0.000000  8.063789       3.609106  ?        ?        171.4950 44.39261 0.000000       44.39261 
1 1 1 10  24 0  o 589.4249 11.39269 81.84399       3.158815  84.78655       4.287285  78.34973       4.671938  599.5556 15.20140 576.1151 17.23925 23.44049       22.98422 
1 1 1 10  24 1  o 813.0901 12.58341 155.7966       4.812895  169.1611       7.381564  145.9134       6.347745  846.2883 18.54218 786.2236 17.16343 60.06464       25.26649 
1 1 1 10  24 2  o 958.2792 20.10367 217.0606       9.062263  217.0606       9.062263  0.000000       0.000000  958.2792 20.10367 ?        ?        0.000000       20.10367 
1 1 1 10  24 3  o 670.7291 11.88529 105.9984       3.749955  102.5268       9.568306  106.6284       4.076031  656.3101 30.99251 672.6159 12.88252 -16.30585      33.56330 
1 1 1 10  24 4  o 1114.143 13.61823 292.6499       7.137251  291.4388       16.48516  292.9293       7.917805  1106.087 31.68361 1114.372 15.10446 -8.285400      35.09980 
1 1 1 10  24 5  o 783.3424 11.97292 144.5974       4.411853  149.5838       11.79109  143.7856       4.757429  792.2889 31.63743 781.0157 12.94921 11.27313       34.18492 
1 1 1 10  24 6  o 556.9925 11.67810 73.10452       3.059785  78.74554       9.783148  72.49290       3.221396  572.3403 36.52805 554.5969 12.34802 17.74347       38.55868 
1 1 1 10  24 7  o 729.3994 14.32962 125.4974       4.916651  116.4090       10.76921  127.8905       5.526194  698.2055 32.78923 736.0637 15.96031 -37.85822      36.46732 
1 1 1 10  24 8  f 383.5821 13.99093 34.70723       2.524494  26.09988       7.331311  35.86512       2.688940  323.8960 49.70546 389.8724 14.66187 -65.97644      51.82280 
1 1 1 10  24 9  o 332.7981 13.05226 26.11915       2.043317  19.75327       7.140552  26.68691       2.132492  278.4749 56.44272 336.3661 13.47739 -57.89124      58.02948 
1 1 1 10  24 10 o 438.0637 12.81636 45.25756       2.641018  24.44709       8.041995  47.77326       2.796096  309.8943 57.27700 450.0364 13.20794 -140.1422      58.78014 
1 1 1 10  24 11 o 536.4400 10.97512 67.82538       2.769489  69.70869       9.910907  67.66586       2.884393  535.7902 39.60389 535.7598 11.44498 0.3045654E-01  41.22446 
1 1 1 10  24 12 o 181.5800 23.42470 7.958488       1.954181  0.000000       0.000000  7.958488       1.954181  ?        ?        181.5800 23.42470 0.000000       23.42470 
1 1 1 10  24 13 o 431.9862 17.83860 44.16035       3.624933  0.000000       0.000000  44.16035       3.624933  ?        ?        431.9862 17.83860 0.000000       17.83860 
1 1 1 10  24 14 o 355.7991 21.14568 30.14575       3.523203  19.00119       8.427591  32.50600       3.878379  267.4275 67.10249 369.2337 22.43586 -101.8062      70.75388 
1 1 1 10  24 15 o 407.6702 19.87105 39.41525       3.810650  41.02259       8.812502  39.04558       4.226190  405.9392 47.02027 404.7302 22.28387 1.209076       52.03342 
1 1 1 10  24 16 o 432.5959 15.24271 44.24395       3.101802  39.58459       3.727955  54.72652       5.591670  408.5305 19.39889 478.4327 24.93200 -69.90225      31.58990 
1 1 1 10  24 17 o 306.3488 17.36485 22.30241       2.492107  19.70192       3.252331  26.00070       3.878527  286.4049 24.37215 329.0635 25.24888 -42.65860      35.09285 
1 1 1 10  24 18 o 317.8712 17.60351 24.02682       2.621939  23.75953       3.543775  24.35011       3.897357  314.5948 24.13058 317.9050 26.29789 -3.310120      35.69122 
1 1 1 10  24 19 o 113.9996 40.87523 2.796443       2.784521  4.886304       3.048097  -7.743758      6.845330  139.8112 42.54434 104.9454 50.03012 34.86581       65.67369 
1 1 1 10  24 20 o 445.0190 16.16935 46.95706       3.384859  49.87289       4.847207  44.18193       4.728815  456.8953 22.55306 429.1415 23.51468 27.75385       32.58191 
1 1 1 10  24 21 o 488.7764 15.91617 56.68015       3.659469  57.74023       5.126245  55.57853       5.225731  491.3293 22.17979 481.7192 23.06130 9.610077       31.99635 
1 1 1 10  24 22 o 135.4199 44.86506 4.537080       3.330380  4.815696       6.580469  4.441142       3.861425  154.8682 61.15399 136.8473 48.23347 18.02087       77.88631 
1 1 1 10  24 23 o 211.0494 25.31502 10.90829       2.463077  10.53011       3.466135  11.29406       3.500756  202.6576 37.74806 210.4988 36.68805 -7.841156      52.63962 
1 1 1 10  24 24 o 200.5349 48.06733 10.89450       4.475265  17.93995       6.301486  3.724733       6.356837  254.7552 54.24677 144.0694 58.96355 110.6859       80.12123 
1 1 1 10  24 25 o 234.7645 63.59120 16.50119       7.196383  0.000000       0.000000  16.50119       7.196383  ?        ?        234.7645 63.59120 0.000000       63.59120 
1 1 1 10  26 0  o 289.1781 14.71360 19.78595       1.994884  18.06691       2.585139  22.31649       3.136520  275.5646 20.08123 306.1083 21.92754 -30.54373      29.73336 
1 1 1 10  26 1  o 549.0096 12.69639 71.07131       3.278911  80.79351       5.074121  64.10081       4.296461  584.5390 18.45347 520.7971 17.53771 63.74194       25.45785 
1 1 1 10  26 2  o 949.7109 16.12789 213.0060       7.205073  217.3280       9.037976  205.4697       11.93455  958.2352 20.05071 929.2402 27.30290 28.99506       33.87446 
1 1 1 10  26 3  o 382.8779 13.03253 34.57203       2.347245  37.63377       6.972566  34.18071       2.492738  393.7984 38.11694 380.6328 13.92198 13.16556       40.57983 
1 1 1 10  26 4  o 551.9496 11.67428 71.80993       3.031089  75.47563       8.646111  71.29629       3.236491  560.7173 32.92433 549.8830 12.51223 10.83435       35.22169 
1 1 1 10  26 5  o 679.1229 11.59918 108.7141       3.705485  123.1867       10.75882  106.7663       3.946969  717.8007 31.86335 672.8972 12.46940 44.90350       34.21635 
1 1 1 10  26 6  o 63.15334 29.40296 -1.921507      2.125286  0.000000       0.000000  -1.921507      2.125286  ?        ?        63.15334 29.40296 0.000000       29.40296 
1 1 1 10  26 7  o 216.3327 16.37321 11.11983       1.653852  17.72592       6.954950  10.72390       1.702693  262.5468 57.87281 212.3100 17.19663 50.23677       60.37372 
1 1 1 10  26 8  o 241.2419 14.34941 13.78528       1.621034  20.54994       7.533486  13.45686       1.659918  282.7171 58.57252 238.2769 14.88386 44.44022       60.43401 
1 1 1 10  26 9  o 424.2768 11.19859 42.43343       2.235023  31.92628       7.574294  43.43556       2.339181  359.1813 45.87699 429.2239 11.58539 -70.04257      47.31722 
1 1 1 10  26 10 o 188.1334 15.68954 8.419625       1.375833  8.198574       6.769897  8.429149       1.405157  185.5594 63.95864 188.1938 16.02529 -2.634323      65.93571 
1 1 1 10  26 11 o 716.7150 11.29502 121.1109       3.808053  105.6183       11.16484  123.1505       4.050965  661.1006 36.03776 722.6259 11.91724 -61.52521      37.95709 
1 1 1 10  26 12 o 318.3413 10.80501 23.89061       1.618033  19.01903       7.290383  24.14300       1.659418  270.6378 58.93549 320.0034 11.02382 -49.36557      59.95763 
1 1 1 10  26 13 o 287.2980 13.28110 19.48465       1.794882  10.27051       7.277514  20.08143       1.852095  201.5382 66.29974 291.6468 13.50009 -90.10866      67.66023 
1 1 1 10  26 14 o 139.5432 27.54757 4.812294       1.744077  -2.128121      7.222836  5.242020       1.797260  129.0625 57.78279 145.8592 27.19481 -16.79663      63.86242 
1 1 1 10  26 15 o 299.7191 59.34055 23.49881       8.070302  23.49881       8.070302  0.000000       0.000000  299.7191 59.34055 ?        ?        0.000000       59.34055 
1 1 1 10  26 16 o 238.1145 17.73960 13.51389       1.972751  12.19810       2.476879  15.79667       3.262457  224.9380 23.76844 255.3148 27.60375 -30.37685      36.42672 
1 1 1 10  26 17 o 166.8647 37.45512 7.049258       2.867862  15.15458       7.082636  5.459732       3.136487  237.1064 62.58472 146.9834 42.77755 90.12302       75.80743 
1 1 1 10  26 18 o 105.2893 34.13467 2.634802       1.931837  3.045720       2.486563  2.009120       3.068304  114.5203 38.77703 108.4752 42.07124 6.045181       57.21579 
1 1 1 10  26 19 o 89.92558 41.87657 -3.424650      4.314686  -9.277646      6.237148  1.946790       5.975060  93.77632 45.47085 134.9394 56.37417 -41.16309      72.42683 
1 1 1 10  26 20 o 141.7084 49.99731 4.767231       4.150016  0.7782403      5.981735  8.469085       5.762424  127.8581 55.01914 179.1010 58.99979 -51.24293      80.67268 
1 1 1 10  26 22 o 268.3184 53.43342 19.59869       6.507246  19.59869       6.507246  0.000000       0.000000  268.3184 53.43342 ?        ?        0.000000       53.43342 
1 1 1 10  28 0  o 246.3291 17.14391 14.41285       1.974147  15.31002       2.676887  13.34307       2.923059  253.0061 22.73479 235.2334 26.89979 17.77266       35.22030 
1 1 1 10  28 1  o 244.6408 24.24886 14.35472       2.753788  15.19335       3.682459  13.29073       4.147833  250.0171 32.04893 231.6319 39.48331 18.38518       50.85338 
1 1 1 10  28 2  o 168.0820 37.56286 7.063434       2.895210  4.017335       3.681557  12.00059       4.687035  134.7894 47.12516 217.8500 47.10893 -83.06055      66.63357 
1 1 1 10  28 3  o 126.7033 29.53929 3.983702       1.728131  7.131392       5.752597  3.671458       1.811818  173.5997 58.97931 121.6370 31.43727 51.96267       66.83457 
1 1 1 10  28 4  o 169.9617 22.31721 6.967796       1.741138  3.344233       5.957150  7.306255       1.820638  146.9180 58.13132 174.0188 22.78885 -27.10077      62.43863 
1 1 1 10  28 5  o 417.6342 17.19221 41.23819       3.377512  0.000000       0.000000  41.23819       3.377512  ?        ?        417.6342 17.19221 0.000000       17.19221 
1 1 1 10  28 6  o 672.0781 11.29570 106.4821       3.571102  112.1879       11.05992  105.8180       3.773204  682.5137 34.56126 669.8839 11.97406 12.62982       36.57675 
1 1 1 10  28 7  o 625.1917 10.73953 92.12733       3.158404  93.78716       10.25984  91.95357       3.319612  623.4919 35.12474 624.5308 11.29963 -1.038940      36.89754 
1 1 1 10  28 8  o 444.9875 40.01469 48.33532       8.286435  48.33532       8.286435  0.000000       0.000000  444.9875 40.01469 ?        ?        0.000000       40.01469 
1 1 1 10  28 9  o 309.2809 34.23852 23.27495       4.897676  29.93460       7.558085  18.45422       6.430466  346.3282 47.65563 268.8263 52.73512 77.50192       71.07779 
1 1 1 10  28 10 o 267.0399 39.21066 17.62740       4.778800  17.44352       7.142062  17.77646       6.430320  258.3722 59.92601 263.0878 53.77465 -4.715607      80.51608 
1 1 1 10  28 11 f 221.2805 45.97841 12.43573       4.629621  15.85910       7.044883  9.833532       6.142114  245.4462 61.22136 195.8452 60.53712 49.60097       86.09760 
1 1 1 10  28 12 o 260.3443 43.03354 16.98737       5.086040  15.61534       7.593946  18.10345       6.849080  241.9605 65.23367 263.5976 56.90328 -21.63710      86.56451 
1 1 1 10  28 13 o 77.83829 37.62879 -6.413105      4.194317  -7.954816      5.976457  -4.916766      5.887855  95.44820 45.83546 104.1853 48.65119 -8.737076      66.84181 
1 1 1 10  28 14 o 329.8967 33.47269 26.57674       5.122499  30.64804       7.263215  22.54756       7.225548  349.4936 45.24125 295.0597 54.05036 54.43387       70.48554 
1 1 1 10  28 15 o 104.2663 45.17402 -0.1603835     4.088280  2.690250       5.669188  -3.249109      5.901192  138.0537 55.99345 110.1377 50.45630 27.91599       75.37309 
1 1 1 10  28 16 o 91.59319 43.95193 -7.080857      5.473062  -7.080857      5.473062  0.000000       0.000000  91.59319 43.95193 ?        ?        0.000000       43.95193 
1 1 1 10  28 17 o 114.9535 46.99677 1.606825       4.032979  2.890904       5.968976  0.5282403      5.470549  140.5177 57.28019 122.5354 52.66994 17.98228       77.81480 
1 1 1 10  28 18 o 276.2348 50.78062 20.05945       6.355352  0.000000       0.000000  20.05945       6.355352  ?        ?        276.2348 50.78062 0.000000       50.78062 
1 1 1 10  28 19 o 238.9805 43.43103 14.78428       4.702540  7.978598       6.634457  21.65577       6.666451  176.0715 63.09791 285.6479 51.50777 -109.5764      81.45181 
1 1 1 10  30 0  o 257.4184 17.66988 15.75420       2.126694  18.17396       3.084231  13.56084       2.936409  275.3893 24.04970 236.9903 26.81168 38.39905       36.01741 
1 1 1 10  30 1  o 298.5304 17.52449 21.15944       2.450163  26.88188       4.165148  18.13141       3.029844  334.7144 26.67520 275.1563 23.63788 59.55807       35.64149 
1 1 1 10  30 2  o 440.8269 22.49111 46.27914       4.648377  55.05351       8.083451  41.94412       5.681784  476.3545 36.34862 417.8567 29.08738 58.49780       46.55424 
1 1 1 10  30 3  o 433.1380 12.50550 44.26293       2.547984  45.24376       7.770975  44.14478       2.697085  430.6140 38.77951 432.4765 13.25754 -1.862549      40.98307 
1 1 1 10  30 4  o 129.4847 27.73817 4.152873       1.638640  1.857016       5.882274  4.346027       1.706179  136.4028 56.37036 132.4364 28.24903 3.966324       63.05256 
1 1 1 10  30 5  f 190.8187 17.47615 8.688461       1.551262  11.21582       6.184059  8.518748       1.602499  207.9470 59.93590 188.8041 18.27189 19.14290       62.65919 
1 1 1 10  30 6  o 243.4974 36.30576 14.61488       4.031409  15.41617       6.104842  13.99524       5.368433  244.2193 54.52063 233.7900 50.30639 10.42932       74.18378 
1 1 1 10  30 7  o 532.4235 23.41751 67.46205       5.864990  61.41498       8.303010  73.48396       8.285714  503.1415 35.30490 552.0056 32.04722 -48.86411      47.68082 
1 1 1 10  30 8  o 663.0685 22.97318 104.6269       7.165538  96.37337       10.04769  113.1689       10.22175  631.1946 33.96521 686.0148 31.67543 -54.82019      46.44318 
1 1 1 10  30 10 o 240.5947 40.00427 14.47530       4.368551  12.53270       6.211740  16.37634       6.144930  217.9039 59.10454 251.0814 53.65559 -33.17752      79.82649 
1 1 1 10  30 11 o 310.1062 44.61588 24.17658       6.320948  0.000000       0.000000  24.17658       6.320948  ?        ?        310.1062 44.61588 0.000000       44.61588 
1 1 1 10  30 12 o 296.6908 31.49078 21.48055       4.327792  19.63734       6.106019  23.34126       6.134926  276.8114 48.66926 304.4052 44.13061 -27.59381      65.69785 
1 1 1 10  30 13 o 99.92759 43.20469 -0.1001898     3.724098  1.633472       5.352359  -1.727111      5.184970  128.4673 53.48619 108.5980 48.76505 19.86932       72.37957 
1 1 1 10  30 14 o 172.8784 46.62714 7.763899       3.878827  7.544590       5.514862  7.978597       5.456582  172.3577 57.75168 175.9436 57.38635 -3.585876      81.41529 
1 1 1 10  30 15 o 249.6589 37.54604 15.64199       4.272902  18.79905       6.172939  12.73781       5.920552  267.8239 50.85732 217.0741 57.18384 50.74980       76.52750 
1 1 1 10  30 16 o 153.2005 49.26731 5.990762       4.030525  8.629608       6.043128  3.876338       5.409421  180.8189 60.45510 142.0747 55.65025 38.74420       82.16915 
1 1 1 10  32 0  o 163.6233 50.67338 6.733057       4.301303  6.733057       4.301303  0.000000       0.000000  163.6233 50.67338 ?        ?        0.000000       50.67338 
1 1 1 10  32 1  o 408.2978 21.25356 39.73941       4.067941  40.01190       6.224617  39.53627       5.374440  405.9820 32.87619 405.1526 28.37893 0.8294067      43.43049 
1 1 1 10  32 2  o 498.4273 20.78694 59.03987       4.873734  55.43995       7.419869  61.77170       6.463647  478.1312 33.19551 507.2877 27.18548 -29.15643      42.90678 
1 1 1 10  32 3  o 207.6078 38.13566 10.79193       3.587053  10.81153       5.343963  10.77586       4.839228  203.5242 54.66076 203.9442 50.66792 -0.4199982     74.53212 
1 1 1 10  32 4  o 130.5159 50.76533 2.953924       4.477369  0.000000       0.000000  2.953924       4.477369  ?        ?        130.5159 50.76533 0.000000       50.76533 
1 1 1 10  32 5  f 425.6879 23.37109 43.33017       4.662023  39.41736       6.608929  47.20571       6.577375  401.7211 35.33270 441.3314 31.89723 -39.61029      47.60077 
1 1 1 10  32 6  o 179.5100 43.08599 8.238562       3.592033  9.491677       5.130072  7.033294       5.031175  190.8802 54.45882 168.0014 55.11899 22.87883       77.48462 
1 1 1 10  32 7  o 236.5337 51.40566 14.54519       5.556336  14.54519       5.556336  0.000000       0.000000  236.5337 51.40566 ?        ?        0.000000       51.40566 
1 1 1 10  32 8  o 189.3400 41.30800 9.136803       3.575649  9.530322       5.178512  8.778241       4.943156  190.7580 54.80793 183.6451 53.77607 7.112961       76.78395 
1 1 1 10  32 9  o 112.3951 44.62139 1.899715       3.520923  -4.241974      5.132263  7.360286       4.839315  97.30722 45.43364 169.8249 53.91865 -72.51770      70.50842 
1 1 1 10  32 10 o 258.8704 34.26172 16.56853       4.069644  10.30321       5.823092  22.55054       5.689911  196.8513 58.55916 299.5850 41.48900 -102.7336      71.76707 
1 1 1 11  1  0  o 2136.710 20.51422 1075.794       20.61911  1115.378       30.42743  1042.182       28.03849  2173.459 29.76078 2101.305 28.36589 72.15479       41.11359 
1 1 1 11  1  1  o 948.1411 11.72394 211.5663       5.228966  210.1001       7.321633  213.0927       7.470360  944.5729 16.47795 951.2612 16.69446 -6.688232      23.45694 
1 1 1 11  1  2  o 590.3772 10.76030 82.02040       2.988294  85.06918       4.325320  79.23620       4.133382  601.0918 15.29707 580.1240 15.14661 20.96777       21.52719 
1 1 1 11  1  3  o 176.8092 20.58325 7.466308       1.679898  7.200773       2.356488  7.740699       2.395459  172.1194 30.20668 178.7235 29.52391 -6.604050      42.23867 
1 1 1 11  1  4  o 778.6400 11.78971 142.6940       4.318262  146.0892       6.202219  139.4996       6.015930  787.5791 16.74108 769.6193 16.61719 17.95984       23.58802 
1 1 1 11  1  5  o 596.8918 11.97374 83.86079       3.361977  84.74694       4.762983  82.98089       4.746169  599.8134 16.88082 593.5244 16.99947 6.289001       23.95713 
1 1 1 11  1  6  o 329.9063 17.56911 25.71968       2.716703  24.34305       4.491969  26.51361       3.411297  319.4117 30.25700 334.5583 21.79496 -15.14661      37.28949 
1 1 1 11  1  7  o 253.5498 21.67826 15.28383       2.560717  14.18898       3.124478  17.52378       4.469089  243.3546 27.79258 269.2912 36.19652 -25.93654      45.63568 
1 1 1 11  1  8  o 310.0121 17.33616 22.73670       2.518008  23.39382       3.506272  22.03689       3.618377  313.6601 23.94476 304.1413 25.52730 9.518829       34.99992 
1 1 1 11  1  9  f 665.9424 13.33746 104.4837       4.178102  106.3325       6.025577  102.7717       5.798423  671.2132 19.08397 659.9270 18.67862 11.28619       26.70372 
1 1 1 11  1  10 o 427.4756 16.17955 43.07389       3.253473  48.01710       4.706033  38.54821       4.502897  450.9041 22.18715 403.1829 23.84824 47.72116       32.57312 
1 1 1 11  1  11 o 1538.438 20.11785 558.1377       14.55898  560.9394       25.46842  556.7777       17.74406  1538.138 35.19956 1535.574 24.56479 2.564575       42.92363 
1 1 1 11  1  12 o 1570.966 17.68006 581.3604       13.06531  594.0826       18.89681  569.7088       18.08425  1586.772 25.31655 1553.992 24.73902 32.78052       35.39699 
1 1 1 11  1  13 o 1094.970 15.25220 282.2790       7.856048  266.9978       10.70637  300.1043       11.56331  1064.406 21.38285 1128.427 21.78410 -64.02087      30.52497 
1 1 1 11  1  14 o 904.8396 15.08520 192.7478       6.420840  189.8177       9.015672  195.7637       9.146624  897.5139 21.35441 911.4644 21.33299 -13.95044      30.18456 
1 1 1 11  1  15 o 1713.856 19.51922 691.9818       15.73643  655.3969       20.90015  739.8708       23.91204  1666.764 26.65667 1770.495 28.71128 -103.7308      39.17801 
1 1 1 11  1  16 o 1845.464 20.35817 802.5897       17.67314  801.2939       24.87047  803.9114       25.11855  1842.211 28.69958 1845.157 28.93955 -2.946899      40.75737 
1 1 1 11  1  17 f 485.4969 19.41029 55.54768       4.432899  58.81575       6.299889  52.34278       6.238690  498.3987 26.97154 469.9153 28.35592 28.48340       39.13467 
1 1 1 11  1  18 o 830.2031 33.22966 163.1689       12.97716  163.1689       12.97716  0.000000       0.000000  830.2031 33.22966 ?        ?        0.000000       33.22966 
1 1 1 11  1  19 o 1068.238 17.17797 268.9382       8.631950  263.0064       12.10361  275.0780       12.31396  1055.312 24.38174 1079.281 24.25458 -23.96960      34.39119 
1 1 1 11  1  20 o 308.3765 28.27290 22.69729       4.055630  26.39263       5.746140  19.02912       5.724973  331.0367 37.56552 278.7466 45.20979 52.29019       58.78004 
1 1 1 11  1  21 o 393.6284 24.31779 36.79505       4.480717  37.32615       6.486227  36.31026       6.197042  394.4018 35.33563 389.2035 34.19522 5.198334       49.17235 
1 1 1 11  1  22 o 249.1181 66.14965 15.94233       7.881966  0.000000       0.000000  15.94233       7.881966  ?        ?        249.1181 66.14965 0.000000       66.14965 
1 1 1 11  1  23 f 109.4697 45.54773 0.8100309      3.877946  -2.370136      5.469740  4.024154       5.498864  110.7603 49.87973 148.4548 56.64416 -37.69452      75.47549 
1 1 1 11  1  24 o 1033.265 25.48997 254.2811       12.38940  250.4459       17.23425  258.3829       17.82309  1019.176 35.94794 1034.723 36.61758 -15.54706      51.31375 
1 1 1 11  1  25 o 101.9222 45.81366 -1.782260      4.589084  -0.4140904     8.200292  -2.406125      5.537381  144.2497 63.21115 110.2288 49.86272 34.02084       80.51049 
1 1 1 11  1  26 o 468.8477 22.05234 52.42352       4.863577  48.74724       6.939444  55.97268       6.818426  447.1043 33.23243 480.6514 30.31202 -33.54715      44.98014 
1 1 1 11  1  27 o 256.1672 34.79742 16.32454       4.084621  14.79932       5.920293  17.71012       5.642750  235.1128 54.57976 261.2182 47.67858 -26.10542      72.47205 
1 1 1 11  1  28 o 367.9635 30.43286 33.20311       5.220369  32.09426       6.478792  35.25565       8.814641  357.0071 39.22536 365.1132 52.86053 -8.106079      65.82450 
1 1 1 11  1  29 o 147.0696 47.80686 5.565292       3.788092  3.523581       5.388958  7.559532       5.325941  137.9977 55.07160 168.7868 56.75289 -30.78909      79.08079 
1 1 1 11  1  30 o 289.3729 36.60985 21.24270       4.871913  16.20102       5.892586  32.13437       8.660944  242.6946 53.09200 342.0795 55.74295 -99.38496      76.98076 
1 1 1 11  1  31 o 148.6724 51.26064 5.810375       4.348788  14.32224       7.636576  1.725243       5.290411  216.1144 67.61677 123.6788 52.43425 92.43561       85.56506 
1 1 1 11  1  32 o 100.4821 43.00150 0.6893796      3.617894  3.258890       5.166869  -1.782274      5.067527  130.6039 53.27197 102.5191 46.88907 28.08479       70.96822 
1 1 1 11  1  33 o 215.3013 43.54333 12.78685       4.258460  13.60583       7.597392  12.41167       5.142176  201.3467 67.78280 204.8605 52.96897 -3.513794      86.02453 
1 1 1 11  1  34 o 274.4590 40.03918 20.57139       5.017114  22.56243       7.288400  18.77824       6.916722  266.1787 59.68247 239.9567 61.11115 26.22203       85.41996 
1 1 1 11  1  35 o 144.4557 51.43326 6.485232       4.401430  12.85375       6.431135  0.8739597      6.036695  188.5799 62.33920 115.1078 52.06670 73.47209       81.22264 
1 1 1 11  3  0  o 442.8845 11.16383 46.16032       2.325803  54.84543       5.059315  43.83307       2.618939  482.3420 22.29807 431.5343 12.90152 50.80771       25.76147 
1 1 1 11  3  1  o 286.8463 12.97766 19.36753       1.751116  22.02353       2.510803  16.85205       2.443475  305.2815 17.55805 266.7209 19.61276 38.56061       26.32386 
1 1 1 11  3  2  o 602.9733 10.77912 85.56046       3.057390  82.94582       4.263993  88.32712       4.386202  593.5252 15.27242 612.4780 15.22400 -18.95276      21.56426 
1 1 1 11  3  3  o 672.3513 11.16064 106.3892       3.529837  107.2821       5.028623  105.5218       4.956056  674.9578 15.83810 669.4025 15.73909 5.555359       22.32855 
1 1 1 11  3  4  o 673.8976 11.49998 106.8876       3.645526  105.9926       5.132030  107.7992       5.179402  670.8386 16.26305 676.5306 16.27507 -5.692078      23.00792 
1 1 1 11  3  5  o 413.8051 14.69975 40.32602       2.861377  38.52557       4.673103  41.40592       3.619159  403.2384 24.75595 419.1598 18.35518 -15.92139      30.81834 
1 1 1 11  3  6  o 419.3128 13.49639 41.40709       2.662106  42.29779       3.822156  40.56793       3.709924  423.5208 19.18511 414.7795 19.01421 8.741241       27.01127 
1 1 1 11  3  7  o 675.5218 12.55263 107.4733       3.988811  107.1137       5.625424  107.8369       5.656769  673.9399 17.74454 676.2073 17.78358 -2.267456      25.12219 
1 1 1 11  3  8  o 509.1143 15.87542 61.10833       3.801981  57.84262       4.528674  68.90607       6.997877  495.0301 19.44778 538.6199 27.71334 -43.58975      33.85625 
1 1 1 11  3  9  o 1071.517 14.16870 270.5358       7.141653  274.4334       10.21329  266.8066       9.990058  1078.214 20.13684 1063.157 19.97567 15.05701       28.36406 
1 1 1 11  3  10 o 372.9563 19.51305 32.89846       3.411460  32.31389       4.235966  33.97741       5.754905  369.0189 24.54246 377.1711 32.76169 -8.152191      40.93484 
1 1 1 11  3  11 o 1163.051 17.61427 318.7163       9.636796  327.2332       12.03641  303.5078       16.08413  1177.947 21.72210 1133.029 30.17777 44.91833       37.18262 
1 1 1 11  3  12 o 1168.889 17.84206 321.8285       9.810421  348.3948       18.44688  311.3514       11.58450  1214.149 32.29845 1149.332 21.42706 64.81677       38.75963 
1 1 1 11  3  13 o 260.4525 25.14700 16.14455       3.042632  19.69155       4.490688  13.13440       4.136914  286.6871 33.95938 232.4407 39.23172 54.24638       51.88803 
1 1 1 11  3  14 o 276.5251 27.82680 18.22259       3.570493  22.17598       6.078904  16.14036       4.411680  302.7882 43.96439 258.6032 37.34840 44.18494       57.68683 
1 1 1 11  3  15 f 421.9265 19.26658 41.93842       3.823936  42.98298       5.449992  40.92555       5.366695  425.9321 27.34559 415.5414 27.61228 10.39069       38.86155 
1 1 1 11  3  16 o 496.6154 21.31282 58.13272       4.978867  58.11321       6.023585  58.17480       8.845881  495.6032 25.92768 494.1433 38.35618 1.459869       46.29731 
1 1 1 11  3  17 f 832.8374 18.66288 163.4429       7.311530  168.3477       9.128884  154.6671       12.21096  844.8382 22.97073 808.7028 32.09900 36.13544       39.47152 
1 1 1 11  3  18 o 1147.824 16.82546 310.4093       9.084722  311.4999       12.94524  309.3510       12.75241  1148.828 23.95441 1144.904 23.67847 3.924194       33.68210 
1 1 1 11  3  19 o 687.5359 17.75091 111.4275       5.740972  123.5397       8.694579  102.0647       7.644356  723.0814 25.56184 657.3336 24.72212 65.74780       35.56109 
1 1 1 11  3  20 o 247.5341 34.06362 14.81650       3.861307  13.10244       5.589609  16.38109       5.340341  228.9231 52.95903 258.0131 45.67191 -29.08998      69.93269 
1 1 1 11  3  21 o 361.5627 28.29543 31.18745       4.774099  23.07372       7.878369  35.89580       6.001507  303.5433 57.27547 387.0623 33.28553 -83.51898      66.24505 
1 1 1 11  3  22 o 818.5394 17.71462 158.2322       6.820885  163.1387       9.863790  153.7360       9.442380  829.3799 25.28255 805.2168 24.92868 24.16315       35.50559 
1 1 1 11  3  23 o 448.6350 25.96223 48.01414       5.455621  54.34017       6.743382  36.02854       9.282013  476.2034 30.26050 379.4534 53.48502 96.75000       61.45197 
1 1 1 11  3  24 o 205.4395 42.31789 10.62699       3.953439  7.252749       5.485037  14.27519       5.703366  172.8491 57.59222 235.6685 52.76126 -62.81941      78.10644 
1 1 1 11  3  25 o 121.1325 46.77714 2.562107       3.780417  8.479768       5.415317  -3.063279      5.279891  182.1828 56.93006 104.3370 47.77219 77.84576       74.31833 
1 1 1 11  3  26 o 349.6404 32.22769 29.85343       5.240876  37.42569       9.671568  26.70558       6.235777  378.9789 55.93280 326.6030 41.52732 52.37585       69.66345 
1 1 1 11  3  27 o 219.1198 45.49487 12.47372       4.535934  17.23246       7.978704  10.20124       5.513608  247.5093 66.92306 194.7469 56.72787 52.76242       87.73111 
1 1 1 11  3  28 o 153.8379 47.22300 6.148249       3.744897  12.66643       5.413917  0.1681935      5.185624  216.1959 53.52026 116.6635 50.71088 99.53241       73.72931 
1 1 1 11  3  29 o 95.70718 43.15419 -1.425319      4.108972  -1.599858      5.013916  -1.068371      7.170229  105.3827 47.57922 127.9927 57.41885 -22.61002      74.57014 
1 1 1 11  3  30 o 138.7534 51.56057 4.488718       4.489642  10.40725       7.329877  0.9349933      5.679778  190.8589 66.50760 123.6917 53.41798 67.16726       85.30382 
1 1 1 11  3  31 o 111.4464 45.14856 1.972699       3.681160  4.595366       5.098395  -0.8835652     5.320606  141.2424 54.38414 110.2132 49.45089 31.02920       73.50527 
1 1 1 11  3  32 o 77.38081 36.56443 -3.257042      3.501798  -0.1930025     4.942586  -6.345265      4.962052  108.6768 48.28383 84.79858 40.97715 23.87822       63.32815 
1 1 1 11  3  33 o 185.1425 45.88383 9.697198       3.975864  9.866232       6.620069  9.601830       4.972525  176.6835 63.05992 178.8355 54.32175 -2.152069      83.23104 
1 1 1 11  3  34 o 103.1709 45.02800 0.7861493      4.123949  -1.947682      5.565747  4.114150       6.140862  102.9432 47.81276 134.7555 56.77520 -31.81226      74.22589 
1 1 1 11  3  35 o 81.36112 40.04825 -8.029133      5.402080  -8.029133      5.402080  0.000000       0.000000  81.36112 40.04825 ?        ?        0.000000       40.04825 
1 1 1 11  5  0  o 614.0302 12.40417 88.75057       3.582836  91.91440       6.563839  87.40788       4.276040  624.3105 22.35054 609.2573 14.92010 15.05316       26.87296 
1 1 1 11  5  1  o 820.2444 11.48832 158.3552       4.432707  164.7146       9.387781  156.5306       5.028578  835.5742 23.88409 815.4183 13.10978 20.15582       27.24548 
1 1 1 11  5  2  o 738.6382 11.00919 128.4091       3.825219  130.9081       5.485644  126.0439       5.336780  745.5349 15.64193 731.5613 15.50812 13.97357       22.02662 
1 1 1 11  5  3  o 1397.263 14.95116 459.8054       9.827038  460.3148       13.94095  459.3022       13.85452  1397.096 21.21273 1395.578 21.10416 1.518311       29.92266 
1 1 1 11  5  4  o 832.9681 13.63770 163.3945       5.343660  177.2890       9.273167  156.4868       6.538397  866.7010 22.74518 814.8845 17.05713 51.81653       28.43042 
1 1 1 11  5  5  o 622.1301 18.00735 91.25916       5.269875  78.26992       7.171098  106.5101       7.770381  575.3284 26.49723 671.3879 24.60365 -96.05951      36.15858 
1 1 1 11  5  6  o 684.6220 12.21948 110.3848       3.935256  113.5193       5.634897  107.4006       5.498205  693.8221 17.26508 674.8590 17.31963 18.96307       24.45511 
1 1 1 11  5  7  o 579.8464 12.81210 79.20087       3.494641  83.28236       5.085533  75.54923       4.810282  594.1376 18.19617 565.8936 18.07034 28.24396       25.64446 
1 1 1 11  5  8  o 343.5262 23.14568 28.01192       3.718441  28.01192       3.718441  0.000000       0.000000  343.5262 23.14568 ?        ?        0.000000       23.14568 
1 1 1 11  5  9  o 447.4827 20.93878 47.25131       4.407547  47.25131       4.407547  0.000000       0.000000  447.4827 20.93878 ?        ?        0.000000       20.93878 
1 1 1 11  5  10 o 95.99877 37.11591 1.401936       2.382302  4.776244       3.487283  -1.550740      3.262141  143.2015 45.80346 86.09717 38.66933 57.10432       59.94392 
1 1 1 11  5  11 o 1340.333 16.00084 423.0428       10.08845  425.5822       14.36618  420.5722       14.17029  1343.531 22.73130 1335.625 22.55407 7.906372       32.02184 
1 1 1 11  5  12 o 277.1910 22.64623 18.23031       2.927075  18.09368       4.242199  18.35447       4.043934  274.7082 33.52387 277.0016 31.60065 -2.293365      46.07006 
1 1 1 11  5  13 o 1691.763 26.42760 675.0425       21.03133  0.000000       0.000000  675.0425       21.03133  ?        ?        1691.763 26.42760 0.000000       26.42760 
1 1 1 11  5  14 o 734.8243 15.45203 127.1260       5.341195  125.2210       7.611100  128.9744       7.497364  728.9163 22.19732 739.8035 21.54383 -10.88727      30.93311 
1 1 1 11  5  15 o 536.5167 17.19145 67.79263       4.338754  69.33912       6.252717  66.35651       6.025440  542.2302 24.51410 530.4613 24.14714 11.76886       34.40967 
1 1 1 11  5  16 o 820.5985 15.81993 158.5770       6.106673  157.5308       8.676405  159.6040       8.596429  817.3625 22.56606 822.7556 22.21150 -5.393066      31.66351 
1 1 1 11  5  17 o 989.4332 18.92885 230.7168       8.810085  232.0865       10.65965  227.7646       15.64980  991.9142 22.84543 980.9227 33.91600 10.99152       40.89265 
1 1 1 11  5  18 f 728.2522 16.98904 124.9687       5.819959  127.6650       8.349204  122.4204       8.117036  735.3792 24.13596 720.1349 23.96152 15.24426       34.01027 
1 1 1 11  5  19 o 465.3679 20.50708 51.09661       4.489205  56.50361       6.540202  46.27960       6.173083  487.8243 28.62629 441.1162 29.92655 46.70807       41.41332 
1 1 1 11  5  20 o 1222.317 24.77348 353.3468       14.24426  0.000000       0.000000  353.3468       14.24426  ?        ?        1222.317 24.77348 0.000000       24.77348 
1 1 1 11  5  21 o 741.7002 17.70817 129.8441       6.178335  120.6629       8.585935  139.7034       8.897354  713.6389 25.57642 768.0874 24.62526 -54.44849      35.50432 
1 1 1 11  5  22 o 592.3197 19.13356 82.94154       5.331154  85.74994       7.631582  80.26485       7.450462  600.7463 27.00562 581.1610 27.25319 19.58533       38.36718 
1 1 1 11  5  23 o 271.9370 36.26853 18.07865       4.523805  17.89366       5.657412  18.40666       7.533390  267.3566 46.68257 266.3787 61.38184 0.9779053      77.11674 
1 1 1 11  5  24 o 326.6013 28.04062 25.68182       4.266216  31.39664       6.163585  20.42577       5.911017  358.4536 37.09022 285.4399 45.55438 73.01367       58.74424 
1 1 1 11  5  25 o 291.6586 30.79522 20.70009       4.161122  25.81381       6.051015  16.11229       5.731413  322.2871 40.82871 249.9065 50.49216 72.38068       64.93414 
1 1 1 11  5  26 o 386.5021 28.13254 36.15876       5.079717  34.63139       8.504432  37.00591       6.333684  367.0394 50.60190 388.0363 35.07809 -20.99689      61.57130 
1 1 1 11  5  27 o 299.8105 30.28898 22.02976       4.213125  23.27600       5.864518  20.70053       6.056642  302.7149 42.34295 282.7357 47.20304 19.97919       63.41177 
1 1 1 11  5  28 o 405.8770 24.24158 39.79135       4.607187  35.09548       6.267640  45.31135       6.795405  375.2140 35.95053 427.9043 34.04121 -52.69037      49.51004 
1 1 1 11  5  29 o 288.5186 34.34050 20.84274       4.569132  15.90695       5.406735  33.17479       8.546227  244.1915 48.77600 351.5176 53.36091 -107.3261      72.29443 
1 1 1 11  5  30 o 500.1756 21.81715 60.24504       5.133219  55.24051       7.120865  65.65910       7.406492  471.5262 32.29848 515.5535 30.67863 -44.02728      44.54627 
1 1 1 11  5  31 o 207.8109 42.50933 11.51978       4.015389  12.24510       5.625335  10.76631       5.733444  206.0972 56.38906 192.4756 58.30007 13.62167       81.10872 
1 1 1 11  5  32 o 104.1164 46.76297 -0.7300555     4.770766  0.000000       0.000000  -0.7300555     4.770766  ?        ?        104.1164 46.76297 0.000000       46.76297 
1 1 1 11  5  33 f 119.9127 46.74808 3.254586       3.803461  -2.112664      5.877654  7.121240       4.988796  106.7654 49.42841 155.9419 54.83841 -49.17652      73.82695 
1 1 1 11  5  34 o 83.95533 39.67572 -3.110862      4.125299  8.727706       6.171092  -12.67539      5.546820  163.3717 60.50079 74.41882 37.27029 88.95286       71.05927 
1 1 1 11  5  35 f 146.4390 57.51380 7.006540       5.791053  7.006540       5.791053  0.000000       0.000000  146.4390 57.51380 ?        ?        0.000000       57.51380 
1 1 1 11  7  0  o 270.9775 13.86671 17.34106       1.761647  15.50146       2.949724  18.36099       2.196364  254.9210 24.91697 278.5934 16.83875 -23.67244      30.07323 
1 1 1 11  7  1  o 148.9747 23.25325 5.365564       1.576310  8.546374       3.861595  4.729576       1.726722  185.5467 44.75953 139.0174 27.37909 46.52925       52.46932 
1 1 1 11  7  2  o 396.7645 12.43360 37.07222       2.320593  41.88467       5.198438  35.87456       2.593326  419.9888 26.44782 390.2319 14.12749 29.75693       29.98455 
1 1 1 11  7  3  o 1041.040 14.30814 255.3492       7.006800  267.1522       12.10751  249.4057       8.591717  1063.097 24.21100 1028.366 17.76081 34.73022       30.02697 
1 1 1 11  7  4  o 528.7049 11.60733 65.82526       2.886789  71.26824       4.195699  60.93229       3.978062  549.8123 16.22260 508.3510 16.63560 41.46124       23.23610 
1 1 1 11  7  5  o 1244.259 14.26389 364.8125       8.348686  365.9528       11.84151  363.6855       11.77244  1245.034 20.21887 1241.184 20.16328 3.849976       28.55452 
1 1 1 11  7  6  o 674.7841 12.12514 107.2331       3.848761  107.1588       5.444550  107.3073       5.441391  674.1141 17.16956 674.5829 17.14768 -0.4688110     24.26596 
1 1 1 11  7  7  o 283.1656 17.84836 18.98061       2.365267  18.51705       3.351394  19.44065       3.338627  278.6793 25.86003 285.7109 25.09547 -7.031586      36.03503 
1 1 1 11  7  8  o 1373.860 17.96010 444.8718       11.60702  438.7592       14.19699  457.1938       20.15700  1363.649 22.13218 1389.927 30.82936 -26.27820      37.95105 
1 1 1 11  7  9  o 589.2820 16.13689 81.78402       4.473139  84.51018       5.422988  75.98098       7.912086  598.8529 19.25082 566.3011 29.80614 32.55182       35.48239 
1 1 1 11  7  10 o 1105.321 14.60965 287.6228       7.596218  281.9819       10.52914  293.7456       10.96975  1093.935 20.46125 1116.477 20.88707 -22.54224      29.23923 
1 1 1 11  7  11 o 871.6992 14.11798 178.8617       5.789065  183.5638       8.304505  174.4166       8.074296  882.7308 19.99936 860.4594 19.94826 22.27136       28.24726 
1 1 1 11  7  12 o 454.8257 18.24219 48.71821       3.902935  49.55411       6.134486  48.14974       5.058887  457.3877 28.65645 451.3257 23.91374 6.062073       37.32371 
1 1 1 11  7  13 o 1395.228 16.90666 458.3817       11.09615  473.2390       16.14626  445.0852       15.27464  1416.804 24.22661 1374.093 23.63120 42.71179       33.84320 
1 1 1 11  7  14 o 421.5728 18.77471 41.86472       3.723189  51.39634       5.513764  33.87601       5.047806  466.1405 25.23964 377.7706 28.61817 88.36996       38.15808 
1 1 1 11  7  15 o 1339.089 17.01065 422.3333       10.71518  424.0224       15.21695  420.6721       15.09095  1340.832 24.12592 1335.540 24.02096 5.291748       34.04507 
1 1 1 11  7  16 o 806.1412 16.06169 153.0576       6.090763  150.0138       8.483573  156.2955       8.749877  797.5508 22.61263 814.0546 22.84962 -16.50378      32.14711 
1 1 1 11  7  17 o 718.8175 16.75467 121.7324       5.665311  136.8043       8.328062  108.7497       7.729318  761.4271 23.25125 678.7874 24.20685 82.63977       33.56474 
1 1 1 11  7  18 o 284.1551 28.64665 19.28940       3.776875  29.84517       5.624720  10.62202       5.096828  353.1621 34.28992 206.6186 52.37116 146.5435       62.59822 
1 1 1 11  7  19 o 1059.890 19.24546 265.0216       9.595298  302.0214       17.69794  249.6176       11.41932  1128.035 33.35269 1027.838 23.61818 100.1974       40.86833 
1 1 1 11  7  20 o 740.9752 17.49667 129.5341       6.098575  122.8973       8.548352  136.4133       8.703103  720.5507 25.22021 759.3004 24.36639 -38.74969      35.06821 
1 1 1 11  7  21 o 446.6554 25.95255 47.47461       5.429321  46.01665       10.38480  48.02302       6.369103  432.2255 52.12832 448.2788 30.38315 -16.05334      60.33654 
1 1 1 11  7  22 o 303.8310 32.64588 22.31032       4.592664  22.21692       5.780069  22.47028       7.564003  300.5995 42.02581 297.6690 56.07645 2.930481       70.07665 
1 1 1 11  7  23 o 581.8632 19.50192 80.20095       5.337865  72.98121       7.402901  88.01964       7.703853  552.0971 28.60283 607.6037 26.95369 -55.50659      39.30169 
1 1 1 11  7  24 o 169.4381 51.25994 7.259486       4.434311  9.260195       5.336664  2.797563       7.969646  189.5973 55.97734 157.5174 65.39713 32.07997       86.08279 
1 1 1 11  7  25 o 385.0283 24.56249 35.57667       4.425515  36.54624       6.359301  34.66616       6.162580  386.1995 35.39877 376.1255 35.24142 10.07391       49.95028 
1 1 1 11  7  26 o 261.9505 32.95726 16.93334       3.971164  18.02527       5.646903  15.86494       5.585745  264.3703 47.13605 246.3973 49.90295 17.97299       68.64482 
1 1 1 11  7  27 o 121.4494 48.77887 2.264971       4.257046  8.032105       7.831185  -0.1540655     5.071877  181.0087 67.93163 114.2158 49.88965 66.79295       84.28336 
1 1 1 11  7  28 o 139.9182 50.43277 4.597627       4.244244  5.626582       5.165073  2.458383       7.447463  152.9548 55.55780 146.5886 62.18318 6.366180       83.38715 
1 1 1 11  7  29 o 222.6087 40.08344 12.80146       4.042996  11.54848       5.427104  14.36399       6.060510  204.1752 55.18925 226.9875 56.87542 -22.81230      79.25066 
1 1 1 11  7  30 o 142.2026 52.35435 4.884139       4.608833  6.839653       5.433355  -0.1324911     8.702494  161.0071 57.16467 140.7509 63.19172 20.25618       85.21146 
1 1 1 11  7  31 o 132.2399 49.64364 4.113712       4.182858  6.412010       7.173099  2.929519       5.148905  160.7165 63.72610 129.3568 53.01862 31.35970       82.89747 
1 1 1 11  7  32 o 265.6170 33.98348 18.15062       4.148777  15.84126       7.103132  19.34637       5.111230  224.0515 64.13627 268.7819 41.78258 -44.73041      76.54571 
1 1 1 11  7  33 o 92.65551 42.58119 -1.638286      4.248426  0.000000       0.000000  -1.638286      4.248426  ?        ?        92.65551 42.58119 0.000000       42.58119 
1 1 1 11  7  34 o 257.0336 37.30466 17.91506       4.378720  27.38704       6.567702  10.33591       5.874940  307.6558 46.86187 175.3146 59.60298 132.3412       75.81920 
1 1 1 11  9  0  o 657.5502 10.68044 101.7982       3.303600  110.0018       5.466629  97.07864       4.146392  682.9965 17.01500 641.9128 13.73172 41.08362       21.86482 
1 1 1 11  9  1  o 504.1627 12.45685 59.86500       2.954257  64.59573       6.088909  58.40848       3.378570  522.6538 24.76601 497.8761 14.42588 24.77771       28.66115 
1 1 1 11  9  2  o 218.8008 19.26193 11.38206       1.962311  0.000000       0.000000  11.38206       1.962311  ?        ?        218.8008 19.26193 0.000000       19.26193 
1 1 1 11  9  3  o 340.6488 16.19267 27.35072       2.594745  0.000000       0.000000  27.35072       2.594745  ?        ?        340.6488 16.19267 0.000000       16.19267 
1 1 1 11  9  4  o 1023.553 14.38300 246.7934       6.925151  252.1701       11.53964  243.7672       8.657400  1033.263 23.74170 1016.799 18.10019 16.46442       29.85440 
1 1 1 11  9  5  o 357.4152 15.61307 30.09469       2.625008  33.69619       3.394303  24.73544       4.140580  377.5587 19.17454 322.3174 27.57458 55.24127       33.58601 
1 1 1 11  9  6  o 504.8696 12.73687 60.00653       3.024902  60.67100       4.211984  59.29881       4.346921  507.4420 17.64538 501.6309 18.42163 5.811096       25.50914 
1 1 1 11  9  7  o 1651.732 19.95462 642.9108       15.50431  645.8947       19.21095  637.3365       26.25733  1654.722 24.68053 1641.568 34.00341 13.15393       42.01619 
1 1 1 11  9  8  o 2303.814 22.65942 1251.081       24.55645  1251.665       34.70004  1250.495       34.75616  2301.835 32.04693 2300.738 32.11406 1.096924       45.36870 
1 1 1 11  9  9  o 688.9669 13.31013 111.7217       4.313699  110.2856       6.030686  113.2263       6.172780  684.2914 18.73511 693.3449 18.92614 -9.053467      26.63087 
1 1 1 11  9  10 o 1350.398 18.65739 429.4681       11.85173  442.2706       14.64516  405.1725       20.17484  1369.945 22.72593 1309.866 32.74266 60.07935       39.85662 
1 1 1 11  9  11 o 2547.295 24.99010 1529.752       29.94446  1551.915       43.03613  1508.953       41.69161  2562.543 35.70201 2527.036 35.07260 35.50708       50.04719 
1 1 1 11  9  12 o 644.7545 14.77276 97.86002       4.480489  96.39063       6.312012  99.35231       6.361009  639.6133 20.97882 649.3737 20.82390 -9.760315      29.55919 
1 1 1 11  9  13 o 1025.166 15.18206 247.4329       7.321400  252.8060       10.45833  242.2690       10.25277  1035.726 21.46587 1013.909 21.49677 21.81720       30.37918 
1 1 1 11  9  14 o 808.2733 18.20606 153.8967       6.922187  174.2271       13.92510  147.2239       7.977697  858.2856 34.49031 790.3178 21.45885 67.96783       40.62098 
1 1 1 11  9  15 o 2276.279 26.73919 1223.200       28.63143  1249.312       36.14983  1179.251       46.89883  2298.054 33.44080 2227.613 44.75619 70.44189       55.86952 
1 1 1 11  9  16 o 495.2609 18.68386 57.80821       4.352812  52.81789       5.960109  63.51236       6.372139  472.1250 26.94836 517.9529 26.23888 -45.82791      37.61241 
1 1 1 11  9  17 o 1190.992 16.83343 334.2553       9.430844  344.4571       13.65850  324.9600       13.03761  1207.845 24.03934 1173.241 23.62335 34.60388       33.70390 
1 1 1 11  9  18 o 741.1369 19.91262 129.5946       6.942185  124.6323       8.175639  142.4198       13.14352  726.3083 23.92938 774.2028 36.09008 -47.89447      43.30253 
1 1 1 11  9  19 o 1159.650 17.10650 317.1769       9.331629  330.3085       13.58719  305.4528       12.83845  1181.703 24.44285 1136.484 24.01485 45.21936       34.26611 
1 1 1 11  9  20 o 739.6893 17.25120 129.1368       6.002581  135.3415       8.684873  123.4621       8.305679  755.9324 24.42368 721.9888 24.45544 33.94366       34.56276 
1 1 1 11  9  21 o 346.7966 24.92424 28.68251       4.038869  29.76295       5.861945  27.70607       5.572676  350.7301 36.04308 338.4045 35.53800 12.32553       50.61673 
1 1 1 11  9  22 f 345.8310 25.35515 28.59103       4.096015  30.07135       5.772278  27.08965       5.813219  352.1218 35.32481 333.3095 37.74175 18.81232       51.69412 
1 1 1 11  9  23 o 137.7436 46.34555 4.433739       3.551723  9.487517       5.063631  -0.4606236     4.983128  192.1266 53.85917 113.8962 49.60865 78.23042       73.22451 
1 1 1 11  9  24 o 123.1500 45.77100 3.035269       3.538322  1.207614       4.998347  4.871132       5.009559  123.1803 51.51982 149.5662 54.65570 -26.38585      75.11018 
1 1 1 11  9  25 f 127.3707 51.93736 2.103094       4.909342  -3.885256      6.290977  11.42985       7.851085  111.5477 51.46423 207.0484 68.89912 -95.50069      85.99800 
1 1 1 11  9  26 o 312.5879 28.84909 23.81142       4.194167  19.19706       5.959205  28.34080       5.904075  271.9424 48.35656 337.2274 37.87344 -65.28500      61.42275 
1 1 1 11  9  27 o 100.2576 42.69535 0.4242646      3.535046  2.319059       5.128245  -1.291269      4.879635  129.2269 52.93261 106.1479 47.51089 23.07899       71.12767 
1 1 1 11  9  28 o 169.6707 50.79834 7.677399       4.371515  16.37337       8.453999  4.503576       5.107337  235.9330 70.64349 143.6870 54.64645 92.24599       89.31258 
1 1 1 11  9  29 o 98.83959 42.98404 -0.1645491E-01 3.729331  8.017652       5.354233  -7.586802      5.197403  171.9455 56.88279 85.42131 41.43991 86.52419       70.37697 
1 1 1 11  9  30 o 128.0429 49.50365 3.457604       4.237808  3.766350       7.270037  3.298703       5.215547  148.3194 62.09268 133.3431 53.83797 14.97632       82.18289 
1 1 1 11  9  31 o 94.21188 43.95863 -3.135859      4.791570  -1.645957      6.271011  -5.225922      7.427427  114.6142 52.32024 112.2002 53.08886 2.413918       74.53747 
1 1 1 11  9  32 o 221.6413 40.98900 13.25938       4.116127  15.37456       6.814923  12.04461       5.164566  220.5345 62.71532 202.0523 53.49555 18.48224       82.43170 
1 1 1 11  9  33 f 84.92187 39.87878 -2.800219      4.050578  2.581451       6.028458  -7.229489      5.469073  127.2364 54.99086 85.91082 41.86497 41.32553       69.11346 
1 1 1 11  9  34 o 115.1849 46.85584 2.948269       3.983606  2.941142       5.691635  2.955113       5.577440  124.0075 53.51420 123.5235 53.14071 0.4839935      75.41687 
1 1 1 11  11 0  o 717.7247 10.63181 121.2300       3.589503  135.4076       5.954813  113.1383       4.498689  758.2066 16.69595 693.2192 13.79577 64.98737       21.65821 
1 1 1 11  11 1  o 346.7182 12.74346 28.29770       2.078421  30.73722       5.465924  27.88534       2.247224  359.0645 32.72017 344.1563 13.88102 14.90820       35.54283 
1 1 1 11  11 2  o 51.57931 24.10467 -1.433865      1.449805  0.000000       0.000000  -1.433865      1.449805  ?        ?        51.57931 24.10467 0.000000       24.10467 
1 1 1 11  11 3  o 887.3851 12.04389 185.3318       5.027457  189.5066       11.28817  184.2988       5.615108  896.1609 26.77739 884.8344 13.49046 11.32648       29.98368 
1 1 1 11  11 4  f 994.0098 13.08181 232.5609       6.116848  239.8930       13.30287  230.5951       6.888225  1008.239 28.04870 989.6992 14.79568 18.53979       31.71185 
1 1 1 11  11 5  o 1206.712 13.99963 342.7569       7.946748  356.0779       11.56046  330.8233       10.94184  1229.438 19.98936 1185.072 19.62802 44.36646       28.01488 
1 1 1 11  11 6  o 1653.637 19.83151 644.1194       15.42642  655.0028       19.40802  625.4459       25.42221  1666.857 24.75219 1627.308 33.21040 39.54944       41.41982 
1 1 1 11  11 7  o 1705.341 17.87630 684.8077       14.34030  682.3962       20.12807  687.2935       20.43593  1701.365 25.14984 1707.413 25.44407 -6.047607      35.77591 
1 1 1 11  11 8  o 445.1639 14.14057 46.64358       2.961121  40.71717       3.943415  54.30532       4.483742  415.7683 20.16285 480.1684 19.85079 -64.40009      28.29477 
1 1 1 11  11 9  o 694.4756 13.21197 113.5088       4.316123  116.6095       6.037947  110.2689       6.172102  703.6942 18.24047 684.2516 19.17556 19.44263       26.46539 
1 1 1 11  11 10 o 1662.870 18.03933 651.1710       14.11068  656.0151       20.02648  646.3949       19.88530  1668.007 25.52333 1655.731 25.53131 12.27637       36.10108 
1 1 1 11  11 11 o 1127.628 20.74101 299.5910       11.00183  295.3924       14.34485  305.5886       17.14473  1118.990 27.25215 1137.484 32.04173 -18.49463      42.06366 
1 1 1 11  11 12 o 959.4318 16.58850 216.7648       7.486703  216.9035       9.426585  216.5280       12.32092  959.4018 20.88741 957.9214 27.34287 1.480347       34.40808 
1 1 1 11  11 13 o 484.4692 16.69198 55.27721       3.804024  59.44434       5.402810  51.18061       5.356888  502.1073 22.87462 465.1694 24.56831 36.93787       33.56858 
1 1 1 11  11 14 o 445.2687 19.79960 46.72773       4.147132  48.97892       5.263944  43.04400       6.733635  454.9457 24.68946 425.1823 33.95016 29.76349       41.97836 
1 1 1 11  11 15 o 1482.863 21.08491 518.5302       14.70761  509.8098       26.48066  522.4202       17.68640  1465.924 38.40149 1487.569 25.27512 -21.64441      45.97288 
1 1 1 11  11 16 o 1079.111 16.14549 274.3654       8.195709  279.8217       11.67399  269.0626       11.50875  1088.846 22.79204 1067.688 22.91471 21.15820       32.31967 
1 1 1 11  11 17 o 461.4063 19.12943 50.21736       4.151976  54.94489       5.930696  45.67312       5.814587  481.3173 26.29370 438.3865 28.34810 42.93082       38.66489 
1 1 1 11  11 18 o 341.6078 26.32553 27.78738       4.197724  32.78835       6.991534  24.96845       5.249129  368.2794 41.05646 322.0873 35.21925 46.19214       54.09278 
1 1 1 11  11 19 o 869.2867 19.84510 178.5373       8.114946  181.1115       9.692519  172.5030       14.83975  874.7249 23.55570 849.6924 37.12748 25.03241       43.96955 
1 1 1 11  11 20 o 145.8058 45.38937 5.131767       3.445994  4.768692       4.812133  5.513930       4.937009  149.8151 53.73271 156.9565 54.58896 -7.141403      76.59738 
1 1 1 11  11 21 o 169.0166 44.09266 7.188879       3.542418  13.20817       5.025539  1.244710       4.994081  228.6207 48.24644 124.7658 51.78154 103.8549       70.77462 
1 1 1 11  11 22 o 344.3258 30.78313 28.62144       4.933413  10.35969       9.124631  36.16492       5.864489  207.6146 74.04076 386.8052 32.53272 -179.1907      80.87282 
1 1 1 11  11 23 o 144.5993 45.70644 5.134213       3.480419  14.33793       5.182374  -2.427503      4.697398  236.7638 48.17040 100.1953 45.56119 136.5685       66.30392 
1 1 1 11  11 24 o 524.9071 21.87958 65.66005       5.402451  59.30441       8.714243  69.62781       6.885293  491.1504 38.01380 537.9398 27.29889 -46.78946      46.80041 
1 1 1 11  11 25 o 349.8724 25.89746 29.55203       4.231946  28.45617       5.914702  30.70148       6.057605  338.4536 37.79593 351.9935 37.14548 -13.53992      52.99357 
1 1 1 11  11 26 o 191.4206 42.31378 9.475198       3.708801  7.576815       5.224472  11.40377       5.265846  170.9238 56.17220 206.1328 53.75089 -35.20901      77.74622 
1 1 1 11  11 27 o 183.0592 51.94862 8.978838       4.680950  5.978194       5.548413  16.38823       8.718721  157.8057 57.54243 236.9971 71.91727 -79.19135      92.10442 
1 1 1 11  11 28 o 326.7321 28.01423 26.12917       4.264019  26.00116       6.177574  26.24566       5.892957  318.2826 42.30894 321.2715 39.84893 -2.988922      58.12043 
1 1 1 11  11 29 o 219.2855 52.14417 13.23735       5.300136  0.000000       0.000000  13.23735       5.300136  ?        ?        219.2855 52.14417 0.000000       52.14417 
1 1 1 11  11 30 o 103.0781 44.47019 0.4469591      3.928243  -3.216409      6.297681  2.780038       5.025798  109.8185 50.95543 128.0198 52.41543 -18.20131      73.10152 
1 1 1 11  11 31 o 115.4967 45.49655 2.665220       3.633973  9.304400       6.170614  -0.8600277     4.496411  176.6987 61.05320 100.7406 45.30936 75.95811       76.02915 
1 1 1 11  11 32 o 89.12481 40.73964 -1.426845      3.818380  2.135850       5.759274  -4.221166      5.100543  125.0798 53.90440 91.93121 43.64238 33.14862       69.35662 
1 1 1 11  11 33 o 99.78410 42.97917 0.9438206      3.657202  1.704221       5.355401  0.2793104      5.006354  117.5694 51.31221 107.8138 48.19965 9.755524       70.39993 
1 1 1 11  13 0  o 1525.490 17.89581 547.9695       12.84193  605.2319       24.92244  527.2699       14.98432  1600.998 33.09257 1496.044 21.29234 104.9540       39.35075 
1 1 1 11  13 1  o 1206.922 29.14415 343.6385       16.54626  343.6385       16.54626  0.000000       0.000000  1206.922 29.14415 ?        ?        0.000000       29.14415 
1 1 1 11  13 2  f 1194.779 13.35004 335.9588       7.503077  369.7979       17.99596  328.8388       8.254772  1251.848 30.56005 1181.963 14.84677 69.88489       33.97563 
1 1 1 11  13 3  o 2065.539 23.47508 1005.403       22.80918  1093.639       44.62378  974.1971       26.53788  2149.047 44.14191 2032.454 27.75723 116.5927       52.14376 
1 1 1 11  13 4  f 225.9776 24.05007 12.17041       2.517242  19.25387       5.925676  10.61068       2.780605  281.4458 46.37379 210.1436 28.89334 71.30220       54.63839 
1 1 1 11  13 5  o 608.1248 14.81637 87.04748       4.238417  93.04401       8.782130  85.22665       4.839310  627.9976 29.72847 601.6547 17.09885 26.34290       34.29508 
1 1 1 11  13 6  o 1371.369 15.28565 442.6978       9.860698  449.0577       13.99091  436.4204       13.89980  1380.622 21.54280 1361.039 21.71044 19.58276       30.58489 
1 1 1 11  13 7  o 502.4861 12.85500 59.42239       3.038544  57.51743       3.979912  62.08444       4.704772  494.2505 17.11816 513.4169 19.48046 -19.16632      25.93298 
1 1 1 11  13 8  o 766.6681 12.62179 138.3306       4.551951  134.0867       6.145391  143.4894       6.775499  754.6137 17.31233 780.5630 18.45288 -25.94928      25.30268 
1 1 1 11  13 9  o 216.5446 22.66262 11.17186       2.274288  11.87718       3.016339  10.24260       3.462223  222.3939 29.56559 204.9760 37.28065 17.41791       47.58120 
1 1 1 11  13 10 o 917.1364 15.35574 198.0361       6.624819  200.5648       10.44430  196.3338       8.569304  922.2972 24.07350 912.8698 19.95572 9.427429       31.26922 
1 1 1 11  13 11 o 774.6447 13.81802 141.2619       5.035211  137.2261       6.941813  145.7426       7.314523  763.1789 19.33648 786.4740 19.77117 -23.29510      27.65499 
1 1 1 11  13 12 o 1153.428 18.05190 313.4193       9.794511  315.7177       11.67786  307.9667       17.98625  1157.263 21.45170 1141.090 33.50824 16.17334       39.78665 
1 1 1 11  13 13 o 645.9819 16.56350 98.29562       5.033172  95.80914       6.249990  102.8835       8.489708  637.4795 20.84221 660.0291 27.34390 -22.54956      34.38149 
1 1 1 11  13 14 o 584.7098 15.62366 80.53265       4.297269  82.22268       5.944183  78.68232       6.219687  590.4251 21.40218 577.4567 22.89707 12.96844       31.34213 
1 1 1 11  13 15 o 546.7886 16.48520 70.45451       4.240168  69.07759       5.853776  71.97443       6.150206  540.9296 23.00520 552.0942 23.68139 -11.16461      33.01587 
1 1 1 11  13 16 o 566.7827 21.09352 75.83418       5.623864  75.53508       11.35135  75.93149       6.474297  560.7644 43.36981 566.8089 24.28212 -6.044495      49.70475 
1 1 1 11  13 17 o 578.5621 18.59039 78.99852       5.059503  88.73366       8.115795  72.80978       6.470849  611.8234 28.19913 554.7030 24.79884 57.12042       37.55228 
1 1 1 11  13 18 o 469.8632 19.11226 52.14907       4.224282  57.48106       6.088856  47.20114       5.865477  491.6483 26.42457 445.0378 28.16324 46.61047       38.61898 
1 1 1 11  13 19 o 439.1559 22.31500 45.79222       4.594675  43.40072       7.062207  47.54745       6.050239  424.3669 35.70963 446.0891 28.98974 -21.72223      45.99546 
1 1 1 11  13 20 o 739.1409 24.53256 129.7763       8.529810  129.7763       8.529810  0.000000       0.000000  739.1409 24.53256 ?        ?        0.000000       24.53256 
1 1 1 11  13 21 o 171.1862 43.42456 7.413342       3.502222  10.43498       4.868501  4.172729       5.041826  201.7564 51.20972 145.3937 54.51846 56.36278       74.79771 
1 1 1 11  13 22 o 178.3767 51.58949 8.140401       4.574603  6.135553       8.964869  8.846224       5.319258  181.0198 71.41106 185.7779 56.12871 -4.758133      90.82935 
1 1 1 11  13 23 o 354.9026 30.23629 30.54390       4.999728  43.75743       11.46620  27.44179       5.555703  408.1126 61.64845 334.2012 35.90241 73.91144       71.34083 
1 1 1 11  13 24 o 83.77056 38.34577 -2.055465      3.398818  -4.680511      4.771974  0.6473035      4.842103  91.07603 42.92846 117.3627 49.97403 -26.28665      65.88062 
1 1 1 11  13 25 o 123.2871 46.20581 3.091441       3.620655  6.418417       5.281656  0.1419214      4.973029  161.6573 56.44873 115.3250 49.89410 46.33237       75.33845 
1 1 1 11  13 26 o 343.0841 36.92174 29.33682       5.864889  29.33682       5.864889  0.000000       0.000000  343.0841 36.92174 ?        ?        0.000000       36.92174 
1 1 1 11  13 27 o 263.5861 31.64071 17.21215       3.844780  12.00928       5.374383  22.66615       5.502563  210.0237 54.07518 298.7037 40.18027 -88.67998      67.36898 
1 1 1 11  13 28 o 133.0784 46.51996 4.300623       3.587540  12.63040       5.086803  -3.942890      5.060396  215.5505 50.96946 95.80728 44.85689 119.7433       67.89718 
1 1 1 11  13 29 o 371.3013 33.39553 34.55435       5.770496  0.000000       0.000000  34.55435       5.770496  ?        ?        371.3013 33.39553 0.000000       33.39553 
1 1 1 11  13 30 o 234.3877 36.32291 14.20864       3.875260  15.33888       6.341383  13.53497       4.895796  228.1907 58.73148 221.2822 48.38236 6.908447       76.09363 
1 1 1 11  13 31 o 103.7463 44.30968 0.9592133      3.827534  0.6043401      5.513894  1.289239       5.317357  116.6645 51.45487 118.6691 51.46646 -2.004532      72.77637 
1 1 1 11  13 32 o 183.3219 56.20931 10.47563       5.307511  10.47563       5.307511  0.000000       0.000000  183.3219 56.20931 ?        ?        0.000000       56.20931 
1 1 1 11  15 0  f 713.8794 12.26080 119.9306       4.117303  128.9834       7.788133  116.4191       4.850555  739.8538 22.37784 703.2667 14.66230 36.58704       26.75352 
1 1 1 11  15 1  o 536.9338 11.27007 67.83968       2.846536  93.82587       5.695770  59.18855       3.286378  631.1718 19.18384 501.4690 13.93170 129.7028       23.70890 
1 1 1 11  15 2  o 1578.206 18.93372 586.5995       14.05623  611.7717       26.78889  577.0364       16.51179  1609.059 35.39268 1564.871 22.43087 44.18823       41.90210 
1 1 1 11  15 3  o 1408.171 17.91914 466.9499       11.86976  493.7575       22.84164  457.0327       13.89288  1445.855 33.58408 1392.803 21.20476 53.05164       39.71816 
1 1 1 11  15 4  o 1581.904 19.52160 589.4241       14.52663  629.6077       28.08920  574.7529       16.97258  1631.977 36.58946 1561.641 23.10455 70.33655       43.27365 
1 1 1 11  15 5  o 918.7934 18.36457 198.8131       7.937210  208.0856       13.21391  193.5791       9.927760  938.9575 29.91687 906.2571 23.28791 32.70038       37.91235 
1 1 1 11  15 6  f 1581.745 19.89668 589.3904       14.80425  577.2890       26.26629  595.0245       17.92211  1562.662 35.73257 1588.716 23.98134 -26.05371      43.03396 
1 1 1 11  15 7  o 666.9531 15.78350 104.7329       4.951855  113.1094       10.18978  102.1431       5.665872  692.0534 31.30083 658.5377 18.29013 33.51575       36.25287 
1 1 1 11  15 8  o 647.3533 18.43255 98.71245       5.613013  0.000000       0.000000  98.71245       5.613013  ?        ?        647.3533 18.43255 0.000000       18.43255 
1 1 1 11  15 9  o 1204.245 16.39818 341.5194       9.289232  335.6124       14.62417  345.5148       12.02723  1192.641 26.06708 1210.768 21.11717 -18.12683      33.54739 
1 1 1 11  15 10 o 791.0768 13.37759 147.3219       4.978127  149.6216       6.914192  144.8466       7.173220  796.9047 18.44445 784.0105 19.45015 12.89417       26.80496 
1 1 1 11  15 11 o 844.0381 13.70491 167.7298       5.441363  162.4898       7.374479  173.9921       8.061882  830.3663 18.87958 859.1566 19.94779 -28.79022      27.46549 
1 1 1 11  15 12 o 233.3538 24.19962 12.98980       2.617774  13.30060       3.447031  12.56631       4.023688  234.9488 32.02324 226.9642 39.09871 7.984573       50.53907 
1 1 1 11  15 13 o 510.3466 18.44357 61.40119       4.427714  59.79866       4.943922  67.89537       9.952480  503.4789 20.87474 532.9271 39.99196 -29.44818      45.11221 
1 1 1 11  15 14 f 719.3309 14.91804 121.9141       5.047888  116.5235       6.796622  128.5457       7.538455  702.6975 20.56153 737.9169 21.71729 -35.21942      29.90681 
1 1 1 11  15 15 o 430.1035 18.05141 43.63963       3.652191  39.67040       4.707171  49.64300       5.789018  408.8301 24.59081 457.1042 27.04311 -48.27414      36.55185 
1 1 1 11  15 16 o 535.7191 41.62629 69.14388       10.40760  0.000000       0.000000  69.14388       10.40760  ?        ?        535.7191 41.62629 0.000000       41.62629 
1 1 1 11  15 17 o 646.1819 20.21092 98.71221       6.143420  97.80025       12.32695  99.01357       7.086141  636.7707 41.37762 646.6255 23.29634 -9.854797      47.48501 
1 1 1 11  15 18 o 521.7419 17.68427 64.31727       4.340225  61.83536       5.967926  67.10374       6.323506  510.4470 24.85441 531.6649 25.28428 -21.21790      35.45472 
1 1 1 11  15 19 o 158.1847 44.69624 6.253486       3.472953  5.774267       4.387960  7.057076       5.682152  155.9125 51.49079 172.8166 58.61753 -16.90413      78.02126 
1 1 1 11  15 20 o 543.2570 18.25085 69.86913       4.663992  68.97672       6.460214  70.84064       6.740471  538.1063 25.52170 545.1188 26.28632 -7.012451      36.63779 
1 1 1 11  15 21 o 494.3042 19.33814 57.95633       4.496539  63.27495       6.384653  52.72211       6.333785  513.9427 26.49928 468.1912 28.90009 45.75153       39.21004 
1 1 1 11  15 22 o 282.5776 27.92665 19.33451       3.663576  14.79135       5.073803  24.28329       5.295459  240.6003 46.51270 314.0411 36.52909 -73.44084      59.14225 
1 1 1 11  15 23 o 219.5241 34.48793 11.97551       3.443967  6.881067       4.710643  17.82537       5.047832  164.9965 53.28321 265.9619 41.72004 -100.9655      67.67320 
1 1 1 11  15 24 f 320.9400 31.83651 25.22202       4.742966  10.63615       9.038139  30.76532       5.571814  202.7137 73.51424 353.8543 33.88809 -151.1406      80.94904 
1 1 1 11  15 25 o 124.3553 46.66232 3.162236       3.694722  1.620171       4.527481  6.236624       6.392704  119.7196 49.46347 164.4949 61.44637 -44.77525      78.88150 
1 1 1 11  15 26 o 182.6201 44.43645 8.742356       3.781027  10.09513       6.003395  7.852967       4.867781  192.3764 59.91317 172.2176 54.00135 20.15881       80.65813 
1 1 1 11  15 27 o 135.5139 52.56091 3.723868       4.789302  3.723868       4.789302  0.000000       0.000000  135.5139 52.56091 ?        ?        0.000000       52.56091 
1 1 1 11  15 28 o 237.6993 37.59798 14.48765       4.064145  17.57134       6.627463  12.62914       5.145098  249.6859 57.60008 214.2568 51.65293 35.42906       77.36792 
1 1 1 11  15 29 o 157.0892 45.32502 6.689047       3.534842  8.153984       5.626091  5.733584       4.543640  170.3380 58.32497 148.1250 52.30894 22.21307       78.34557 
1 1 1 11  15 30 o 163.6453 48.97653 7.542849       4.064127  0.000000       0.000000  7.542849       4.064127  ?        ?        163.6453 48.97653 0.000000       48.97653 
1 1 1 11  15 31 o 92.57460 41.06691 -0.2446538     3.562256  -3.255054      5.195858  2.425387       4.893325  96.27383 45.19564 121.0013 50.81474 -24.72751      68.00576 
1 1 1 11  17 0  o 901.9611 12.01727 191.4642       5.098740  207.2058       7.939494  180.4152       6.651651  937.9414 17.99483 875.3276 16.15435 62.61383       24.18217 
1 1 1 11  17 1  o 1514.065 16.05530 539.7762       11.43490  578.1409       17.85030  513.0754       14.89161  1565.831 24.23435 1475.495 21.45530 90.33545       32.36717 
1 1 1 11  17 2  f 1411.041 17.72263 468.9360       11.76352  474.4352       22.03888  466.7451       13.91088  1416.887 33.06625 1407.350 21.01275 9.536621       39.17796 
1 1 1 11  17 3  o 380.2643 16.16764 34.04963       2.892021  55.55886       7.262276  29.99575       3.152796  483.8726 32.08807 356.3384 18.87621 127.5341       37.22842 
1 1 1 11  17 4  o 509.7725 17.80085 61.20884       4.268610  52.05113       7.411115  65.75506       5.221745  468.0095 33.89304 528.2161 21.01526 -60.20660      39.87955 
1 1 1 11  17 5  o 901.8574 15.31740 191.5095       6.498188  193.4899       12.57839  190.7885       7.589412  905.1639 29.54123 899.9763 17.92701 5.187622       34.55519 
1 1 1 11  17 6  o 422.7796 17.43987 42.10255       3.468379  42.56837       7.579224  41.97916       3.900782  422.1783 38.59130 422.0758 19.64680 0.1024475      43.30457 
1 1 1 11  17 7  o 1195.686 17.43093 336.7810       9.804081  337.3960       18.12962  336.5268       11.65535  1194.532 32.26424 1194.850 20.73684 -0.3176270     38.35359 
1 1 1 11  17 8  o 337.7764 21.84035 27.01583       3.451650  31.95601       8.762737  26.10855       3.755251  362.2062 52.99776 331.7685 24.22972 30.43768       58.27386 
1 1 1 11  17 9  o 270.9780 17.93483 17.37871       2.273201  18.08403       2.862806  16.17512       3.739699  275.9983 22.23908 259.6620 31.24387 16.33627       38.35044 
1 1 1 11  17 10 o 741.8710 17.08334 129.6910       5.961705  122.0868       11.20597  132.6929       7.040796  717.9325 33.18155 750.1522 19.95277 -32.21967      38.71858 
1 1 1 11  17 11 o 545.5674 13.88095 70.10259       3.562352  70.03452       4.783648  70.18733       5.337605  545.0001 18.65921 545.4298 20.80359 -0.4296875     27.94558 
1 1 1 11  17 12 f 521.8113 15.84066 64.17236       3.888266  66.29999       4.781337  60.01784       6.681324  530.1411 19.17293 502.7286 28.36856 27.41254       34.23999 
1 1 1 11  17 13 o 97.04899 37.64942 1.425648       2.457711  4.231387       3.118719  -3.172107      3.992321  134.6366 43.34197 88.50944 40.89209 46.12711       59.58766 
1 1 1 11  17 14 o 900.1783 17.35519 191.1908       7.348984  185.1078       8.349893  212.0987       15.48021  885.2754 20.05087 943.6155 34.87485 -58.34015      40.22800 
1 1 1 11  17 15 o 1021.073 15.32099 245.9103       7.358902  231.2534       9.758522  265.2338       11.20487  988.9607 20.97663 1058.712 22.49882 -69.75085      30.76062 
1 1 1 11  17 16 o 93.37397 38.74487 0.5674046      2.795141  3.640548       3.787434  -3.108415      4.142198  132.4109 47.65075 90.58380 41.78098 41.82712       63.37385 
1 1 1 11  17 17 o 100.5861 40.03505 1.321815       2.841000  1.109450       3.783446  1.596363       4.301856  110.5414 45.39376 119.9874 48.73719 -9.445992      66.60261 
1 1 1 11  17 18 o 230.3009 38.23915 13.11260       3.997303  13.73662       8.220153  12.91934       4.574606  229.7936 69.85296 226.8120 44.46583 2.981567       82.80487 
1 1 1 11  17 19 o 187.7181 36.91522 8.792468       3.143557  6.884929       4.210426  11.19507       4.725313  165.7145 49.90786 209.2182 48.89273 -43.50374      69.86626 
1 1 1 11  17 20 o 317.4286 23.32542 24.12051       3.458535  24.09843       4.663261  24.14750       5.155987  314.9134 31.92066 314.0560 35.52550 0.8573914      47.75971 
1 1 1 11  17 21 o 122.8758 42.98223 3.384960       3.062885  1.144637       4.002328  6.551437       4.758232  112.1397 46.43318 162.7990 53.61227 -50.65935      70.92472 
1 1 1 11  17 22 o 109.3807 43.93503 1.617565       3.453850  0.9777052      5.060264  2.175642       4.725831  121.8800 51.45444 126.4151 51.17533 -4.535118      72.57047 
1 1 1 11  17 23 o 78.85697 36.29874 -2.124410      3.104375  -6.187006      4.168629  2.933753       4.651444  77.83127 37.59737 130.8569 51.49681 -53.02559      63.76114 
1 1 1 11  17 24 o 244.8051 31.50402 14.77194       3.543716  13.21801       4.964858  16.38576       5.059628  224.8239 48.37971 252.8964 44.13670 -28.07246      65.48774 
1 1 1 11  17 25 o 119.9814 43.74500 3.126817       3.206499  -4.956460      4.346471  12.77927       4.749654  84.01689 40.00133 220.6763 47.18420 -136.6594      61.85834 
1 1 1 11  17 26 o 104.6660 42.27611 1.527062       3.217344  -2.026846      4.408270  5.577871       4.706368  96.62572 44.01472 150.4821 53.22709 -53.85633      69.06821 
1 1 1 11  17 27 o 141.4214 42.87699 5.208216       3.100088  5.891105       4.321272  4.484058       4.449931  150.9215 51.11872 138.7985 51.38057 12.12299       72.47817 
1 1 1 11  17 28 o 112.7166 47.05187 1.518986       4.157541  1.338288       5.124150  1.867123       7.112450  120.2129 51.30359 137.7092 59.62358 -17.49631      78.65768 
1 1 1 11  17 29 o 136.0820 43.18189 4.926657       3.104235  4.574911       5.091261  5.134799       3.916432  139.4829 54.16690 139.7830 48.62012 -0.3000641     72.78715 
1 1 1 11  17 30 o 94.51779 41.13869 0.2654426      3.421629  -0.2376041     5.049175  0.6926280      4.652908  108.1863 48.38295 109.5069 47.81002 -1.320602      68.01991 
1 1 1 11  19 0  o 136.8317 29.28091 4.592983       1.827739  1.919005       2.595152  7.224769       2.574596  104.3324 39.11542 171.8940 33.04075 -67.56155      51.20261 
1 1 1 11  19 1  o 241.4439 18.26448 13.81464       2.059057  14.07127       3.608403  13.69072       2.507350  241.7443 32.55954 239.8828 22.48240 1.861526       39.56744 
1 1 1 11  19 2  o 1247.532 14.59131 366.4898       8.562791  375.6009       12.99279  359.4940       11.38508  1262.002 21.88634 1234.975 19.59786 27.02710       29.37836 
1 1 1 11  19 3  o 1017.025 29.64981 244.5006       14.18478  244.5006       14.18478  0.000000       0.000000  1017.025 29.64981 ?        ?        0.000000       29.64981 
1 1 1 11  19 4  o 1596.181 19.74846 600.6218       14.82806  651.6053       29.31316  583.0897       17.18954  1657.564 37.59438 1572.017 23.24544 85.54724       44.20054 
1 1 1 11  19 5  o 819.6578 11.75889 158.1517       4.533863  152.5268       11.51985  159.1827       4.931892  802.9974 30.49744 822.2637 12.75067 -19.26624      33.05561 
1 1 1 11  19 6  o 827.5433 11.84018 161.2185       4.609123  167.5684       12.25133  160.1716       4.974592  841.4592 30.95143 824.7874 12.82172 16.67181       33.50205 
1 1 1 11  19 7  o 275.9387 14.73743 17.98664       1.906030  15.44590       6.808491  18.20269       1.985417  248.4388 59.11563 277.5516 15.26551 -29.11278      61.05484 
1 1 1 11  19 8  o 598.4342 13.01877 84.33826       3.664846  85.67183       10.20580  84.14084       3.926755  599.4917 36.36236 597.6760 13.96686 1.815674       38.95247 
1 1 1 11  19 9  o 952.3720 14.45982 213.6951       6.477968  217.6873       14.96786  212.7749       7.185815  957.7353 33.22347 950.1277 16.07773 7.607544       36.90925 
1 1 1 11  19 10 o 1021.601 17.35318 246.1366       8.339303  221.1653       15.20083  256.8882       9.974294  964.8511 33.49174 1043.151 20.32663 -78.30035      39.17741 
1 1 1 11  19 11 o 842.8127 14.62483 167.4259       5.798173  173.8877       7.427167  157.3425       9.277930  858.3941 18.39362 815.5418 24.18441 42.85229       30.38439 
1 1 1 11  19 12 o 466.5464 14.30393 51.31067       3.139203  51.76696       4.189925  50.72676       4.739752  468.2112 19.02370 463.2004 21.75291 5.010864       28.89793 
1 1 1 11  19 13 o 1031.242 14.54910 250.7750       7.057750  254.2619       9.879438  247.1406       10.08610  1037.132 20.25018 1022.320 20.97332 14.81262       29.15390 
1 1 1 11  19 14 o 244.9024 22.33634 14.31818       2.544897  13.05778       3.265491  16.26780       4.061353  232.2067 30.64402 258.8001 34.19852 -26.59340      45.91943 
1 1 1 11  19 15 o 651.7576 17.24768 100.3645       5.287934  95.85970       5.894493  118.9358       11.96818  636.5270 19.68613 703.1850 36.30559 -66.65796      41.29939 
1 1 1 11  19 16 o 723.0256 20.40259 123.8312       6.939181  123.8312       6.939181  0.000000       0.000000  723.0256 20.40259 ?        ?        0.000000       20.40259 
1 1 1 11  19 17 o 395.0022 17.69471 36.91787       3.287852  34.72583       4.387925  39.72415       4.964777  381.2737 24.59664 407.5317 26.03410 -26.25803      35.81577 
1 1 1 11  19 18 o 178.4742 34.56188 7.926615       2.796794  7.526118       3.649435  8.496581       4.353615  172.0769 44.68719 182.2542 49.50039 -10.17729      66.68758 
1 1 1 11  19 19 o 548.1585 21.28219 71.42429       5.487718  64.80381       10.66996  73.80537       6.398913  511.3073 44.81426 556.2842 24.45345 -44.97693      51.05183 
1 1 1 11  19 20 o 191.0254 33.55531 9.064991       2.905215  8.747246       3.847428  9.486506       4.431363  184.6980 44.75314 191.4949 48.99370 -6.796936      66.35681 
1 1 1 11  19 21 o 450.6562 20.12099 48.29467       4.265441  41.23068       6.141897  54.87580       5.928264  411.8578 31.95205 477.7865 26.48049 -65.92874      41.49879 
1 1 1 11  19 22 o 123.1309 46.38646 2.988611       3.658209  6.466353       4.124689  -9.830560      7.919037  159.5231 49.65818 109.7402 52.71534 49.78285       72.42128 
1 1 1 11  19 23 o 103.4190 40.97839 1.615039       2.964164  0.8633170      4.071493  2.462815       4.323797  110.1388 46.30741 124.1734 49.40034 -14.03461      67.71093 
1 1 1 11  19 24 o 313.0646 25.02437 23.71265       3.654446  19.64907       4.912015  28.75019       5.469083  279.5236 38.36921 340.8108 34.59338 -61.28717      51.66138 
1 1 1 11  19 25 o 450.9727 19.68463 48.58997       4.175869  50.03891       6.010188  47.23771       5.806233  453.0893 28.34155 440.2657 28.18357 12.82358       39.96946 
1 1 1 11  19 26 o 86.09334 37.79542 -0.3764696     2.943511  -0.5814294     4.187445  -0.1762739     4.138492  100.9608 44.66868 102.7220 44.96222 -1.761238      63.37896 
1 1 1 11  19 27 o 148.4778 42.46682 5.857575       3.115520  5.246730       5.166485  6.206634       3.905520  147.0785 55.18085 152.2931 48.44713 -5.214554      73.43059 
1 1 1 11  19 28 o 109.6364 41.26480 2.598348       2.893689  1.375149       4.504248  3.457982       3.775987  113.9817 48.35573 123.8865 47.01812 -9.904770      67.44613 
1 1 1 11  19 29 o 77.51385 36.16232 -2.336354      3.240843  -5.862070      4.482220  1.526159       4.691422  80.20985 38.80616 115.0654 49.09773 -34.85555      62.58199 
1 1 1 11  21 0  o 670.9773 12.98617 106.0333       4.098813  116.6171       6.825473  100.0638       5.126003  702.9435 20.64158 651.5264 16.72544 51.41711       26.56718 
1 1 1 11  21 1  o 1238.216 16.49257 361.3929       9.606252  384.5573       12.84981  332.0452       14.46349  1276.331 21.40247 1184.971 25.94753 91.36011       33.63540 
1 1 1 11  21 2  o 265.6182 20.65231 16.75120       2.560164  18.23071       4.011253  15.73425       3.325611  275.5484 31.51332 256.3296 28.03777 19.21887       42.18063 
1 1 1 11  21 3  o 176.3831 28.19479 7.545877       2.260562  9.134959       5.927817  7.275456       2.445354  193.8000 59.40012 172.5748 31.27437 21.22519       67.13017 
1 1 1 11  21 4  o 341.5851 12.98612 27.48286       2.086641  26.27824       6.860034  27.60568       2.190431  328.3798 45.64429 342.3236 13.60265 -13.94382      47.62807 
1 1 1 11  21 5  o 424.2833 11.61807 42.39075       2.318778  51.04043       7.827995  41.55879       2.427733  461.7645 36.33144 420.0694 12.28600 41.69507       38.35256 
1 1 1 11  21 6  o 273.3243 13.06987 17.59898       1.680423  19.23603       6.772706  17.49159       1.734666  277.8549 53.76099 272.4734 13.53388 5.381531       55.43835 
1 1 1 11  21 7  o 733.2150 12.45906 126.6392       4.297204  0.000000       0.000000  126.6392       4.297204  ?        ?        733.2150 12.45906 0.000000       12.45906 
1 1 1 11  21 8  o 976.9584 12.90157 224.8801       5.929090  228.2402       15.03777  224.2616       6.451743  979.6202 32.63296 975.4540 14.06050 4.166260       35.53320 
1 1 1 11  21 9  o 560.1082 12.30857 73.91348       3.243014  52.25922       8.829056  77.29066       3.486745  465.3602 40.74299 572.7098 12.94244 -107.3495      42.74925 
1 1 1 11  21 10 f 418.7146 16.98019 41.38031       3.344492  29.08145       8.572638  43.58835       3.632327  341.4984 55.25212 429.6505 17.97216 -88.15210      58.10160 
1 1 1 11  21 11 o 604.8405 16.97909 86.37096       4.830862  82.96671       10.41745  87.30358       5.452577  587.2361 37.91449 607.7964 19.07104 -20.56030      42.44070 
1 1 1 11  21 12 o 606.7825 17.28857 86.96881       4.934708  79.42926       10.55956  89.07543       5.581695  573.5194 39.37928 613.7593 19.33298 -40.23993      43.86903 
1 1 1 11  21 13 o 114.7155 35.47179 3.152859       2.108615  2.988384       2.715934  3.402445       3.345642  116.7693 40.49555 126.3361 44.85708 -9.566795      60.43217 
1 1 1 11  21 14 o 548.6214 14.91285 71.06289       3.848599  70.95720       5.489295  71.16506       5.397352  547.1245 21.32854 548.0025 20.93770 -0.8780518     29.88802 
1 1 1 11  21 15 f 504.1143 14.45002 60.00693       3.426626  52.31855       4.402746  71.81931       5.457266  469.8855 19.91876 550.2896 21.08213 -80.40408      29.00368 
1 1 1 11  21 16 o 561.9165 17.37505 74.72387       4.592690  75.65282       5.166478  71.22474       10.02719  564.9616 19.44045 540.3145 39.73019 24.64716       44.23142 
1 1 1 11  21 17 o 569.0031 16.18167 76.58997       4.331189  77.28865       5.420987  75.35673       7.202142  570.6791 20.19375 561.4423 27.27013 9.236816       33.93299 
1 1 1 11  21 18 o 579.2590 15.34631 79.35677       4.181635  69.08594       5.409466  94.60749       6.591693  539.0927 21.33151 630.5730 22.22247 -91.48035      30.80376 
1 1 1 11  21 19 o 560.4171 15.75504 74.32774       4.153367  80.36349       5.794449  67.94990       5.956395  581.2775 21.19139 533.7506 23.72334 47.52686       31.80993 
1 1 1 11  21 20 o 237.1580 40.21208 14.13298       4.325775  0.000000       0.000000  14.13298       4.325775  ?        ?        237.1580 40.21208 0.000000       40.21208 
1 1 1 11  21 21 o 225.4755 27.73936 12.39717       2.880102  8.993599       3.678219  17.79092       4.630371  187.1754 42.71735 267.1495 37.90958 -79.97408      57.11312 
1 1 1 11  21 22 o 242.9343 27.29688 14.37974       3.065399  13.94868       4.191259  14.87551       4.494910  235.0178 39.29948 242.2089 40.90843 -7.191071      56.72697 
1 1 1 11  21 23 o 350.6532 29.25396 29.99936       4.781329  29.99936       4.781329  0.000000       0.000000  350.6532 29.25396 ?        ?        0.000000       29.25396 
1 1 1 11  21 24 o 149.3664 39.85420 5.782052       2.852172  5.555059       3.915878  6.038547       4.162577  147.7722 48.63445 153.2336 50.12907 -5.461365      69.84435 
1 1 1 11  21 25 o 182.6484 34.73615 8.517194       2.875399  7.781845       4.039025  9.272843       4.094398  170.1266 48.24722 185.8899 46.84235 -15.76329      67.24582 
1 1 1 11  21 26 o 243.3230 27.63782 14.65255       3.107292  19.52735       5.409080  12.25150       3.796169  272.2162 43.72150 217.2522 38.55819 54.96405       58.29498 
1 1 1 11  21 27 o 207.6714 32.66825 11.01375       3.085929  10.61831       5.057962  11.24823       3.894829  192.3680 53.79451 205.0941 41.78916 -12.72612      68.11889 
1 1 1 11  23 0  o 298.2277 15.47058 21.03128       2.162866  22.75534       3.015097  19.20362       3.104364  309.5962 20.82423 283.9077 23.45485 25.68854       31.36524 
1 1 1 11  23 1  o 874.8405 12.85578 180.3460       5.290499  186.0283       7.939433  175.8078       7.095316  887.5343 19.01670 863.0820 17.47634 24.45233       25.82745 
1 1 1 11  23 2  o 304.9580 19.61184 22.05873       2.798456  23.08014       4.229498  21.26338       3.732214  310.4052 29.31316 298.2707 26.88942 12.13452       39.77817 
1 1 1 11  23 3  o 371.2393 16.12699 32.51231       2.816285  37.00951       6.742373  31.56184       3.099637  391.9347 37.00845 365.6367 18.02153 26.29794       41.16310 
1 1 1 11  23 4  o 117.4673 30.19871 3.404065       1.677915  4.800833       6.182825  3.293016       1.743340  159.9330 60.29324 115.7338 31.27810 44.19921       67.92345 
1 1 1 11  23 5  o 549.5410 11.64437 71.14683       3.010131  84.06660       9.087674  69.55465       3.190222  593.1362 32.69715 543.2903 12.48302 49.84583       34.99899 
1 1 1 11  23 6  o 253.6022 15.55760 15.22962       1.846977  0.000000       0.000000  15.22962       1.846977  ?        ?        253.6022 15.55760 0.000000       15.55760 
1 1 1 11  23 7  o 343.2626 12.04924 27.76674       1.945608  33.32343       7.773773  27.39541       2.009565  368.7438 45.80308 340.9330 12.53036 27.81079       47.48612 
1 1 1 11  23 8  o 509.3574 12.38954 61.15223       2.968569  0.000000       0.000000  61.15223       2.968569  ?        ?        509.3574 12.38954 0.000000       12.38954 
1 1 1 11  23 9  o 159.7387 16.55696 6.089694       1.226046  9.949466       6.788943  5.959566       1.246542  200.4001 63.88797 157.9343 17.04924 42.46574       66.12374 
1 1 1 11  23 10 o 447.2080 11.72899 47.14049       2.467400  35.99881       8.872432  48.07440       2.568729  380.6580 50.81844 451.5856 12.09230 -70.92761      52.23732 
1 1 1 11  23 11 o 395.1237 14.32717 36.84624       2.662949  23.24614       7.938268  38.57074       2.826743  301.6274 58.05521 404.2114 14.86649 -102.5840      59.92846 
1 1 1 11  23 12 o 385.4965 17.13637 35.13551       3.107483  54.63734       9.519021  32.80931       3.287595  472.3608 43.32269 371.8444 18.85694 100.5164       47.24870 
1 1 1 11  23 13 o 898.5945 19.70770 191.3147       8.330462  0.000000       0.000000  191.3147       8.330462  ?        ?        898.5945 19.70770 0.000000       19.70770 
1 1 1 11  23 14 o 437.4253 14.33719 45.18906       2.950104  51.14208       3.969130  37.84106       4.409721  464.7713 18.15460 398.2033 23.64775 66.56793       29.81284 
1 1 1 11  23 15 o 96.85837 34.84283 1.929655       2.024849  3.156428       2.519033  -0.3102710     3.403836  116.8510 39.03201 94.95204 41.17902 21.89897       56.73808 
1 1 1 11  23 16 o 335.7803 17.66436 26.77420       2.780307  24.67303       3.397440  31.03448       4.837713  321.2998 22.62317 358.8441 28.90434 -37.54434      36.70515 
1 1 1 11  23 17 o 199.3894 29.78869 9.740968       2.708309  10.78547       2.926641  3.513674       7.146010  209.8074 30.55068 155.2020 62.89418 54.60547       69.92154 
1 1 1 11  23 18 o 199.5231 25.77930 9.669243       2.362960  11.21801       3.062846  7.392014       3.713947  213.6504 31.41346 169.9078 45.54112 43.74255       55.32449 
1 1 1 11  23 19 o 219.6418 25.42742 11.69222       2.578579  7.595658       3.439934  16.94646       3.895782  172.2046 42.68069 262.9453 32.16710 -90.74068      53.44496 
1 1 1 11  23 20 o 322.1922 19.70735 24.78850       2.972484  27.88065       4.171354  21.59847       4.236866  339.8409 26.29821 297.4130 30.72706 42.42792       40.44439 
1 1 1 11  23 21 o 219.8065 34.97625 12.07651       3.495280  30.46968       8.178881  7.966767       3.866100  341.7722 52.55645 174.7865 46.28852 166.9857       70.03433 
1 1 1 11  23 22 o 470.5085 18.28466 52.71207       4.046912  57.53613       5.381411  46.43282       6.139649  489.6796 23.36226 436.1315 30.11099 53.54803       38.11124 
1 1 1 11  23 23 o 321.6867 20.17695 24.84411       3.037762  21.98803       4.274898  27.75740       4.317506  298.4717 30.89491 337.2645 27.45226 -38.79276      41.32943 
1 1 1 11  23 24 o 140.0522 42.51154 5.095695       3.046168  4.578518       3.423225  7.063021       6.676578  135.0764 45.49919 167.2518 62.73294 -32.17546      77.49580 
1 1 1 11  23 25 o 232.9694 26.11529 13.38007       2.812702  16.63496       4.573497  11.40012       3.567033  253.1157 39.71877 209.8218 37.51701 43.29388       54.63614 
1 1 1 11  25 0  o 403.0345 13.61624 38.31105       2.581481  38.69808       3.591025  37.89716       3.713588  404.5514 18.87015 400.2452 19.72415 4.306244       27.29698 
1 1 1 11  25 1  o 324.8030 19.07266 25.03195       2.901290  25.21605       3.923248  24.80975       4.310064  324.8123 25.89207 321.5636 28.79865 3.248749       38.72676 
1 1 1 11  25 2  o 534.7227 13.62860 67.43738       3.428066  64.43964       5.199039  69.74313       4.559673  521.6809 21.18599 543.2505 17.84285 -21.56964      27.69862 
1 1 1 11  25 3  o 310.9206 18.20886 22.92816       2.651568  29.78597       6.727558  21.66693       2.885111  349.0030 41.81113 301.8845 20.43706 47.11844       46.53863 
1 1 1 11  25 4  o 233.0881 17.89333 12.91569       1.946944  14.24792       6.336230  12.77679       2.045923  235.7210 57.62637 231.6755 18.93887 4.045578       60.65871 
1 1 1 11  25 5  o 601.1008 11.89542 85.17192       3.363539  82.55054       9.750853  85.52596       3.583488  585.6414 35.56332 602.2617 12.64886 -16.62030      37.74578 
1 1 1 11  25 6  o 173.1295 22.66515 7.226180       1.801533  6.233651       6.466501  7.309698       1.875799  170.5682 62.13244 173.9820 23.52301 -3.413788      66.43623 
1 1 1 11  25 7  o 301.4767 14.03018 21.44678       1.989694  14.47681       6.354840  22.20432       2.095031  237.1898 57.54342 306.7193 14.52045 -69.52954      59.34718 
1 1 1 11  25 8  o 193.7375 17.26928 8.942470       1.557326  8.748514       6.573411  8.954002       1.602961  189.5101 63.04317 193.7879 17.78275 -4.277756      65.50318 
1 1 1 11  25 9  o 159.1662 18.32239 6.071766       1.346800  7.764566       6.604669  5.998322       1.375706  181.9068 63.14631 158.0971 18.87126 23.80966       65.90585 
1 1 1 11  25 10 o 228.9459 12.73768 12.40301       1.366377  10.46373       7.059211  12.47849       1.392715  203.5680 65.17364 229.6211 12.94662 -26.05312      66.44711 
1 1 1 11  25 11 o 260.6008 12.12023 16.01757       1.485784  4.702735       7.032297  16.54626       1.520100  162.9036 63.54978 264.8618 12.20067 -101.9582      64.71037 
1 1 1 11  25 12 o 534.3998 11.75552 67.35149       2.955137  51.24852       10.38348  68.77074       3.082614  453.7502 49.44758 539.9529 12.13651 -86.20270      50.91521 
1 1 1 11  25 13 o 130.7110 33.81432 4.264859       2.094871  16.22473       7.955945  3.373890       2.171499  247.1917 66.82350 117.8404 35.92061 129.3514       75.86613 
1 1 1 11  25 14 o 527.8642 17.83136 65.98439       4.427678  55.94530       9.779299  68.57296       4.965811  476.0489 44.17371 537.7318 19.63157 -61.68286      48.33959 
1 1 1 11  25 15 o 318.8865 26.08595 24.44201       3.878765  16.77468       7.823182  26.94114       4.466388  250.4460 65.61695 334.1628 28.69206 -83.71675      71.61578 
1 1 1 11  25 16 o 257.4028 18.79436 15.79913       2.259945  14.86623       2.896094  17.25176       3.613873  248.2920 25.14257 266.5523 29.30567 -18.26031      38.61310 
1 1 1 11  25 17 o 113.9512 35.73129 3.142067       2.131171  2.544284       2.586678  4.405470       3.760465  109.5840 39.38531 137.8253 47.65896 -28.24130      61.82701 
1 1 1 11  25 18 o 198.5814 24.30062 9.564450       2.222632  4.491154       2.869194  17.17720       3.514678  134.4475 41.34520 265.7376 28.56509 -131.2901      50.25325 
1 1 1 11  25 19 o 107.6652 39.05260 2.441199       2.550746  3.023686       2.824314  -0.1361475     5.940952  116.5528 41.23235 123.8302 54.04468 -7.277374      67.97746 
1 1 1 11  25 20 o 150.0392 32.48893 5.684354       2.226607  2.298322       2.974001  10.00327       3.358790  109.8591 41.71941 198.6428 37.31535 -88.78376      55.97271 
1 1 1 11  25 21 o 182.8345 64.04057 8.819858       6.800354  8.819858       6.800354  0.000000       0.000000  182.8345 64.04057 ?        ?        0.000000       64.04057 
1 1 1 11  25 22 o 456.9568 28.57801 51.03424       6.112077  49.82164       8.570957  52.28894       8.718494  442.2946 41.68714 453.4806 41.32449 -11.18594      58.69865 
1 1 1 11  25 23 o 101.9639 45.24628 -0.6404107     4.327499  -10.65993      5.822292  11.72711       6.468624  84.50433 41.59180 201.7147 62.08800 -117.2104      74.73150 
1 1 1 11  27 0  o 208.0595 24.70753 10.42958       2.370899  8.869406       2.960533  13.21938       3.958858  189.4572 34.48987 231.4773 37.65145 -42.02005      51.06058 
1 1 1 11  27 1  o 538.2440 13.55256 68.35626       3.431389  72.47762       5.456086  65.65951       4.413488  553.0096 20.97390 526.9130 17.80630 26.09668       27.51307 
1 1 1 11  27 2  o 563.3630 15.31795 74.95063       4.059368  71.99763       8.154744  75.92343       4.680485  547.6306 31.79264 566.6477 17.55935 -19.01715      36.31945 
1 1 1 11  27 3  o 118.6598 35.65231 3.421682       2.150503  4.919739       5.840482  3.186728       2.313006  156.9695 58.71335 116.2245 37.31645 40.74503       69.56850 
1 1 1 11  27 4  o 909.7358 12.80218 195.2127       5.478586  218.6683       14.79463  191.4851       5.897874  955.2374 32.92483 900.7748 13.91906 54.46252       35.74611 
1 1 1 11  27 5  o 827.3685 13.34806 161.5089       5.195010  0.000000       0.000000  161.5089       5.195010  ?        ?        827.3685 13.34806 0.000000       13.34806 
1 1 1 11  27 6  o 154.1367 24.44794 5.781913       1.713459  7.155173       6.737930  5.686966       1.771703  177.9762 63.60843 152.6102 25.58518 25.36598       68.56117 
1 1 1 11  27 7  o 226.2033 22.46029 12.26112       2.358323  21.67063       7.222083  11.13802       2.495098  291.6595 54.64822 214.9674 25.14972 76.69206       60.15759 
1 1 1 11  27 8  o 247.8450 15.53520 14.56883       1.802045  12.11356       7.070227  14.73941       1.863594  216.3884 64.56129 249.2380 15.97945 -32.84958      66.50941 
1 1 1 11  27 9  f 252.7995 14.35652 15.13858       1.700200  13.76932       7.119256  15.22140       1.750862  229.4073 63.70463 253.4422 14.74978 -24.03491      65.38987 
1 1 1 11  27 10 o 334.3136 11.74880 26.35944       1.847637  23.57313       7.447947  26.54216       1.907256  304.0754 54.05024 335.4435 12.08705 -31.36810      55.38524 
1 1 1 11  27 11 o 149.5363 19.72983 5.391285       1.353950  5.769917       6.639787  5.374859       1.383009  166.8270 62.56255 149.2130 20.22497 17.61394       65.75045 
1 1 1 11  27 12 o 293.9536 11.96960 20.38675       1.655113  15.02973       7.073247  20.69706       1.702375  238.5249 62.34399 296.1629 12.21955 -57.63797      63.53024 
1 1 1 11  27 13 o 694.7069 13.98546 114.0229       4.570332  92.21166       10.75947  118.8247       5.048417  615.3250 37.34879 708.9116 15.13888 -93.58661      40.30035 
1 1 1 11  27 14 o 103.3987 26.83258 2.653573       1.316405  4.943520       6.492800  2.555404       1.344325  159.2657 61.35864 101.6010 27.46966 57.66467       67.22697 
1 1 1 11  27 15 o 263.9423 40.59533 17.43353       4.878796  10.14863       6.856475  24.90488       6.943669  197.6212 64.32152 312.7556 48.78944 -115.1343      80.73207 
1 1 1 11  27 16 f 154.9809 50.29700 5.978678       4.193628  7.812129       6.235959  4.464923       5.666260  177.3886 61.37084 149.7693 57.41521 27.61928       84.04098 
1 1 1 11  27 17 o 334.4522 35.02374 27.56783       5.428462  33.14507       8.110143  23.04103       7.306590  359.5783 49.24113 296.1424 54.45662 63.43591       73.41807 
1 1 1 11  27 18 o 240.6645 58.09010 15.69857       6.501340  0.000000       0.000000  15.69857       6.501340  ?        ?        240.6645 58.09010 0.000000       58.09010 
1 1 1 11  27 19 o 348.9882 31.81890 29.94730       5.166126  28.23722       7.304558  31.65874       7.307453  329.6616 48.55829 351.4386 45.25395 -21.77698      66.37640 
1 1 1 11  27 20 o 195.6033 48.67844 10.23476       4.461133  11.12366       6.508539  9.447087       6.126747  199.4930 62.42445 185.9426 60.81618 13.55037       87.15170 
1 1 1 11  29 0  o 260.1870 22.46786 16.19234       2.722923  16.57422       3.492592  15.60048       4.348029  261.8764 28.82941 251.5334 37.92586 10.34299       47.63933 
1 1 1 11  29 1  o 454.0343 14.77708 48.68797       3.156070  58.72453       5.461957  43.65723       3.866981  497.0981 23.35807 429.3340 19.14730 67.76407       30.20295 
1 1 1 11  29 2  f 414.2231 17.26991 40.58560       3.365068  51.48633       7.844208  38.12709       3.725262  460.7236 36.49281 401.1332 19.74235 59.59036       41.49079 
1 1 1 11  29 3  o 222.4397 22.13996 11.85965       2.285857  20.68074       6.395553  10.56778       2.447526  286.4375 49.24052 209.2036 25.39109 77.23392       55.40160 
1 1 1 11  29 4  o 437.0475 13.39621 45.08205       2.754101  0.000000       0.000000  45.08205       2.754101  ?        ?        437.0475 13.39621 0.000000       13.39621 
1 1 1 11  29 5  o 135.9860 26.39845 4.554686       1.627767  5.154578       6.009875  4.507194       1.690972  159.1120 59.55006 135.0540 27.55033 24.05797       65.61425 
1 1 1 11  29 6  o 442.1548 15.20884 46.19564       3.163296  54.48871       8.482437  44.85600       3.409231  472.9212 38.46287 435.4979 16.64183 37.42331       41.90874 
1 1 1 11  29 7  o 383.6452 12.28669 34.72551       2.217347  18.94768       6.769301  36.62186       2.346820  271.3142 54.92420 393.9431 12.66418 -122.6290      56.36532 
1 1 1 11  29 8  f 97.01471 43.12638 -1.190142      3.948375  1.127230       6.092711  -2.868015      5.184325  133.9084 56.49237 104.4276 47.63187 29.48081       73.89305 
1 1 1 11  29 9  o 281.0159 35.28843 19.35612       4.561922  21.48335       6.668773  17.48514       6.254226  290.5705 50.62959 260.6873 52.81146 29.88324       73.16013 
1 1 1 11  29 10 o 189.5777 47.67014 9.227304       4.246789  8.706898       6.078541  9.723545       5.935737  185.8010 60.56706 194.1076 59.43069 -8.306534      84.85503 
1 1 1 11  29 11 f 643.8817 33.67292 100.4459       10.16353  0.000000       0.000000  100.4459       10.16353  ?        ?        643.8817 33.67292 0.000000       33.67292 
1 1 1 11  29 12 o 314.9141 33.10601 24.22153       4.830778  26.73009       6.911281  21.82521       6.754905  325.4909 46.45700 291.5127 51.12392 33.97821       69.07900 
1 1 1 11  29 13 o 129.4397 48.77408 3.313221       4.044935  1.199762       5.661336  5.517242       5.781357  129.0714 54.45399 158.3381 58.57457 -29.26674      79.97636 
1 1 1 11  29 14 o 415.4268 27.00246 41.62393       5.248114  37.42569       7.093708  46.70036       7.800436  388.4311 39.36686 434.7141 38.54550 -46.28299      55.09542 
1 1 1 11  29 15 o 133.7611 47.90046 4.033016       3.822785  7.164091       5.398939  0.8849584      5.413559  168.7010 57.13845 124.1569 52.85326 44.54410       77.83488 
1 1 1 11  29 16 o 121.4287 46.79549 2.753246       3.777364  9.390607       5.494395  -3.195601      5.201620  187.5300 57.13209 101.6389 46.85908 85.89110       73.89079 
1 1 1 11  29 17 o 150.2447 57.28989 4.875149       5.622653  0.000000       0.000000  4.875149       5.622653  ?        ?        150.2447 57.28989 0.000000       57.28989 
1 1 1 11  31 0  o 264.6426 18.07283 16.67051       2.236408  15.17443       3.365874  17.85306       2.992471  249.9955 29.17027 272.8149 23.54886 -22.81946      37.48938 
1 1 1 11  31 1  o 121.0386 37.33374 3.563626       2.337446  2.736938       3.089659  4.670036       3.574354  116.5549 42.87287 140.0893 46.48259 -23.53436      63.23539 
1 1 1 11  31 2  o 488.8175 22.09347 56.82331       5.080190  59.63140       7.937807  54.87515       6.611598  495.8679 34.24002 477.4331 29.58483 18.43478       45.25087 
1 1 1 11  31 3  f 107.3636 43.97966 1.175562       3.540434  -0.7978597     5.224756  2.851070       4.814257  114.5244 50.31384 132.9284 52.36538 -18.40403      72.61965 
1 1 1 11  31 4  o 192.9057 43.00755 9.456925       3.803107  0.9393580      5.575781  16.86683       5.200608  127.5831 53.94513 258.8048 44.31170 -131.2216      69.81120 
1 1 1 11  31 5  o 315.2846 28.55551 24.01317       4.189128  26.38526       6.109560  21.90844       5.754970  326.4013 40.67387 296.3279 42.50287 30.07339       58.82906 
1 1 1 11  31 6  o 327.7545 28.93344 25.96528       4.415059  24.73543       6.540792  26.99465       5.983970  313.7062 45.66384 330.6198 39.24233 -16.91351      60.20919 
1 1 1 11  31 7  o 278.8687 33.66477 19.05454       4.326815  12.03329       6.061958  26.34661       6.177767  213.5407 58.58249 325.5937 41.26119 -112.0530      71.65468 
1 1 1 11  31 8  o 203.8463 43.36890 10.59496       4.030820  8.460167       5.715038  12.70809       5.685953  182.1049 58.67703 219.8806 55.08721 -37.77573      80.48351 
1 1 1 11  31 9  o 517.7846 22.66582 63.93143       5.520645  60.85019       7.775919  67.06303       7.839208  500.2399 33.23399 525.9505 31.83530 -25.71060      46.02156 
1 1 1 11  31 10 o 305.9442 41.43959 23.43341       5.810380  0.000000       0.000000  23.43341       5.810380  ?        ?        305.9442 41.43959 0.000000       41.43959 
1 1 1 11  31 11 o 158.9739 43.64931 6.486421       3.363715  8.813912       5.225376  4.839478       4.395546  183.5077 55.67343 144.8316 51.41680 38.67615       75.78402 
1 1 1 11  31 12 o 83.36581 38.43964 -2.412132      3.502063  -2.911415      5.191619  -1.995244      4.743933  103.0566 47.25399 101.8951 46.11718 1.161598       66.02828 
1 1 1 11  31 13 o 196.0768 55.13448 10.28835       5.297843  10.28835       5.297843  0.000000       0.000000  196.0768 55.13448 ?        ?        0.000000       55.13448 
1 1 1 11  33 4  o 178.3520 42.23786 8.158277       3.488970  12.61593       5.409023  4.982164       4.565763  218.8402 53.08697 147.1800 52.38660 71.66022       74.58273 
1 1 1 11  33 5  o 356.3678 26.55077 30.64686       4.418940  34.30440       6.517916  27.53568       6.011416  372.5245 37.71471 332.7656 39.15215 39.75891       54.36258 
1 1 1 12  0  0  o 820.0895 15.77805 158.4475       6.081645  158.4475       6.081645  158.4475       6.081645  820.0895 15.77805 820.0895 15.77805 0.000000       0.000000 
1 1 1 12  0  1  f 597.8561 15.46407 84.28246       4.342428  84.28246       4.342428  84.28246       4.342428  597.8561 15.46407 597.8561 15.46407 0.000000       0.000000 
1 1 1 12  0  2  o 1033.650 17.78446 251.7058       8.641588  251.7058       8.641588  251.7058       8.641588  1033.650 17.78446 1033.650 17.78446 0.000000       0.000000 
1 1 1 12  0  3  o 854.8083 16.68505 172.1748       6.703355  172.1748       6.703355  172.1748       6.703355  854.8083 16.68505 854.8083 16.68505 0.000000       0.000000 
1 1 1 12  0  4  o 770.4185 16.76672 139.9068       6.069873  139.9068       6.069873  139.9068       6.069873  770.4185 16.76672 770.4185 16.76672 0.000000       0.000000 
1 1 1 12  0  5  o 971.6240 25.52123 222.9489       11.64639  222.9489       11.64639  222.9489       11.64639  971.6240 25.52123 971.6240 25.52123 0.000000       0.000000 
1 1 1 12  0  6  o 465.6379 18.60667 51.30527       4.060766  51.30527       4.060766  51.30527       4.060766  465.6379 18.60667 465.6379 18.60667 0.000000       0.000000 
1 1 1 12  0  7  o 1430.294 22.73957 482.6229       15.29077  482.6229       15.29077  482.6229       15.29077  1430.294 22.73957 1430.294 22.73957 0.000000       0.000000 
1 1 1 12  0  8  o 65.29842 42.57702 -0.3069076     3.183949  -0.3069076     3.183949  -0.3069076     3.183949  65.29842 42.57702 65.29842 42.57702 0.000000       0.000000 
1 1 1 12  0  9  f 438.7759 21.65079 45.70215       4.443933  45.70215       4.443933  45.70215       4.443933  438.7759 21.65079 438.7759 21.65079 0.000000       0.000000 
1 1 1 12  0  10 o 319.4538 41.78549 25.34186       5.981721  25.34186       5.981721  25.34186       5.981721  319.4538 41.78549 319.4538 41.78549 0.000000       0.000000 
1 1 1 12  0  11 o 363.6135 26.77872 31.65862       4.523253  31.65862       4.523253  31.65862       4.523253  363.6135 26.77872 363.6135 26.77872 0.000000       0.000000 
1 1 1 12  0  12 o 581.7651 22.03070 80.03249       6.009375  80.03249       6.009375  80.03249       6.009375  581.7651 22.03070 581.7651 22.03070 0.000000       0.000000 
1 1 1 12  0  13 o 210.7539 52.51087 12.24645       4.504452  12.24645       4.504452  12.24645       4.504452  210.7539 52.51087 210.7539 52.51087 0.000000       0.000000 
1 1 1 12  0  14 o 1489.471 25.11191 522.9309       17.58339  522.9309       17.58339  522.9309       17.58339  1489.471 25.11191 1489.471 25.11191 0.000000       0.000000 
1 1 1 12  0  15 o 3118.267 42.58757 2297.613       62.44288  2297.613       62.44288  2297.613       62.44288  3118.267 42.58757 3118.267 42.58757 0.000000       0.000000 
1 1 1 12  0  16 o 429.0175 29.22331 43.97992       5.834757  43.97992       5.834757  43.97992       5.834757  429.0175 29.22331 429.0175 29.22331 0.000000       0.000000 
1 1 1 12  0  17 o 79.25232 52.41916 -1.195267      5.096263  -1.195267      5.096263  -1.195267      5.096263  79.25232 52.41916 79.25232 52.41916 0.000000       0.000000 
1 1 1 12  0  18 o 313.7720 63.71531 26.05529       8.324251  26.05529       8.324251  26.05529       8.324251  313.7720 63.71531 313.7720 63.71531 0.000000       0.000000 
1 1 1 12  0  19 o 818.2222 24.28732 158.2234       9.329390  158.2234       9.329390  158.2234       9.329390  818.2222 24.28732 818.2222 24.28732 0.000000       0.000000 
1 1 1 12  0  20 o 510.1630 30.12654 62.09628       7.172105  62.09628       7.172105  62.09628       7.172105  510.1630 30.12654 510.1630 30.12654 0.000000       0.000000 
1 1 1 12  0  21 o 781.0400 43.71777 146.3139       15.94696  146.3139       15.94696  146.3139       15.94696  781.0400 43.71777 781.0400 43.71777 0.000000       0.000000 
1 1 1 12  0  22 o 78.21799 52.59692 -2.144726      5.509930  -2.144726      5.509930  -2.144726      5.509930  78.21799 52.59692 78.21799 52.59692 0.000000       0.000000 
1 1 1 12  0  23 o 84.49929 55.49894 -0.7172935     5.557250  -0.7172935     5.557250  -0.7172935     5.557250  84.49929 55.49894 84.49929 55.49894 0.000000       0.000000 
1 1 1 12  0  24 o 414.2085 36.61711 41.84256       7.006395  41.84256       7.006395  41.84256       7.006395  414.2085 36.61711 414.2085 36.61711 0.000000       0.000000 
1 1 1 12  0  25 o 147.9990 69.96720 7.962495       5.515055  7.962495       5.515055  7.962495       5.515055  147.9990 69.96720 147.9990 69.96720 0.000000       0.000000 
1 1 1 12  0  26 o 239.1656 60.31518 16.32725       5.868427  16.32725       5.868427  16.32725       5.868427  239.1656 60.31518 239.1656 60.31518 0.000000       0.000000 
1 1 1 12  0  27 o 220.6734 62.84593 14.52589       5.652876  14.52589       5.652876  14.52589       5.652876  220.6734 62.84593 220.6734 62.84593 0.000000       0.000000 
1 1 1 12  0  28 o 101.0910 61.57132 2.751540       5.503353  2.751540       5.503353  2.751540       5.503353  101.0910 61.57132 101.0910 61.57132 0.000000       0.000000 
1 1 1 12  0  29 o 88.65366 57.21767 0.6080458      5.552951  0.6080458      5.552951  0.6080458      5.552951  88.65366 57.21767 88.65366 57.21767 0.000000       0.000000 
1 1 1 12  0  30 o 106.4385 63.19289 3.692400       5.508407  3.692400       5.508407  3.692400       5.508407  106.4385 63.19289 106.4385 63.19289 0.000000       0.000000 
1 1 1 12  0  31 o 303.0016 45.38385 24.12753       6.040938  24.12753       6.040938  24.12753       6.040938  303.0016 45.38385 303.0016 45.38385 0.000000       0.000000 
1 1 1 12  0  32 f 187.0088 65.08224 11.71100       5.173294  11.71100       5.173294  11.71100       5.173294  187.0088 65.08224 187.0088 65.08224 0.000000       0.000000 
1 1 1 12  0  33 o 88.15826 58.34825 0.8671225E-01  6.331157  0.8671225E-01  6.331157  0.8671225E-01  6.331157  88.15826 58.34825 88.15826 58.34825 0.000000       0.000000 
1 1 1 12  0  34 o 116.2524 67.21050 5.704519       5.959955  5.704519       5.959955  5.704519       5.959955  116.2524 67.21050 116.2524 67.21050 0.000000       0.000000 
1 1 1 12  0  35 o 86.34178 57.49511 0.4236029      6.303438  0.4236029      6.303438  0.4236029      6.303438  86.34178 57.49511 86.34178 57.49511 0.000000       0.000000 
1 1 1 12  2  0  o 1290.569 14.15594 392.1413       8.593873  404.2806       17.73484  388.4161       9.824383  1308.306 28.81700 1284.216 16.26290 24.09021       33.08929 
1 1 1 12  2  1  o 432.2971 11.32992 43.98337       2.303979  41.24883       3.184448  46.98724       3.337582  418.5008 16.17590 446.6741 15.88444 -28.17331      22.67102 
1 1 1 12  2  2  o 545.0499 11.17740 69.91898       2.865804  68.98335       4.062575  70.84573       4.043211  541.2076 15.95762 548.4774 15.67106 -7.269836      22.36578 
1 1 1 12  2  3  o 471.9801 11.93556 52.43587       2.649940  51.85006       3.769711  53.00813       3.725835  469.1429 17.08180 474.3701 16.69694 -5.227203      23.88673 
1 1 1 12  2  4  o 618.3567 13.34263 90.02982       3.881055  84.80976       6.299111  93.22397       4.927408  599.5798 22.33382 629.0412 16.65214 -29.46143      27.85845 
1 1 1 12  2  5  o 799.2192 12.25552 150.3935       4.607516  147.0949       6.392977  153.9588       6.646436  790.0023 17.20305 808.1965 17.48246 -18.19421      24.52716 
1 1 1 12  2  6  o 234.7987 23.75878 13.15839       2.588036  14.93743       3.171658  9.613556       4.477039  249.7611 27.44831 196.4558 48.69137 53.30530       55.89507 
1 1 1 12  2  7  o 105.2245 35.67927 2.445692       2.105175  1.402162       2.995609  3.463914       2.959061  103.8418 41.17959 124.7639 42.30084 -20.92209      59.03490 
1 1 1 12  2  8  o 898.3492 13.37767 190.1404       5.653209  192.1730       8.049341  188.1619       7.941442  902.3582 18.96322 892.9006 18.90719 9.457520       26.77845 
1 1 1 12  2  9  o 690.5007 15.59214 112.3731       5.064529  111.5728       6.166957  114.0309       8.875978  687.6873 19.06385 694.1200 27.18394 -6.432678      33.20237 
1 1 1 12  2  10 o 640.9155 14.18158 96.74556       4.275576  99.62676       6.088374  93.94214       6.005630  649.9605 19.91338 631.1180 20.22920 18.84247       28.38597 
1 1 1 12  2  11 o 429.2987 19.88647 43.43558       4.015935  49.64329       7.584598  41.01722       4.733992  456.5700 35.59599 416.2657 24.28157 40.30435       43.08908 
1 1 1 12  2  12 o 788.9105 14.69462 146.5234       5.453251  140.4351       7.542376  153.1922       7.893741  771.9810 20.76980 806.2790 20.81269 -34.29803      29.40327 
1 1 1 12  2  13 o 1922.918 20.39486 871.1790       18.44807  867.5999       26.03072  874.7905       26.14870  1917.314 28.86180 1925.241 28.87326 -7.926270      40.82486 
1 1 1 12  2  14 o 202.9875 41.65974 10.11487       3.844594  7.019405       4.844589  15.38050       6.318574  172.3835 53.84311 249.3483 55.31670 -76.96484      77.19467 
1 1 1 12  2  15 o 811.6212 22.26964 155.2811       8.502291  156.8371       12.24970  153.8347       11.81043  814.7121 31.96334 806.9736 31.11266 7.738525       44.60552 
1 1 1 12  2  16 o 519.9610 18.16903 63.69347       4.443976  59.82282       6.214590  67.74394       6.357304  502.7740 26.36861 535.8312 25.22178 -33.05725      36.48893 
1 1 1 12  2  17 o 776.0217 19.12538 141.9297       6.981571  142.5646       8.493010  140.6064       12.26056  777.3798 23.22518 770.7274 33.81739 6.652344       41.02469 
1 1 1 12  2  18 o 601.8862 17.99694 85.38099       5.095448  82.56336       7.231417  88.15942       7.180953  591.2116 26.00226 611.0194 24.98376 -19.80780      36.05975 
1 1 1 12  2  19 o 325.3518 26.82365 25.19700       4.068663  21.73169       5.724815  28.73378       5.783553  299.2573 41.80925 346.0406 36.05995 -46.78336      55.21172 
1 1 1 12  2  20 o 283.7500 31.08576 19.32192       4.081317  19.14557       5.756266  19.50019       5.787570  279.3813 45.35542 282.0675 45.14106 -2.686249      63.99085 
1 1 1 12  2  21 o 614.2331 19.27520 89.10110       5.569310  91.47827       8.130998  87.00018       7.643935  620.9982 27.83455 605.7908 26.82409 15.20734       38.65610 
1 1 1 12  2  22 o 194.3122 49.64196 9.526317       4.554073  11.33953       5.630728  6.096909       7.743725  211.2676 55.82059 177.7786 67.36596 33.48897       87.48778 
1 1 1 12  2  23 o 175.0217 46.66855 7.735164       3.912567  6.658369       5.549372  8.799501       5.517180  168.8853 57.92426 187.2290 57.29241 -18.34372      81.47171 
1 1 1 12  2  24 o 421.9551 24.04776 42.51631       4.753441  37.78331       6.548177  47.78874       6.911271  394.0865 35.71104 444.4632 33.29817 -50.37671      48.82670 
1 1 1 12  2  25 o 336.8634 31.80674 27.59690       4.980484  34.30440       9.305613  24.90417       5.896038  364.4399 56.07907 316.6340 40.51430 47.80594       69.18288 
1 1 1 12  2  26 o 309.2727 30.30395 23.32617       4.352055  28.06446       6.302581  19.00780       6.016827  334.9391 40.84837 271.2166 48.96258 63.72244       63.76460 
1 1 1 12  2  27 o 329.0616 40.42453 27.27772       6.125769  24.45898       8.673345  30.08324       8.652984  297.3627 63.90859 335.6800 56.82656 -38.31735      85.51939 
1 1 1 12  2  28 o 533.6697 22.58494 68.37006       5.669708  79.32292       8.196748  58.32226       7.850793  569.2193 30.72588 485.2693 34.61944 83.94998       46.28807 
1 1 1 12  2  29 o 147.5602 48.12937 5.617223       3.838161  6.644301       5.467881  4.619588       5.388939  161.2478 57.33576 145.4316 55.93540 15.81619       80.10092 
1 1 1 12  2  30 o 84.27146 39.12140 -2.602887      3.719003  -6.131333      5.009977  1.727787       5.550368  87.25816 41.91938 126.7677 53.72338 -39.50958      68.14277 
1 1 1 12  2  31 o 121.1137 49.22626 2.482739       4.392197  -2.179846      7.456655  4.959936       5.435141  123.1068 56.51530 145.1915 56.08231 -22.08466      79.61913 
1 1 1 12  2  32 o 192.6257 42.60221 10.08668       3.757829  14.74708       5.406641  5.731380       5.226674  227.3638 51.71840 147.9415 55.50199 79.42226       75.86346 
1 1 1 12  2  33 o 82.24414 38.68962 -2.965490      3.841215  3.635553       6.542641  -6.437638      4.745106  137.0378 58.21484 81.02896 39.37491 56.00887       70.28052 
1 1 1 12  2  34 f 169.4692 51.52557 8.821963       4.472237  7.089775       6.114605  10.81451       6.558051  152.1427 59.28423 177.6505 62.83204 -25.50784      86.38567 
1 1 1 12  2  35 o 89.25604 43.36473 -6.013675      5.748359  -6.013675      5.748359  0.000000       0.000000  89.25604 43.36473 ?        ?        0.000000       43.36473 
1 1 1 12  4  0  o 1169.530 13.33853 322.0389       7.338186  307.0750       14.21171  327.4789       8.568852  1140.311 26.49438 1179.160 15.44830 -38.84875      30.66924 
1 1 1 12  4  1  o 236.3896 18.55083 13.25030       2.046254  15.24079       3.882859  12.48492       2.407733  251.5329 33.66021 228.9407 22.65444 22.59221       40.57380 
1 1 1 12  4  2  o 183.8086 19.92846 8.058720       1.695494  10.97351       2.463865  5.436905       2.336762  214.1632 24.92308 148.5786 34.14962 65.58464       42.27714 
1 1 1 12  4  3  o 346.9610 14.61868 28.35389       2.385931  27.80024       3.893923  28.68671       3.019056  342.2757 24.34348 348.3567 18.48994 -6.080963      30.56931 
1 1 1 12  4  4  o 505.4626 12.06940 60.15686       2.869751  58.29580       4.006981  62.11668       4.111935  497.3112 17.12852 513.3567 17.02777 -16.04547      24.15224 
1 1 1 12  4  5  o 463.1697 12.80986 50.52660       2.790961  47.34394       3.814042  54.19532       4.094941  448.0369 18.09683 479.3561 18.16018 -31.31924      25.63761 
1 1 1 12  4  6  o 305.4822 16.71079 22.07118       2.392230  21.00410       3.342286  23.19206       3.425497  297.0669 24.12617 312.3434 23.48621 -15.27655      33.67007 
1 1 1 12  4  7  o 885.4262 15.24854 184.8018       6.351114  188.0885       7.868259  178.6564       10.75907  892.7617 18.73587 868.6769 26.32977 24.08478       32.31547 
1 1 1 12  4  8  o 836.6058 20.00615 165.1880       7.873244  155.7670       10.51696  177.1998       11.87526  811.1461 27.56272 864.8105 29.19125 -53.66443      40.14764 
1 1 1 12  4  9  o 405.5804 16.29762 38.76352       3.109356  38.34615       4.411692  39.17550       4.383036  402.3087 23.41307 406.7025 23.00450 -4.393829      32.82345 
1 1 1 12  4  10 o 364.9491 17.60624 31.38015       3.022513  30.89365       4.361337  31.82974       4.192611  360.8319 25.86643 366.4510 24.46257 -5.619171      35.60182 
1 1 1 12  4  11 o 1194.168 15.42758 335.7738       8.666277  331.5334       12.13978  340.1805       12.37555  1185.960 21.76064 1201.309 21.89981 -15.34973      30.87276 
1 1 1 12  4  12 o 855.9529 17.13748 172.5315       6.900272  172.5624       12.46742  172.5179       8.284904  854.8466 31.00409 855.6884 20.58271 -0.8417358     37.21426 
1 1 1 12  4  13 o 739.0242 16.65731 128.6019       5.790723  137.2473       9.978956  124.2125       7.110351  762.6918 27.81421 726.0724 20.81813 36.61938       34.74226 
1 1 1 12  4  14 o 1187.281 15.92848 331.9060       8.896046  322.8856       12.31221  341.7592       12.86801  1170.422 22.36268 1204.103 22.71844 -33.68054      31.87816 
1 1 1 12  4  15 o 1864.436 20.33965 819.1589       17.83858  852.4833       26.36206  791.0115       24.22795  1899.973 29.49597 1830.520 28.13668 69.45251       40.76377 
1 1 1 12  4  16 o 564.8974 24.37808 75.28391       6.477961  75.28391       6.477961  0.000000       0.000000  564.8974 24.37808 ?        ?        0.000000       24.37808 
1 1 1 12  4  17 o 546.8082 18.01320 70.45663       4.633351  61.55303       6.317902  80.81777       6.815442  509.8663 26.43262 585.1495 24.76041 -75.28326      36.21824 
1 1 1 12  4  18 o 713.4554 17.05880 119.9519       5.725119  116.2842       8.044263  123.7164       8.149850  701.7631 24.36837 723.8922 23.93351 -22.12903      34.15597 
1 1 1 12  4  19 f 956.8157 19.71883 215.9747       8.875214  211.9501       16.06724  217.7419       10.64694  944.5112 36.16303 960.1034 23.57424 -15.59216      43.16838 
1 1 1 12  4  20 o 1110.135 19.80872 290.9305       10.34431  306.1831       18.22046  283.6760       12.56575  1134.767 34.13371 1095.169 24.39147 39.59778       41.95300 
1 1 1 12  4  21 o 183.4253 44.79762 8.413953       3.831971  13.06587       5.669072  4.500394       5.199745  227.4941 53.81691 150.7659 55.59399 76.72823       77.37540 
1 1 1 12  4  22 o 136.9905 48.15873 4.084949       3.847333  -1.038115      5.332885  9.645383       5.555864  115.7803 50.84951 195.6536 56.93129 -79.87328      76.33378 
1 1 1 12  4  23 o 374.0461 34.63433 33.88098       6.024822  33.88098       6.024822  0.000000       0.000000  374.0461 34.63433 ?        ?        0.000000       34.63433 
1 1 1 12  4  24 o 431.0863 23.30658 44.35045       4.708641  42.38292       6.488207  46.53974       6.844082  418.2622 33.25112 438.3323 33.44512 -20.07007      47.16156 
1 1 1 12  4  25 o 538.4901 20.64173 68.96537       5.228692  70.00326       7.409261  67.93572       7.379800  538.7465 29.34686 530.5565 29.68860 8.190002       41.74507 
1 1 1 12  4  26 o 142.6844 55.29162 3.909817       5.296138  0.000000       0.000000  3.909817       5.296138  ?        ?        142.6844 55.29162 0.000000       55.29162 
1 1 1 12  4  27 o 102.1935 43.42958 0.4927158      3.643893  -2.509707      5.180782  3.432138       5.126139  104.0648 47.52425 137.0306 54.01790 -32.96580      71.94781 
1 1 1 12  4  28 o 390.4147 24.77351 36.88439       4.526135  31.36443       6.379375  42.47956       6.422689  352.5676 39.12482 414.5937 33.21132 -62.02609      51.32001 
1 1 1 12  4  29 o 117.0456 50.31953 0.7228100      4.994844  0.7228100      4.994844  0.000000       0.000000  117.0456 50.31953 ?        ?        0.000000       50.31953 
1 1 1 12  4  30 o 121.7645 46.43489 3.112099       3.694048  5.648777       5.272099  0.6656100      5.177529  151.2057 55.93546 117.5442 50.88187 33.66151       75.61574 
1 1 1 12  4  31 o 164.4338 46.78021 7.410549       3.790952  4.505350       5.222857  10.64537       5.511186  140.7352 54.80433 191.7323 56.95397 -50.99707      79.03967 
1 1 1 12  4  32 o 118.9226 47.23302 2.835877       3.946688  5.689656       6.599223  1.246815       4.924397  151.7439 60.80819 115.8735 49.89091 35.87035       78.65583 
1 1 1 12  4  33 o 129.0007 50.93607 3.924683       4.564895  3.944709       6.337653  3.903092       6.580678  137.3664 57.76595 138.2165 58.53209 -0.8500977     82.23692 
1 1 1 12  4  34 o 200.5687 46.79201 11.80837       4.333913  10.87396       5.996891  12.82997       6.270412  179.7906 60.22282 194.2013 61.34548 -14.41068      85.96544 
1 1 1 12  4  35 o 101.9259 47.71880 -1.729489      5.725266  -1.729489      5.725266  0.000000       0.000000  101.9259 47.71880 ?        ?        0.000000       47.71880 
1 1 1 12  6  0  o 432.5995 13.62097 44.08070       2.771809  51.15934       5.298938  41.41424       3.252232  464.6682 24.32705 419.1680 16.49393 45.50015       29.39141 
1 1 1 12  6  1  o 402.7488 18.03753 38.25043       3.417281  43.43044       5.395215  34.78003       4.416050  427.6373 26.95830 382.8313 24.65316 44.80600       36.53120 
1 1 1 12  6  2  o 580.2831 15.68250 79.36257       4.280795  0.000000       0.000000  79.36257       4.280795  ?        ?        580.2831 15.68250 0.000000       15.68250 
1 1 1 12  6  3  o 629.3024 11.34305 93.25080       3.357827  95.24272       4.784877  91.31802       4.713302  635.6299 16.00284 622.3873 16.09886 13.24255       22.69943 
1 1 1 12  6  4  o 256.4159 16.85735 15.57157       2.021978  17.56774       2.827222  13.48154       2.892927  271.7691 22.31209 237.2151 26.37181 34.55400       34.54420 
1 1 1 12  6  5  f 356.8677 14.36050 30.01212       2.410716  24.71467       3.281189  36.22575       3.553618  322.7195 21.74073 391.7687 19.28287 -69.04926      29.06009 
1 1 1 12  6  6  o 771.2934 12.37870 140.1118       4.491217  143.0164       6.483568  137.4322       6.227262  778.6895 17.70029 763.3787 17.34155 15.31085       24.77962 
1 1 1 12  6  7  o 634.2104 12.68813 94.72484       3.785301  99.31174       5.467840  90.50335       5.245526  648.9708 17.91106 619.5148 17.99981 29.45599       25.39290 
1 1 1 12  6  8  o 941.1052 19.14865 208.8170       8.477068  208.8170       8.477068  0.000000       0.000000  941.1052 19.14865 ?        ?        0.000000       19.14865 
1 1 1 12  6  9  o 560.6484 13.95909 74.00539       3.681434  80.38942       5.387589  68.41361       5.042222  584.0405 19.61021 538.7682 19.89531 45.27222       27.93535 
1 1 1 12  6  10 o 200.8287 28.12161 9.703433       2.583802  10.88106       3.696631  8.578551       3.612905  211.1343 38.64424 186.5874 42.15656 24.54695       57.18874 
1 1 1 12  6  11 o 1250.954 15.67087 368.4308       9.221549  369.2725       13.04387  367.5898       13.03861  1251.759 22.15218 1248.899 22.19396 2.859985       31.35747 
1 1 1 12  6  12 o 1464.923 19.72824 505.5233       13.59479  555.5886       25.34675  485.3044       16.10768  1533.176 35.14479 1434.815 23.86535 98.36169       42.48189 
1 1 1 12  6  13 f 1668.865 18.65505 655.9983       14.64492  681.3901       21.45297  633.8386       20.04112  1699.560 26.83377 1639.334 25.98873 60.22510       37.35593 
1 1 1 12  6  14 o 1030.853 15.50857 250.2054       7.520344  251.9805       10.62117  248.4208       10.64963  1033.960 21.83731 1026.610 22.05261 7.350708       31.03523 
1 1 1 12  6  15 o 584.1763 17.11029 80.37970       4.701871  82.74986       6.696287  78.07472       6.603582  592.3163 24.03317 575.3161 24.40078 17.00024       34.24897 
1 1 1 12  6  16 o 1007.512 16.17644 239.0870       7.666595  262.0630       11.50026  220.7082       10.28555  1054.023 23.19467 967.3605 22.60320 86.66284       32.38669 
1 1 1 12  6  17 o 780.4437 16.43163 143.4964       6.032420  142.7495       8.426788  144.2814       8.639446  777.7900 23.03193 781.9014 23.48901 -4.111389      32.89686 
1 1 1 12  6  18 o 700.6499 17.07184 115.7012       5.626660  116.9426       8.003396  114.4880       7.911991  703.6692 24.17890 696.2476 24.15754 7.421570       34.17903 
1 1 1 12  6  19 o 315.9785 29.52520 23.85691       4.337678  23.35018       7.078202  24.16167       5.489197  308.0078 50.61150 316.4878 37.60690 -8.479950      63.05397 
1 1 1 12  6  20 o 346.8344 29.99193 28.76274       4.845082  27.53865       9.308225  29.21764       5.674382  330.8315 62.09289 348.5547 35.08500 -17.72327      71.31959 
1 1 1 12  6  21 o 118.3204 46.06660 2.168587       3.689651  -0.2645335     5.213890  4.609308       5.222026  118.8147 51.24627 151.5344 55.73772 -32.71973      75.71574 
1 1 1 12  6  22 o 738.7332 20.45035 129.2050       7.106533  137.4700       9.068530  116.0523       11.43991  760.6561 25.34424 694.8542 35.11312 65.80182       43.30429 
1 1 1 12  6  23 o 444.4922 22.65996 47.04629       4.722245  48.75069       6.658700  45.32171       6.697999  449.9071 31.66471 433.2389 33.11697 16.66818       45.81908 
1 1 1 12  6  24 o 170.3185 45.85127 7.399953       3.754951  1.996228       5.400133  12.45850       5.224811  132.2803 54.26601 219.4548 51.49800 -87.17450      74.81206 
1 1 1 12  6  25 o 263.2256 33.63164 17.05091       4.069139  25.16982       5.911909  9.741952       5.609275  317.7981 40.46433 192.6331 57.51264 125.1650       70.32116 
1 1 1 12  6  26 o 73.90754 35.42963 -4.683768      3.536577  -5.259992      5.098765  -4.149518      4.909552  92.77473 43.92346 94.55240 44.24195 -1.777672      62.34277 
1 1 1 12  6  27 o 331.8409 27.30175 26.78382       4.223961  24.78908       5.953998  28.80503       5.993363  312.5530 41.52413 339.0311 38.24900 -26.47806      56.45564 
1 1 1 12  6  28 o 150.9754 51.00939 5.777949       4.302701  5.160858       5.215583  7.092747       7.613030  149.3769 55.56015 172.6945 66.46681 -23.31758      86.63006 
1 1 1 12  6  29 o 136.5752 47.96660 4.550007       3.816261  7.145637       5.231763  1.598426       5.578971  164.5157 56.24429 127.0809 53.85917 37.43475       77.87317 
1 1 1 12  6  30 o 178.6768 46.61129 8.655445       3.958755  7.949241       5.596812  9.362514       5.600240  170.1298 58.17339 182.1078 58.02260 -11.97798      82.16304 
1 1 1 12  6  31 o 102.0786 44.78984 -0.1443303E-01 4.129054  -3.148038      7.026583  1.638378       5.103095  115.8134 53.76767 120.9026 51.38800 -5.089218      74.37533 
1 1 1 12  6  32 f 107.7554 46.04145 1.094987       4.135729  -13.07670      7.087166  8.412895       5.092786  89.84411 44.52428 169.3345 55.45056 -79.49035      71.11382 
1 1 1 12  6  33 o 67.69968 32.87467 -4.763472      3.292294  -3.787158      5.861667  -5.213407      3.979253  100.1357 47.31371 75.38445 36.49480 24.75130       59.75331 
1 1 1 12  6  34 o 160.2266 50.81933 7.919586       4.299807  4.961356       5.926708  11.20690       6.247669  137.1215 56.61829 180.1402 61.46355 -43.01874      83.56673 
1 1 1 12  8  0  o 341.4910 12.42141 27.46809       1.995352  29.23355       3.597668  26.68376       2.397968  351.0858 21.89313 336.4610 15.15093 14.62476       26.62442 
1 1 1 12  8  1  o 398.4700 13.60477 37.40910       2.550094  0.000000       0.000000  37.40910       2.550094  ?        ?        398.4700 13.60477 0.000000       13.60477 
1 1 1 12  8  2  o 825.9693 12.29596 160.6803       4.777444  164.0904       10.21871  159.7264       5.404454  832.6934 26.08804 823.3519 13.95395 9.341553       29.58544 
1 1 1 12  8  3  o 661.5246 11.51302 103.0450       3.582651  106.1627       5.158164  100.1391       4.979809  671.0696 16.34024 651.7624 16.24255 19.30719       23.03961 
1 1 1 12  8  4  o 230.1443 18.12403 12.56763       1.946236  8.275857       2.637623  17.69713       2.883581  184.3129 31.55683 272.8094 22.67551 -88.49643      38.85888 
1 1 1 12  8  5  o 135.1075 30.48941 4.492767       1.891732  4.110923       2.644329  4.893047       2.707413  130.9910 39.57436 141.3750 39.29486 -10.38408      55.76931 
1 1 1 12  8  6  o 1048.783 13.41413 258.9972       6.617858  263.3749       9.471785  254.8219       9.250277  1057.011 19.04948 1039.723 18.91333 17.28809       26.84394 
1 1 1 12  8  7  o 670.5972 14.23058 105.8811       4.489042  110.2979       5.694807  98.63259       7.295338  684.2457 17.69284 646.6128 23.98456 37.63287       29.80429 
1 1 1 12  8  8  o 1433.168 16.20350 483.6664       10.92384  488.9025       15.50943  478.5117       15.38856  1440.058 22.89531 1424.663 22.96235 15.39514       32.42629 
1 1 1 12  8  9  o 1143.792 17.21643 308.0771       9.263164  313.2921       11.32980  297.5624       16.08755  1153.103 20.88743 1122.657 30.46307 30.44617       36.93620 
1 1 1 12  8  10 o 176.7297 32.97756 7.614000       2.640717  4.536627       3.629341  11.07595       3.849445  141.7276 46.82978 212.9468 39.89489 -71.21918      61.51936 
1 1 1 12  8  11 o 817.8215 16.04132 157.4668       6.171178  151.3377       9.782390  161.5183       7.953488  801.1024 25.95898 828.0201 20.41961 -26.91772      33.02770 
1 1 1 12  8  12 o 1166.468 15.48548 320.3364       8.497019  318.1066       11.93441  322.6288       12.10051  1161.843 21.83655 1170.057 21.98505 -8.213745      30.98673 
1 1 1 12  8  13 o 1871.726 23.41548 825.9650       20.61649  821.3437       36.27278  828.1704       25.05740  1861.760 41.41787 1873.162 28.43749 -11.40198      50.24073 
1 1 1 12  8  14 o 981.8693 15.42623 227.0061       7.124967  223.4482       9.950417  230.7498       10.20693  973.6038 21.72650 989.3621 21.93161 -15.75836      30.87128 
1 1 1 12  8  15 o 911.6520 17.81042 195.8037       7.637877  187.8477       9.346088  211.8014       13.25294  892.5212 22.26086 946.7528 29.75818 -54.23157      37.16309 
1 1 1 12  8  16 o 1472.420 17.98106 510.8922       12.45422  519.7029       17.89739  502.6202       17.34159  1483.605 25.64497 1459.101 25.26588 24.50427       36.00041 
1 1 1 12  8  17 o 534.0519 18.94624 67.24455       4.759659  78.40759       6.844954  56.79409       6.622887  576.1381 25.25659 489.1773 28.90979 86.96078       38.38843 
1 1 1 12  8  18 o 956.1819 16.41855 215.4994       7.384900  214.2905       10.53170  216.6688       10.35811  952.4324 23.50689 957.7937 22.99002 -5.361267      32.88031 
1 1 1 12  8  19 f 471.2365 20.51537 52.44005       4.547657  61.92047       6.714429  44.40533       6.181314  510.4174 28.07287 431.5139 30.65146 78.90341       41.56438 
1 1 1 12  8  20 o 317.7649 26.42889 24.10586       3.914681  25.30711       5.567423  22.93119       5.505487  323.3480 37.28610 307.1872 38.97688 16.16086       53.93932 
1 1 1 12  8  21 o 405.2748 23.04549 39.05056       4.375292  37.63801       6.369059  40.31286       6.020812  395.1917 34.60967 409.9254 31.46350 -14.73373      46.77372 
1 1 1 12  8  22 o 529.6965 20.37395 66.47213       5.076586  63.84713       7.114341  69.19536       7.246229  516.3176 29.41372 537.7855 28.74812 -21.46790      41.12932 
1 1 1 12  8  23 o 272.4829 31.76152 18.05783       3.994689  15.86238       5.604868  20.32439       5.694896  249.4925 49.50455 285.3542 43.82745 -35.86169      66.11767 
1 1 1 12  8  24 o 140.1456 50.85544 4.264177       4.326216  0.1269033      5.083118  15.13674       8.240226  117.6245 50.66656 236.2316 69.50478 -118.6070      86.01172 
1 1 1 12  8  25 o 149.5298 49.78465 5.483306       4.098948  19.06956       7.172795  -1.104965      4.994871  267.1325 58.68494 109.4193 48.57969 157.7132       76.18339 
1 1 1 12  8  26 o 285.2950 31.72332 20.01847       4.185285  29.24327       6.216308  12.36969       5.660439  341.7603 39.38796 214.2966 55.65508 127.4636       68.18284 
1 1 1 12  8  27 o 136.4257 51.10185 4.020973       4.427419  -4.078478      7.700097  8.021173       5.411395  122.6887 56.72081 174.3337 57.16222 -51.64500      80.52807 
1 1 1 12  8  28 o 345.8048 41.09066 30.44551       6.553277  0.000000       0.000000  30.44551       6.553277  ?        ?        345.8048 41.09066 0.000000       41.09066 
1 1 1 12  8  29 o 235.2158 38.87873 14.22585       4.151486  9.788720       5.671332  19.34826       6.093556  187.1852 58.22216 268.2885 50.12682 -81.10330      76.82785 
1 1 1 12  8  30 o 100.1899 44.85622 -0.9262639     4.352684  1.171047       5.130809  -6.310940      8.221181  119.4524 51.16692 117.0899 55.53371 2.362434       75.51189 
1 1 1 12  8  31 o 129.0712 48.40218 3.932156       3.974193  -3.469085      6.425497  8.517636       5.057628  109.1615 50.92421 172.3209 55.16503 -63.15940      75.07633 
1 1 1 12  8  32 o 74.71709 35.59929 -3.632318      3.455568  1.835910       5.455349  -7.296531      4.465701  122.3014 52.58382 75.73888 37.10475 46.56255       64.35698 
1 1 1 12  8  33 o 92.17939 44.16239 -5.020809      5.476619  0.000000       0.000000  -5.020809      5.476619  ?        ?        92.17939 44.16239 0.000000       44.16239 
1 1 1 12  8  34 o 126.0023 47.89136 4.327749       3.921182  3.260999       5.616894  5.341856       5.476546  125.2950 53.59913 137.3253 55.26591 -12.03033      76.98823 
1 1 1 12  10 0  o 315.1095 13.26871 23.37901       1.966797  28.64745       5.679287  22.66105       2.096531  345.9203 35.40059 310.2048 14.36757 35.71548       38.20509 
1 1 1 12  10 1  o 302.6178 14.52071 21.56586       2.067053  21.41498       4.979972  21.59726       2.272017  298.4579 36.21268 302.3741 16.03066 -3.916290      39.60228 
1 1 1 12  10 2  o 451.8679 12.01352 48.06307       2.553588  47.91915       5.882314  48.09649       2.834617  449.5365 27.95569 451.9829 13.33224 -2.446350      30.97207 
1 1 1 12  10 3  o 438.3302 13.54545 45.23290       2.792956  43.07373       6.138073  45.79667       3.136461  425.7949 30.85448 441.0019 15.11924 -15.20703      34.35971 
1 1 1 12  10 4  o 365.6689 17.09863 31.49311       2.941160  32.16409       6.025601  31.28325       3.369869  367.0506 35.33495 363.8296 19.76416 3.221039       40.48680 
1 1 1 12  10 5  o 1089.928 13.48028 279.6272       6.911403  283.9956       9.829713  275.3561       9.719617  1097.977 19.03172 1081.140 19.11164 16.83716       26.97149 
1 1 1 12  10 6  o 1196.900 16.22299 337.3002       9.133938  335.4475       11.20837  340.9632       15.75981  1193.282 19.96779 1202.136 27.86942 -8.854370      34.28436 
1 1 1 12  10 7  o 672.7527 12.95112 106.5195       4.098566  105.8975       5.727408  107.1724       5.867629  670.5775 18.15682 674.5862 18.49081 -4.008667      25.91486 
1 1 1 12  10 8  o 751.2817 14.74176 132.8609       5.209805  141.6171       8.399984  127.3870       6.641508  775.1907 23.03566 735.4351 19.19787 39.75562       29.98666 
1 1 1 12  10 9  o 514.7750 17.41711 62.39724       4.217575  60.57167       4.830558  68.25208       8.650802  507.0878 20.25092 536.4086 34.46645 -29.32080      39.97544 
1 1 1 12  10 10 o 1017.649 17.05397 243.8497       8.163809  251.0312       10.02328  229.6968       14.07105  1032.257 20.64205 986.4818 30.32272 45.77478       36.68190 
1 1 1 12  10 11 o 598.9633 14.89644 84.45668       4.197126  85.50817       5.923018  83.39617       5.948328  602.4156 20.90150 594.9113 21.25561 7.504333       29.81063 
1 1 1 12  10 12 f 630.9956 14.98190 93.73892       4.446952  92.26443       6.233910  95.26666       6.345453  625.7055 21.17977 635.8019 21.21639 -10.09644      29.97862 
1 1 1 12  10 13 o 1064.341 15.40683 266.7426       7.713711  280.0247       11.20607  254.7819       10.63406  1089.894 21.85746 1039.622 21.74474 50.27222       30.83152 
1 1 1 12  10 14 o 712.0905 21.93631 119.5651       7.347980  138.6148       12.71714  110.0178       9.002921  765.1879 35.33067 682.5245 28.04115 82.66345       45.10612 
1 1 1 12  10 15 o 942.6620 15.60771 209.3007       6.920931  213.2897       9.867266  205.4379       9.709979  950.9269 22.05872 933.2523 22.11821 17.67456       31.23783 
1 1 1 12  10 16 o 587.9883 17.01897 81.47323       4.707294  81.23726       6.695419  81.70387       6.619470  586.5524 24.26619 588.2670 23.92101 -1.714600      34.07437 
1 1 1 12  10 17 o 913.3384 16.26447 196.6054       6.987807  204.8645       10.10790  189.0447       9.671068  931.3579 23.07146 894.6901 22.97907 36.66785       32.56271 
1 1 1 12  10 18 f 176.4712 52.26323 7.632825       4.645960  10.82640       6.039194  3.002378       7.271969  208.3234 58.96700 157.7083 63.60824 50.61505       86.73590 
1 1 1 12  10 19 o 132.6692 45.82074 3.868504       3.475470  3.086449       5.010337  4.593775       4.825013  138.5473 53.75382 148.9540 53.75993 -10.40674      76.02370 
1 1 1 12  10 20 o 375.9819 22.90655 33.61029       4.031992  28.27011       5.559974  39.53366       5.855710  342.1142 35.04327 406.1947 30.87733 -64.08051      46.70589 
1 1 1 12  10 21 o 252.8274 32.43308 15.53203       3.768352  18.77302       5.252843  12.09536       5.409099  275.7209 41.81164 217.5737 53.27654 58.14728       67.72446 
1 1 1 12  10 22 f 319.5075 27.00976 24.52200       4.021456  28.64853       5.740673  20.54572       5.635188  342.8607 36.13822 287.5536 42.97873 55.30713       56.15285 
1 1 1 12  10 23 o 160.5907 44.63849 6.544852       3.493722  9.630764       4.905046  3.367115       4.977489  192.8992 52.60450 137.9808 53.56529 54.91838       75.07646 
1 1 1 12  10 24 o 273.7290 34.43438 18.45348       4.335741  18.97444       7.150697  18.15060       5.452344  267.3752 58.48156 267.3964 44.94115 -0.2120972E-01 73.75500 
1 1 1 12  10 25 o 261.4261 39.67354 17.19600       4.725638  19.28156       5.785251  13.01427       8.191989  273.9834 46.55356 217.3502 70.27389 56.63326       84.29504 
1 1 1 12  10 26 f 144.6483 48.13070 5.193521       3.831331  6.127870       5.414758  4.256709       5.421890  159.2155 57.00923 145.0550 56.01828 14.16058       79.92559 
1 1 1 12  10 27 o 179.1739 50.90877 8.573088       4.492568  9.166574       5.556255  7.452438       7.635055  184.2044 57.68318 175.8457 66.82948 8.358627       88.28097 
1 1 1 12  10 28 o 168.6282 52.47897 7.610410       4.606933  1.582343       8.597248  10.03860       5.456473  149.2504 65.07981 190.7953 56.66940 -41.54489      86.29485 
1 1 1 12  10 29 o 145.9173 48.34201 5.524139       3.866583  2.829866       5.466929  8.220867       5.469420  132.8891 54.56801 173.0859 57.50251 -40.19678      79.27299 
1 1 1 12  10 30 o 127.3904 52.06158 2.772720       4.946723  0.000000       0.000000  2.772720       4.946723  ?        ?        127.3904 52.06158 0.000000       52.06158 
1 1 1 12  10 31 o 126.1201 51.16072 3.046057       4.733558  6.673604       6.313059  -1.612366      7.154065  157.7344 60.57153 121.0164 55.48225 36.71803       82.14128 
1 1 1 12  10 32 o 226.0242 41.46794 13.91667       4.246486  17.33056       6.099008  10.70452       5.916047  240.8716 55.03191 184.6626 59.72082 56.20900       81.21014 
1 1 1 12  10 33 o 107.5940 45.17020 1.821328       3.864639  -0.8947682E-01 5.383809  3.852556       5.550869  109.0787 49.27042 130.6965 54.44624 -21.61781      73.43002 
1 1 1 12  12 0  o 752.4692 17.68577 133.3342       6.260111  133.3342       6.260111  0.000000       0.000000  752.4692 17.68577 ?        ?        0.000000       17.68577 
1 1 1 12  12 1  o 913.7460 12.08967 196.4861       5.196479  202.7140       8.272395  192.4267       6.678634  927.7383 18.95555 904.0852 15.70395 23.65314       24.61559 
1 1 1 12  12 2  o 492.6660 10.93770 57.11347       2.534825  73.09751       7.290730  54.91565       2.703484  555.9749 27.96631 483.0739 11.89709 72.90091       30.39170 
1 1 1 12  12 3  o 263.7967 16.86830 16.45122       2.082240  9.331154       5.278972  17.76309       2.265960  195.4657 55.06206 274.0892 17.66896 -78.62350      57.82753 
1 1 1 12  12 4  o 1541.345 19.22959 559.5251       13.94245  583.2343       26.07950  550.0369       16.49805  1571.179 35.28615 1527.786 22.95624 43.39282       42.09634 
1 1 1 12  12 5  o 469.5167 19.07987 51.91696       4.214011  61.26636       7.475627  47.56243       5.101835  508.5159 31.40542 448.5620 24.26907 59.95395       39.68990 
1 1 1 12  12 6  o 1340.493 15.18810 422.9887       9.577168  414.2436       13.18932  432.7426       13.92927  1326.047 21.14433 1355.259 21.84927 -29.21155      30.40515 
1 1 1 12  12 7  o 661.7953 12.67129 103.0726       3.944700  107.2334       5.515355  98.71515       5.644170  674.8455 17.37400 647.4378 18.53245 27.40765       25.40290 
1 1 1 12  12 8  o 700.4310 13.07559 115.4660       4.308201  115.3998       5.998053  115.5365       6.192008  700.0150 18.21519 700.4009 18.79384 -0.3858643     26.17253 
1 1 1 12  12 9  o 1457.251 16.43194 500.0101       11.26399  504.2339       15.97488  495.8337       15.88488  1462.603 23.21892 1450.360 23.28299 12.24292       32.88184 
1 1 1 12  12 10 o 158.1843 42.12920 6.137002       3.190873  8.332343       3.789461  0.7874555      5.915410  183.8130 44.33838 133.9107 56.03086 49.90225       71.45173 
1 1 1 12  12 11 o 1024.968 14.75274 247.3376       7.112988  244.0264       9.817480  250.9964       10.31988  1017.613 20.50916 1031.970 21.25878 -14.35681      29.53915 
1 1 1 12  12 12 o 674.5004 14.81170 107.1208       4.699553  104.2624       6.523853  110.2041       6.775638  665.0873 20.85241 683.7606 21.06575 -18.67328      29.64100 
1 1 1 12  12 13 o 200.9904 36.43786 9.860792       3.318204  13.35954       4.288808  4.643282       5.237352  234.0448 40.41660 153.6310 55.92351 80.41383       68.99957 
1 1 1 12  12 14 o 219.0756 30.77074 11.57146       3.083601  8.618320       4.154565  15.19385       4.601316  186.5961 47.27585 249.8212 40.54461 -63.22504      62.28058 
1 1 1 12  12 15 o 628.1135 23.40111 93.14285       6.914230  0.000000       0.000000  93.14285       6.914230  ?        ?        628.1135 23.40111 0.000000       23.40111 
1 1 1 12  12 16 o 754.0797 17.68127 134.0791       6.271914  128.1974       7.767868  145.0951       10.63072  736.7957 22.41225 782.8170 28.86909 -46.02136      36.54768 
1 1 1 12  12 17 o 499.3796 20.06006 58.88000       4.712294  66.64686       7.457041  53.71653       6.080149  529.2000 30.07976 475.4388 27.30081 53.76111       40.62175 
1 1 1 12  12 18 o 255.5261 29.73306 15.71529       3.507092  13.79610       4.858541  17.80322       5.067616  235.6624 45.47490 269.5891 41.27447 -33.92668      61.41293 
1 1 1 12  12 19 o 307.1557 32.21323 22.74056       4.585099  28.48985       5.410707  8.094531       8.635886  343.7512 33.90263 194.8716 71.67763 148.8797       79.29105 
1 1 1 12  12 20 o 537.7224 20.78603 68.48415       5.257739  71.24360       6.708591  64.09038       8.465220  547.3614 26.05481 515.7535 35.10088 31.60791       43.71412 
1 1 1 12  12 21 o 187.8794 41.45871 8.889068       3.565866  3.450273       4.915257  14.93191       5.181024  138.9257 53.42352 243.1827 46.99181 -104.2570      71.14986 
1 1 1 12  12 22 o 223.8391 43.15320 12.64542       4.379067  11.63496       8.770898  12.98094       5.054062  213.3743 72.82492 224.9591 49.13597 -11.58479      87.85109 
1 1 1 12  12 23 o 354.6360 24.48272 30.18184       4.059231  33.12649       5.904110  27.54219       5.590000  368.1179 34.49796 334.7934 36.06400 33.32452       49.90713 
1 1 1 12  12 24 o 354.2627 31.16044 30.59132       5.139940  39.00261       6.171588  11.54875       9.285995  399.4359 33.14529 209.6591 74.70081 189.7768       81.72405 
1 1 1 12  12 25 o 116.4212 45.28168 2.385243       3.562243  1.693765       5.006468  3.094291       5.069669  124.8878 51.84006 134.7831 53.53259 -9.895264      74.51933 
1 1 1 12  12 26 o 83.84751 39.47363 -3.838388      4.012408  -0.8868933     5.088757  -8.689061      6.523666  110.6146 49.07587 97.92518 47.23688 12.68941       68.11581 
1 1 1 12  12 27 o 171.4349 45.35907 7.753095       3.714612  5.007307       5.351930  10.30532       5.159843  149.0512 56.11513 194.6115 54.30238 -45.56030      78.08749 
1 1 1 12  12 28 o 239.4191 37.08021 14.59524       4.041078  9.655705       5.608872  19.92695       5.827278  186.5377 57.88095 274.9298 46.73077 -88.39211      74.39066 
1 1 1 12  12 29 o 404.2486 26.74607 40.03194       5.057277  52.58621       8.918036  34.08092       6.140007  450.4359 42.59438 366.9550 36.03508 83.48093       55.79254 
1 1 1 12  12 30 o 262.4392 33.03427 17.48905       3.987785  14.07253       6.241225  19.84609       5.183962  218.0298 59.28891 274.3299 41.46541 -56.30009      72.35022 
1 1 1 12  12 31 o 167.1078 44.41187 7.764574       3.550850  7.901309       6.033950  7.692136       4.391829  164.4976 60.00360 163.5975 51.29263 0.9001007      78.93900 
1 1 1 12  12 32 o 75.57935 36.27382 -4.226319      3.731452  -6.866826      5.327942  -1.684305      5.227630  85.69525 41.66106 102.0481 47.02207 -16.35286      62.82292 
1 1 1 12  14 0  o 1038.152 12.54954 253.6375       6.128553  269.9121       9.598248  242.4355       7.963135  1070.535 19.05995 1014.742 16.68242 55.79279       25.32953 
1 1 1 12  14 1  f 1062.905 13.12843 265.8904       6.564116  268.2630       10.21338  264.2207       8.568002  1067.163 20.34555 1059.322 17.19420 7.840698       26.63798 
1 1 1 12  14 2  o 1212.691 13.62346 346.1278       7.771537  350.7729       17.46101  344.9803       8.678520  1219.140 30.44714 1210.576 15.23998 8.564209       34.04828 
1 1 1 12  14 3  o 302.8747 13.47839 21.59027       1.920306  16.13258       6.028130  22.20667       2.025845  256.1180 51.81444 307.1592 14.02082 -51.04123      53.67793 
1 1 1 12  14 4  o 972.8134 29.26653 223.3056       13.39276  223.3056       13.39276  0.000000       0.000000  972.8134 29.26653 ?        ?        0.000000       29.26653 
1 1 1 12  14 5  o 439.5603 14.51019 45.48091       3.000273  50.17836       7.380901  44.55109       3.283816  459.5722 34.39111 435.0045 16.04781 24.56778       37.95103 
1 1 1 12  14 6  o 1377.007 15.88005 446.4235       10.28626  471.7599       22.83208  439.9716       11.52176  1412.939 34.35207 1366.832 17.91985 46.10620       38.74514 
1 1 1 12  14 7  o 419.2743 13.89243 41.37922       2.739969  39.40156       3.562781  44.24215       4.286664  409.0057 18.51784 433.3130 21.03045 -24.30725      28.02125 
1 1 1 12  14 8  o 217.3273 22.65055 11.25368       2.281568  12.50913       2.974982  9.460722       3.555259  228.4990 28.28183 196.3912 39.84612 32.10780       48.86282 
1 1 1 12  14 9  o 2209.414 25.22940 1151.492       26.22124  1242.866       48.11982  1112.902       31.27195  2288.277 44.70396 2170.578 30.62741 117.6995       54.18932 
1 1 1 12  14 10 o 462.7907 14.85955 50.42890       3.234891  50.99092       4.363220  49.74289       4.820543  465.1606 19.94045 459.3201 22.31060 5.840576       29.92297 
1 1 1 12  14 11 o 920.7748 16.82586 199.7099       7.287858  196.9422       8.464712  207.6397       14.32765  914.1186 19.68522 936.9543 32.50779 -22.83569      38.00348 
1 1 1 12  14 12 o 1083.216 15.11792 276.3439       7.703292  273.0234       10.55435  280.1292       11.26892  1076.041 20.85132 1089.800 21.98196 -13.75891      30.29825 
1 1 1 12  14 13 o 1006.251 15.16855 238.5099       7.179921  248.0414       10.20948  229.1830       10.09930  1025.430 21.16549 985.5927 21.78334 39.83728       30.37255 
1 1 1 12  14 14 o 666.6385 15.18156 104.7050       4.760757  106.3327       6.588132  102.9262       6.887282  671.2874 20.86337 660.3082 22.17338 10.97925       30.44567 
1 1 1 12  14 15 o 443.4949 17.88548 46.38995       3.731286  40.45634       4.922202  54.40605       5.721128  412.8005 25.47281 478.9350 25.48598 -66.13452      36.03331 
1 1 1 12  14 16 o 378.5323 29.86395 34.21434       5.274455  0.000000       0.000000  34.21434       5.274455  ?        ?        378.5323 29.86395 0.000000       29.86395 
1 1 1 12  14 17 o 602.5841 16.92373 85.69794       4.797148  92.80098       6.810777  78.70474       6.757916  626.1270 23.12410 576.3171 24.92769 49.80994       34.00167 
1 1 1 12  14 18 o 380.9198 21.62800 34.46159       3.859444  28.58788       5.147465  42.00319       5.832689  344.7056 32.11466 418.9561 29.79001 -74.25052      43.80407 
1 1 1 12  14 19 o 598.9282 26.42803 85.34039       7.445756  79.69679       12.18439  88.70393       9.406417  570.7000 45.77164 607.8351 33.02188 -37.13519      56.44013 
1 1 1 12  14 20 f 722.6387 17.43460 123.5396       5.926557  125.1371       8.259451  121.8441       8.508951  725.3484 24.20668 715.3790 25.28544 9.969421       35.00453 
1 1 1 12  14 21 o 123.2016 44.66891 3.178820       3.336651  5.597434       4.728730  0.7805440      4.708806  154.7821 53.44812 117.9348 49.70383 36.84722       72.98749 
1 1 1 12  14 22 o 314.2585 28.74194 23.90349       4.201810  29.90488       6.696112  20.00558       5.396508  346.6949 41.90948 282.7500 41.83634 63.94492       59.21726 
1 1 1 12  14 23 o 310.1651 41.42023 24.09652       5.892313  18.20749       10.37983  26.89655       7.157321  252.8512 78.78601 324.5659 48.35528 -71.71472      92.44170 
1 1 1 12  14 24 o 215.0365 35.80390 11.58251       3.494345  10.93513       4.731914  12.35896       5.182231  203.9566 49.76184 216.3056 51.64433 -12.34895      71.71735 
1 1 1 12  14 25 o 192.2672 44.85056 9.630428       3.982077  9.269223       4.940451  10.30024       6.727674  186.5830 53.51149 195.4747 63.71897 -8.891724      83.20809 
1 1 1 12  14 26 o 258.3778 38.92426 16.90870       4.584101  16.25856       5.391100  18.60583       8.710320  249.0046 47.76329 253.2899 70.51010 -4.285248      85.16458 
1 1 1 12  14 27 o 172.5062 43.80840 7.850610       3.561595  2.306553       4.849731  14.34129       5.247460  125.9119 51.51347 231.4058 49.69065 -105.4938      71.57372 
1 1 1 12  14 28 o 149.9710 48.88236 5.901354       3.959449  3.700952       6.036838  7.562527       5.245248  142.0650 57.72315 167.3066 56.32100 -25.24153      80.64748 
1 1 1 12  14 29 o 371.0764 32.71319 34.57183       5.651831  0.000000       0.000000  34.57183       5.651831  ?        ?        371.0764 32.71319 0.000000       32.71319 
1 1 1 12  14 30 o 312.9688 27.26354 24.33328       3.973680  26.73603       6.616419  22.97766       4.969797  313.6007 46.23891 298.2182 36.16692 15.38251       58.70334 
1 1 1 12  14 31 o 81.92081 38.11223 -2.251999      3.560141  -1.062129      5.298579  -3.231272      4.806860  106.1846 48.32491 92.46903 43.42915 13.71556       64.97221 
1 1 1 12  14 32 o 139.5965 55.11595 5.309156       5.344489  5.309156       5.344489  0.000000       0.000000  139.5965 55.11595 ?        ?        0.000000       55.11595 
1 1 1 12  16 0  o 1046.775 12.85263 257.8999       6.328703  275.8340       9.933558  245.6469       8.210794  1082.064 19.51563 1021.331 17.09028 60.73297       25.94104 
1 1 1 12  16 1  o 1541.983 16.40664 559.8785       11.90059  578.4755       18.17133  545.9116       15.74764  1566.260 24.66343 1521.937 21.99629 44.32275       33.04726 
1 1 1 12  16 2  o 382.7287 11.47473 34.47186       2.065869  41.23068       6.551144  33.72552       2.176943  416.3327 33.74107 378.5486 12.22520 37.78403       35.88754 
1 1 1 12  16 3  f 850.2295 12.94234 170.1473       5.176287  183.0856       11.75977  167.0381       5.764786  880.7543 28.38406 842.3452 14.54869 38.40918       31.89544 
1 1 1 12  16 4  o 1107.757 13.35850 288.8476       6.960999  297.2652       16.21962  286.9472       7.706845  1121.897 30.73395 1104.006 14.84007 17.89124       34.12922 
1 1 1 12  16 5  o 712.7086 11.95817 119.5484       4.009093  125.7432       10.31462  118.4460       4.351219  729.6901 30.05007 709.3715 13.03971 20.31854       32.75729 
1 1 1 12  16 6  o 767.3543 15.45962 138.6493       5.580384  160.6124       11.86296  132.4083       6.323731  824.5547 30.58470 749.7404 17.93053 74.81433       35.45318 
1 1 1 12  16 7  o 1252.612 17.79005 369.6134       10.48246  355.2319       18.83068  376.0710       12.61831  1225.747 32.65846 1263.090 21.23720 -37.34326      38.95631 
1 1 1 12  16 8  o 1121.849 15.76957 296.3948       8.321920  295.6897       13.04476  296.8787       10.80661  1119.451 24.77204 1122.267 20.47028 -2.816040      32.13544 
1 1 1 12  16 9  o 174.4413 27.09712 7.354743       2.151372  9.922468       2.763802  3.406676       3.427085  202.7516 29.87359 128.3000 45.41630 74.45157       54.36057 
1 1 1 12  16 10 f 426.6925 15.08023 42.88142       3.026860  43.37544       3.952368  42.18070       4.707129  428.9401 19.58806 422.0928 23.80427 6.847290       30.82751 
1 1 1 12  16 11 o 966.9355 14.24844 220.2042       6.480881  223.4266       8.994183  216.7243       9.346677  973.3885 19.64293 958.5370 20.72903 14.85156       28.55761 
1 1 1 12  16 12 o 581.4541 17.11947 79.69476       4.682472  80.37247       5.301118  77.28895       9.987990  583.7462 19.30519 569.0287 37.52489 14.71747       42.19962 
1 1 1 12  16 13 o 678.2177 18.99459 108.5251       6.059940  106.4209       11.29380  109.3759       7.181263  667.9661 36.07696 680.4528 22.43538 -12.48676      42.48404 
1 1 1 12  16 14 o 678.8237 14.96265 108.6213       4.777877  100.4574       6.225051  120.3255       7.453552  652.2105 20.29018 713.5118 22.20715 -61.30133      30.08070 
1 1 1 12  16 15 o 673.9772 15.55180 107.1334       4.930549  94.14445       6.379422  126.4030       7.770172  631.0123 21.49187 730.9695 22.59759 -99.95715      31.18576 
1 1 1 12  16 16 o 433.1780 18.33855 44.32827       3.736807  41.42031       5.060572  47.81504       5.541383  417.0343 25.92469 448.0818 26.40679 -31.04745      37.00552 
1 1 1 12  16 17 o 165.1371 48.34786 6.774568       3.995905  18.37991       8.928351  3.867735       4.468404  265.0663 70.41296 139.5197 51.51897 125.5466       87.24786 
1 1 1 12  16 18 o 152.2018 42.01609 5.788966       3.106910  8.571080       4.265144  2.643771       4.534924  183.8929 48.57986 129.8613 50.92970 54.03165       70.38350 
1 1 1 12  16 19 o 318.2799 23.73440 24.22022       3.527953  21.13717       4.841258  27.71143       5.151764  294.1064 35.72690 338.1922 32.79564 -44.08585      48.49707 
1 1 1 12  16 20 o 334.4752 23.08208 26.75059       3.609459  20.33204       4.793416  35.15597       5.485363  287.7352 36.21704 381.3823 30.83956 -93.64713      47.56840 
1 1 1 12  16 21 o 284.9634 26.55184 19.59983       3.518229  24.27403       4.855487  14.43304       5.104934  315.2615 33.24218 237.4006 47.37304 77.86090       57.87268 
1 1 1 12  16 22 o 434.4161 22.41265 45.12791       4.564425  36.62307       6.627108  52.80359       6.295773  385.6894 36.98063 467.5868 28.76265 -81.89740      46.84930 
1 1 1 12  16 23 o 329.0769 24.67768 26.07959       3.792249  22.48083       5.094624  30.55118       5.678931  301.0920 36.73171 352.4897 34.69905 -51.39771      50.52962 
1 1 1 12  16 24 o 214.2439 45.31603 11.89722       4.424336  7.669441       8.584500  13.42640       5.162839  183.0675 70.54635 225.9965 49.89838 -42.92903      86.40970 
1 1 1 12  16 25 o 124.2815 45.38277 3.374344       3.453000  -0.2755393     4.722194  7.568514       5.062060  109.8548 48.05780 170.2278 55.26072 -60.37308      73.23455 
1 1 1 12  16 26 o 74.61553 35.12786 -3.095146      3.177756  -5.866124      4.196848  0.6281015      4.864831  78.60613 37.91041 115.8408 49.72692 -37.23465      62.52972 
1 1 1 12  16 27 o 134.7441 49.08762 4.254313       4.036375  3.450982       4.673918  6.611178       8.005736  132.0336 51.72558 169.2570 67.25655 -37.22342      84.84679 
1 1 1 12  16 28 o 144.1566 45.83191 5.485476       3.495646  14.58383       5.906208  0.5799440      4.336809  226.7818 55.75588 108.5298 46.77413 118.2520       72.77731 
1 1 1 12  16 29 o 300.8279 27.27116 22.43665       3.817197  23.25208       6.300366  21.96372       4.798100  292.1386 47.47681 292.4967 35.60685 -0.3580933     59.34556 
1 1 1 12  16 30 o 159.4803 55.73064 7.363258       5.148598  0.000000       0.000000  7.363258       5.148598  ?        ?        159.4803 55.73064 0.000000       55.73064 
1 1 1 12  18 0  o 499.9102 12.32281 58.82600       2.897817  64.02340       4.732887  55.70918       3.665122  521.2253 19.30329 486.3529 16.02019 34.87241       25.08513 
1 1 1 12  18 1  f 706.6860 12.29455 117.5536       4.087038  134.8658       7.209323  109.3547       4.961323  756.4230 20.26098 681.4387 15.47752 74.98431       25.49629 
1 1 1 12  18 2  o 771.9106 13.81801 140.2847       5.017436  155.3805       10.78886  136.1189       5.667622  811.0819 28.27752 760.2423 15.84819 50.83960       32.41579 
1 1 1 12  18 3  o 1760.245 17.92631 730.0172       14.84340  786.5637       33.95171  716.6551       16.50424  1821.068 39.63384 1743.671 20.12156 77.39673       44.44906 
1 1 1 12  18 4  o 466.6737 11.26299 51.25887       2.472501  43.57907       7.192718  52.28794       2.632950  427.4239 36.11178 471.3166 11.87574 -43.89267      38.01439 
1 1 1 12  18 5  o 681.1633 11.56151 109.2129       3.704546  116.8847       10.20937  108.0496       3.975497  703.0367 30.87108 677.4833 12.47451 25.55341       33.29620 
1 1 1 12  18 6  o 809.9058 21.07568 154.6907       8.029443  150.5945       11.56579  158.5018       11.15599  797.9051 30.81448 818.8555 28.96219 -20.95038      42.28878 
1 1 1 12  18 7  o 702.9796 18.62593 116.4893       6.159279  0.000000       0.000000  116.4893       6.159279  ?        ?        702.9796 18.62593 0.000000       18.62593 
1 1 1 12  18 8  o 420.8881 16.94843 41.74730       3.355562  40.87396       7.965602  41.93572       3.699866  412.4051 41.63038 421.7494 18.64929 -9.344299      45.61671 
1 1 1 12  18 9  o 723.2273 16.81789 123.2851       5.721575  142.4792       12.30474  117.9902       6.462747  775.0078 33.75182 707.2758 19.42491 67.73199       38.94243 
1 1 1 12  18 10 o 306.9180 17.71601 22.28689       2.546873  22.37257       3.193831  22.13725       4.220837  306.9879 22.26823 304.2343 29.87864 2.753693       37.26402 
1 1 1 12  18 11 o 494.9915 27.48253 58.20452       6.374006  0.000000       0.000000  58.20452       6.374006  ?        ?        494.9915 27.48253 0.000000       27.48253 
1 1 1 12  18 12 o 1226.745 15.58020 354.8386       8.990760  362.8523       12.68307  346.7440       12.74688  1239.053 21.76030 1211.070 22.37512 27.98340       31.21148 
1 1 1 12  18 13 o 371.1955 19.89079 32.64750       3.460522  32.40730       3.841972  33.68015       7.966022  369.4882 22.20780 371.0887 46.66673 -1.600494      51.68143 
1 1 1 12  18 14 o 703.5776 14.41687 116.7423       4.771472  109.5902       6.253330  126.7092       7.382018  680.9252 19.52283 731.8096 21.44409 -50.88440      28.99982 
1 1 1 12  18 15 o 873.7358 14.85073 180.1315       6.103757  172.8138       8.171222  189.3691       9.180735  854.6126 20.32584 894.2035 21.82588 -39.59088      29.82463 
1 1 1 12  18 16 o 486.8383 16.82357 56.00347       3.852763  59.64732       5.223432  51.65569       5.705715  501.5818 22.13833 465.3275 26.17275 36.25433       34.28000 
1 1 1 12  18 17 o 345.0518 20.71392 28.32363       3.346577  25.65764       4.407215  31.95424       5.143094  326.5382 28.99361 364.3307 30.28399 -37.79251      41.92552 
1 1 1 12  18 18 o 352.4132 20.90412 29.57607       3.449918  27.00672       4.674691  32.64923       5.112491  334.4729 30.03139 368.0697 29.78322 -33.59680      42.29568 
1 1 1 12  18 19 o 387.7962 20.00014 35.78991       3.636005  33.25745       4.813853  39.15387       5.548147  371.7679 27.72596 402.9710 29.47326 -31.20313      40.46482 
1 1 1 12  18 20 o 368.5020 21.36502 32.41304       3.687607  24.35618       4.837187  43.59278       5.698044  315.8796 33.04285 425.2043 28.65487 -109.3247      43.73707 
1 1 1 12  18 21 o 274.8439 36.56379 18.69956       4.609924  24.40250       5.526060  5.648038       8.359813  313.8635 38.21776 173.2034 68.75836 140.6600       78.66581 
1 1 1 12  18 22 o 237.3371 30.69240 13.82114       3.346346  16.45704       4.615159  10.89916       4.859160  256.0960 39.58698 203.8427 50.84514 52.25337       64.43878 
1 1 1 12  18 23 o 419.7582 20.92057 42.02465       4.130875  35.70934       5.481026  50.32866       6.285042  382.7749 30.69861 455.3828 29.49873 -72.60797      42.57440 
1 1 1 12  18 24 o 237.0345 32.13457 13.91890       3.490684  14.57692       4.717709  13.12282       5.189026  237.8896 43.77153 222.4185 50.72055 15.47101       66.99643 
1 1 1 12  18 25 o 145.1533 43.35766 5.435807       3.187391  8.393917       4.452056  2.325182       4.565383  177.2055 50.79061 124.1197 50.28056 53.08579       71.46902 
1 1 1 12  18 26 o 94.87617 39.83461 0.6828511      3.006007  5.463568       4.264165  -4.039878      4.238225  147.1147 50.75741 85.42119 40.32169 61.69354       64.82402 
1 1 1 12  18 27 o 115.1925 43.72109 2.765766       3.265110  7.116529       5.175383  -0.1109548     4.208320  162.6019 55.92867 103.2609 45.26537 59.34097       71.95116 
1 1 1 12  18 28 o 94.62458 42.79186 -1.255675      4.074906  -1.567182      5.219213  -0.7693223     6.521497  105.5468 48.00643 120.5727 54.36614 -15.02584      72.52789 
1 1 1 12  18 29 o 141.0882 45.59651 5.424533       3.449062  6.376338       4.959886  4.533294       4.799489  151.7828 54.53944 136.6038 52.71885 15.17900       75.85399 
1 1 1 12  20 0  o 119.1753 38.14463 3.299356       2.418249  -2.557967      5.266248  4.864470       2.722229  108.6460 48.93390 141.0348 39.47407 -32.38882      62.87073 
1 1 1 12  20 1  o 244.8984 19.07686 14.22862       2.180330  18.24854       4.246969  12.78993       2.540708  275.4502 33.46414 231.5296 23.66052 43.92059       40.98376 
1 1 1 12  20 2  o 403.5935 17.03738 38.39314       3.234568  49.31630       7.120368  35.55292       3.630821  454.8254 33.51654 387.7133 19.97576 67.11212       39.01781 
1 1 1 12  20 3  o 195.8157 18.20164 9.118504       1.657403  7.431630       5.981719  9.258778       1.724939  179.9594 60.14724 197.2534 18.81828 -17.29396      63.02237 
1 1 1 12  20 4  o 236.0863 15.86682 13.19402       1.751863  13.59691       6.311087  13.16039       1.823526  232.9324 57.85813 235.7180 16.55051 -2.785614      60.17876 
1 1 1 12  20 5  o 641.7463 15.04313 97.04263       4.541203  105.7967       9.985524  94.75997       5.099012  667.9510 31.78022 633.9843 17.09772 33.96674       36.08759 
1 1 1 12  20 6  o 384.4639 18.07124 34.86266       3.268232  30.70749       7.421500  35.86233       3.640208  355.4831 45.41995 389.3138 19.94425 -33.83063      49.60590 
1 1 1 12  20 7  o 90.75204 37.69620 0.4790570      2.649834  1.759513       6.526783  0.2263430      2.899556  144.2974 59.48109 92.44654 38.98469 51.85090       71.11826 
1 1 1 12  20 8  f 446.5074 17.92473 47.03825       3.764875  44.11415       8.235114  47.81091       4.233158  427.6184 41.46052 449.9883 19.99834 -22.36984      46.03160 
1 1 1 12  20 9  o 1200.174 17.98929 339.9381       10.15611  344.2331       19.63125  338.3684       11.86770  1202.204 34.71366 1196.644 21.08301 5.560425       40.61443 
1 1 1 12  20 10 o 635.4976 15.63936 95.25151       4.675220  113.4958       11.29839  91.48219       5.135518  689.0361 34.97288 622.5748 17.53571 66.46136       39.12292 
1 1 1 12  20 11 o 216.5110 21.24517 11.19176       2.135889  11.12694       2.764472  11.28777       3.364305  214.6983 28.04239 214.9331 34.43816 -0.2347717     44.41129 
1 1 1 12  20 12 o 511.0597 13.71832 61.58670       3.297934  65.43803       4.454713  56.91588       4.905819  526.3159 17.99302 490.4251 21.26520 35.89081       27.85601 
1 1 1 12  20 13 o 456.9321 14.62960 49.26304       3.144513  48.76986       4.161119  49.91964       4.801294  454.0830 19.48074 459.0150 22.23628 -4.931915      29.56267 
1 1 1 12  20 14 o 1014.344 16.09206 243.0233       7.678319  242.7467       11.75400  243.2292       10.14120  1010.868 24.71848 1013.173 21.27828 -2.304932      32.61546 
1 1 1 12  20 15 o 125.4461 41.32281 3.675376       2.826740  3.661778       3.099610  3.742569       6.890036  127.0246 43.29268 156.3422 62.30918 -29.31757      75.87286 
1 1 1 12  20 16 o 201.3496 28.23031 9.865488       2.600349  7.101893       3.255775  14.73408       4.321344  167.6965 41.49792 243.8695 38.98260 -76.17297      56.93611 
1 1 1 12  20 17 o 495.6197 17.32887 58.15189       4.040063  53.93481       4.906342  67.03330       7.120213  476.3900 21.89404 528.3859 28.75480 -51.99591      36.14121 
1 1 1 12  20 18 o 145.9611 38.24565 5.370429       2.657587  -1.174209      3.362582  16.26137       4.337733  88.66711 39.58085 256.4644 37.02805 -167.7973      54.20074 
1 1 1 12  20 19 o 108.0422 44.79234 0.9987735      3.731133  -9.384662      7.447726  4.477977       4.311150  107.0305 51.33623 141.9566 50.86470 -34.92615      72.26775 
1 1 1 12  20 20 o 443.6100 19.44560 46.75434       4.057813  45.80856       5.694469  47.73002       5.783801  435.9532 27.91458 445.0945 27.76277 -9.141205      39.36998 
1 1 1 12  20 21 o 172.9847 36.97200 7.571033       2.917253  2.758042       3.739802  15.05133       4.662304  121.8547 46.66124 243.7896 42.18212 -121.9349      62.90153 
1 1 1 12  20 22 o 127.2262 45.53518 3.609853       3.454123  3.420636       3.858763  4.372771       7.748314  128.3289 47.77832 161.1569 65.42685 -32.82793      81.01507 
1 1 1 12  20 23 o 278.0851 28.37079 18.88082       3.659256  14.91072       4.474061  26.90250       6.359663  242.0495 40.74125 325.7591 42.51580 -83.70952      58.88499 
1 1 1 12  20 24 f 298.5094 23.82590 21.55622       3.317747  20.26485       4.603038  22.95248       4.786332  284.8341 35.09689 303.8397 34.07509 -19.00565      48.91731 
1 1 1 12  20 25 o 201.6308 33.81125 10.28159       3.093384  9.810854       4.482454  10.70963       4.274372  190.4629 49.55634 200.4841 46.26374 -10.02118      67.79501 
1 1 1 12  20 26 o 121.5562 42.49377 3.557121       2.993441  2.611475       4.805663  4.156655       3.826450  126.1728 51.41030 132.0208 47.84003 -5.848022      70.22598 
1 1 1 12  20 27 o 234.8574 29.27345 13.80907       3.163848  15.81748       5.135895  12.58077       4.016435  241.1083 46.97165 218.1744 40.63027 22.93390       62.10599 
1 1 1 12  20 28 o 195.2524 35.65431 9.980142       3.154076  10.84721       4.970991  9.395844       4.080697  193.0195 53.08973 182.9694 47.12494 10.05011       70.98788 
1 1 1 12  22 0  o 392.3744 14.42463 36.28982       2.662408  37.13676       4.023827  35.63030       3.550808  395.7993 21.69467 387.9586 19.51922 7.840759       29.18319 
1 1 1 12  22 1  o 747.5610 14.61774 131.7347       5.140392  140.1517       7.096554  122.4435       7.455981  770.3925 19.58241 719.7002 22.02338 50.69226       29.47032 
1 1 1 12  22 2  o 259.5972 21.14265 16.02894       2.559408  21.09691       6.026700  14.91381       2.826999  293.1865 45.14727 249.8685 24.36152 43.31793       51.30068 
1 1 1 12  22 3  o 1123.229 13.65946 297.3315       7.217243  339.1796       18.77702  290.0772       7.817800  1193.760 33.43798 1109.218 14.98298 84.54199       36.64135 
1 1 1 12  22 4  f 924.6632 14.25597 201.5441       6.200828  204.6076       14.71784  200.8829       6.837275  926.9446 33.75368 922.9199 15.74888 4.024780       37.24699 
1 1 1 12  22 5  o 810.6271 15.21254 154.9588       5.800856  165.4281       12.01610  151.7775       6.623839  834.2487 30.61955 801.9151 17.55950 32.33356       35.29721 
1 1 1 12  22 6  o 366.2683 20.63897 31.81021       3.541467  0.000000       0.000000  31.81021       3.541467  ?        ?        366.2683 20.63897 0.000000       20.63897 
1 1 1 12  22 7  o 626.4330 11.48103 92.44752       3.383178  86.89062       9.871357  93.18711       3.601289  602.2979 34.99228 628.8702 12.17384 -26.57233      37.04945 
1 1 1 12  22 8  o 553.5254 11.38282 72.18504       2.963854  76.33770       9.472887  71.73441       3.120525  563.9039 35.89825 551.7411 12.02328 12.16278       37.85821 
1 1 1 12  22 9  o 748.2850 13.36285 132.0219       4.703653  139.2687       12.25563  130.7701       5.093741  763.3647 34.12984 744.5593 14.54348 18.80542       37.09931 
1 1 1 12  22 10 o 84.97084 36.62461 -0.1979657     2.659496  -2.870987      7.061016  0.2439192      2.870916  126.0472 56.72694 91.75129 38.74697 34.29590       68.69697 
1 1 1 12  22 11 o 246.6253 27.13515 14.64126       3.095959  15.61831       8.023914  14.47035       3.355817  244.8723 67.49051 244.5942 29.78113 0.2781067      73.76913 
1 1 1 12  22 12 o 360.3861 21.29616 30.88944       3.594229  27.49703       8.205809  31.69480       3.998164  329.8163 54.81489 364.6502 23.43260 -34.83392      59.61341 
1 1 1 12  22 13 o 452.6351 14.96869 48.38634       3.187141  53.68609       4.548394  43.27389       4.467298  475.9577 20.31517 426.4124 22.34908 49.54526       30.20244 
1 1 1 12  22 14 o 620.7598 13.54976 90.96118       3.956621  90.91262       5.331561  91.02070       5.902983  619.6758 18.29029 619.5850 20.25356 0.9088135E-01  27.28995 
1 1 1 12  22 16 o 639.6283 18.95452 96.99484       5.703084  96.99484       5.703084  0.000000       0.000000  639.6283 18.95452 ?        ?        0.000000       18.95452 
1 1 1 12  22 17 o 206.3380 25.84634 10.32099       2.453652  7.862411       3.065411  14.70493       4.093348  176.7061 38.00664 243.7276 36.85362 -67.02144      52.94048 
1 1 1 12  22 18 o 279.6663 21.21922 18.70542       2.770700  17.77084       3.557062  20.14728       4.418194  270.7886 28.34493 286.9583 33.35295 -16.16971      43.77047 
1 1 1 12  22 19 o 388.9761 18.28607 35.90605       3.345896  33.22049       4.414870  39.53006       5.128551  371.7958 25.39508 405.1452 27.06580 -33.34940      37.11426 
1 1 1 12  22 20 o 425.0219 23.32998 43.28683       4.646548  27.53568       8.889183  49.20866       5.450466  321.2188 61.06099 452.3615 25.72032 -131.1427      66.25692 
1 1 1 12  22 21 o 301.0439 21.96807 21.75598       3.089459  20.77917       4.068887  23.08579       4.747505  291.5997 30.09606 306.1899 33.50828 -14.59018      45.03973 
1 1 1 12  22 22 o 79.41344 35.57831 -1.003731      2.743222  -0.4084193     3.493749  -1.960761      4.429782  94.32307 41.29813 97.78418 44.37970 -3.461105      60.62255 
1 1 1 12  22 23 o 102.1713 41.63103 1.305126       3.151316  -0.7673424     3.522492  9.613556       7.052863  92.11432 40.85113 188.5093 65.26415 -96.39496      76.99496 
1 1 1 12  22 24 o 125.8337 39.19093 4.010144       2.568729  7.397926       3.657210  0.7115682      3.608738  166.7440 45.40277 102.4163 43.35656 64.32775       62.77900 
1 1 1 12  22 25 o 116.7646 39.91696 3.310568       2.635153  1.807372       4.170146  4.309817       3.400012  115.2280 47.52718 131.5236 45.32653 -16.29559      65.67593 
1 1 1 12  22 26 o 147.9268 40.46016 5.840880       2.896656  -2.344233      4.548492  11.42530       3.757026  95.05918 43.82313 208.1120 39.82848 -113.0529      59.21803 
1 1 1 12  24 0  o 286.5629 20.28406 19.52144       2.716620  18.88062       3.532612  20.44887       4.249801  280.6201 27.09846 291.2032 31.52781 -10.58313      41.57318 
1 1 1 12  24 1  o 864.4095 13.08840 176.1645       5.322006  186.9118       8.347239  168.8033       6.908226  888.9784 19.96100 845.3873 17.37167 43.59106       26.46160 
1 1 1 12  24 2  o 264.4195 21.28365 16.65435       2.624915  23.09751       5.919067  15.07702       2.928644  306.9349 42.10519 250.8479 25.15817 56.08707       49.04876 
1 1 1 12  24 3  o 303.3761 15.39109 21.77553       2.189249  23.23127       6.217083  21.56947       2.339068  307.1344 44.31379 301.7959 16.53931 5.338470       47.29969 
1 1 1 12  24 4  o 184.3033 28.62975 8.268076       2.401559  4.420333       5.998289  9.002613       2.620783  155.2528 59.17908 192.2031 29.96390 -36.95032      66.33249 
1 1 1 12  24 5  o 276.2784 22.93003 18.21459       2.953099  0.000000       0.000000  18.21459       2.953099  ?        ?        276.2784 22.93003 0.000000       22.93003 
1 1 1 12  24 6  o 489.6319 11.91638 56.50989       2.744628  66.14150       8.583860  55.41306       2.896692  524.2822 35.00678 484.7850 12.70234 39.49716       37.24009 
1 1 1 12  24 7  o 204.6058 16.70636 9.955114       1.593905  2.608205       6.192412  10.47641       1.649483  144.5996 58.56507 209.9095 16.84693 -65.30994      60.94003 
1 1 1 12  24 8  o 187.3574 17.21494 8.365758       1.500239  9.301428       6.728235  8.316804       1.538985  194.4724 63.73768 186.7290 17.73358 7.743393       66.15869 
1 1 1 12  24 9  o 758.7640 12.01399 135.7490       4.288083  146.7301       12.79923  134.3606       4.551096  781.6863 34.80824 754.7437 12.81880 26.94257       37.09360 
1 1 1 12  24 10 o 219.1968 14.46285 11.39235       1.482893  16.36742       7.361831  11.18195       1.513924  250.3820 62.65599 217.0986 14.91490 33.28333       64.40673 
1 1 1 12  24 11 o 279.5040 15.17700 18.50813       1.987980  28.30559       8.164018  17.89058       2.049676  334.4123 53.71667 274.6858 15.93122 59.72653       56.02931 
1 1 1 12  24 12 o 355.3593 18.21601 29.97195       3.034786  0.000000       0.000000  29.97195       3.034786  ?        ?        355.3593 18.21601 0.000000       18.21601 
1 1 1 12  24 13 o 378.5413 22.87930 34.18315       4.054897  32.34245       8.720925  34.69085       4.580093  357.2816 53.53885 380.6507 25.72978 -23.36902      59.40059 
1 1 1 12  24 14 o 465.7645 19.55608 51.44030       4.284672  53.41855       9.991753  50.99455       4.742884  464.0385 46.39576 463.2951 21.76283 0.7433777      51.24635 
1 1 1 12  24 15 o 615.3340 14.47306 89.47465       4.189291  91.14150       5.263369  86.59335       6.920056  620.2356 18.04005 602.7485 24.40642 17.48706       30.34991 
1 1 1 12  24 16 o 381.1198 15.91588 34.37019       2.853393  35.52492       3.793109  32.86493       4.330739  386.0660 20.96505 370.2433 25.01267 15.82275       32.63689 
1 1 1 12  24 17 o 250.5975 25.07939 15.15014       2.916708  14.67627       3.200038  17.47622       7.089919  245.8029 28.18511 256.5570 59.84459 -10.75412      66.14964 
1 1 1 12  24 18 o 225.4124 24.05511 12.27301       2.511275  11.63016       3.231272  13.25355       3.990707  216.9851 32.67041 230.0693 38.21491 -13.08421      50.27658 
1 1 1 12  24 19 o 70.00970 31.76211 -1.209154      2.266237  -5.437002      2.983222  4.559911       3.484807  62.59784 30.59455 137.4212 45.90850 -74.82339      55.16898 
1 1 1 12  24 20 o 381.9678 17.19727 34.65502       3.089980  34.48246       4.327727  34.83447       4.413312  378.3919 24.44425 380.1908 24.81314 -1.798828      34.83121 
1 1 1 12  24 21 o 157.6750 44.10849 6.466354       3.399879  1.683115       6.896007  8.002378       3.907830  139.7987 59.58560 174.3884 46.70316 -34.58971      75.70752 
1 1 1 12  24 22 o 284.5140 20.27345 19.45807       2.695571  19.96203       3.834694  18.96581       3.789927  285.0535 29.00190 277.5909 29.47488 7.462677       41.35068 
1 1 1 12  24 23 o 92.58408 36.33379 1.413116       2.309484  2.174118       3.339514  0.7155362      3.197331  110.9723 43.64616 97.41114 41.00035 13.56111       59.88335 
1 1 1 12  24 24 o 119.6937 52.75850 0.1078478      5.788087  0.000000       0.000000  0.1078478      5.788087  ?        ?        119.6937 52.75850 0.000000       52.75850 
1 1 1 12  26 0  o 203.0837 28.04226 10.01004       2.607437  9.474095       3.396806  10.77884       4.068324  195.0412 38.39016 207.1698 43.14794 -12.12854      57.75421 
1 1 1 12  26 1  o 484.9479 14.27840 55.50792       3.257196  59.06286       5.283839  53.32904       4.136658  498.9377 22.51303 474.7667 18.52252 24.17102       29.15339 
1 1 1 12  26 2  o 175.2695 31.45973 7.560999       2.498450  13.61475       5.554349  6.025395       2.797440  230.9560 52.33574 155.0930 38.51876 75.86298       64.98249 
1 1 1 12  26 3  f 174.5748 24.45164 7.378554       1.952887  7.000595       6.081856  7.422003       2.062085  173.9829 60.58419 174.8118 25.85660 -0.8288116     65.87115 
1 1 1 12  26 4  o 284.9224 21.34697 19.35099       2.840299  0.000000       0.000000  19.35099       2.840299  ?        ?        284.9224 21.34697 0.000000       21.34697 
1 1 1 12  26 5  o 164.2528 24.11323 6.542617       1.807639  1.740488       6.571794  6.935675       1.880163  142.4179 59.27822 169.1648 24.32725 -26.74695      64.07592 
1 1 1 12  26 6  o 444.3523 12.75662 46.57557       2.666444  46.13556       8.381699  46.62512       2.812562  434.4407 41.51958 444.5164 13.45070 -10.07568      43.64397 
1 1 1 12  26 7  o 235.5703 17.05287 13.18868       1.876896  32.49109       8.012847  12.06814       1.930606  361.2863 48.36167 225.0879 18.39434 136.1984       51.74170 
1 1 1 12  26 8  o 506.0074 11.79140 60.37704       2.806672  62.75268       8.868496  60.11262       2.958751  508.7402 37.31860 504.8225 12.45949 3.917694       39.34357 
1 1 1 12  26 9  o 225.1350 15.05258 12.02556       1.584941  8.017242       6.763492  12.25846       1.630337  183.9528 63.89852 227.2774 15.33913 -43.32463      65.71384 
1 1 1 12  26 10 o 428.7191 11.60982 43.34427       2.341357  35.93936       8.318798  43.98132       2.439994  380.0014 47.58091 431.8180 12.01209 -51.81656      49.07376 
1 1 1 12  26 11 o 280.6791 12.08535 18.58435       1.595654  16.06718       7.397992  18.70716       1.634117  246.9035 63.37593 281.5875 12.33674 -34.68394      64.56550 
1 1 1 12  26 12 o 467.6342 17.62569 51.77369       3.877232  47.02735       9.327646  52.76507       4.262967  435.2537 46.26692 471.8000 19.20811 -36.54636      50.09570 
1 1 1 12  26 13 o 177.1348 20.51257 7.545873       1.677574  -11.15042      6.518085  8.872178       1.736057  93.33836 45.53263 192.4537 19.44308 -99.11535      49.51014 
1 1 1 12  26 14 o 237.6386 21.57818 13.53540       2.385836  5.624257       6.752030  14.66409       2.550357  165.5312 62.86140 247.3022 22.15815 -81.77101      66.65238 
1 1 1 12  26 15 o 372.9469 20.79646 33.17159       3.633905  35.19620       8.448747  32.71202       4.025259  372.8703 49.38380 369.7085 23.26406 3.161865       54.58916 
1 1 1 12  26 16 o 473.6075 20.98703 53.39053       4.675616  0.000000       0.000000  53.39053       4.675616  ?        ?        473.6075 20.98703 0.000000       20.98703 
1 1 1 12  26 18 o 290.3480 53.28118 22.14923       7.008985  0.000000       0.000000  22.14923       7.008985  ?        ?        290.3480 53.28118 0.000000       53.28118 
1 1 1 12  26 19 o 191.6284 48.44386 9.698341       4.369196  13.53448       6.541281  6.608205       5.870893  221.6285 60.87648 164.6992 59.32065 56.92929       84.99932 
1 1 1 12  26 20 o 98.94461 43.94667 -0.8609467     4.091534  0.5606421      5.956284  -2.131094      5.630092  125.9312 54.54340 110.1335 50.00288 15.79777       73.99507 
1 1 1 12  26 21 o 157.1825 59.47621 5.811534       6.030602  0.000000       0.000000  5.811534       6.030602  ?        ?        157.1825 59.47621 0.000000       59.47621 
1 1 1 12  28 0  o 401.9512 17.38770 38.21707       3.287643  41.88467       6.979259  37.17116       3.727057  415.4767 36.06816 395.5384 20.09730 19.93826       41.28939 
1 1 1 12  28 1  o 402.2154 15.79118 38.22829       2.987739  43.55777       5.226509  35.64131       3.641377  426.8376 26.15648 387.3082 20.05536 39.52942       32.96027 
1 1 1 12  28 2  o 237.1326 24.37806 13.50893       2.680595  8.977408       6.140971  14.57562       2.979434  189.6017 60.79620 246.0365 26.14390 -56.43484      66.17916 
1 1 1 12  28 3  o 491.8393 12.86427 57.07354       2.976308  61.92034       8.255318  56.34941       3.190906  506.2174 34.88076 488.5843 13.88370 17.63309       37.54231 
1 1 1 12  28 4  o 279.4035 21.68676 18.63322       2.828002  0.000000       0.000000  18.63322       2.828002  ?        ?        279.4035 21.68676 0.000000       21.68676 
1 1 1 12  28 5  o 735.1848 12.50126 127.5069       4.323342  121.6409       11.50338  128.4718       4.665372  711.1220 34.38839 737.7886 13.44265 -26.66663      36.92244 
1 1 1 12  28 6  o 254.5829 16.57355 15.38966       1.973971  18.54043       6.639526  15.08416       2.067456  268.9026 54.35870 251.8860 17.55852 17.01665       57.12416 
1 1 1 12  28 7  o 645.1945 12.95534 98.23725       3.931957  99.16766       10.23142  98.07603       4.259018  641.0965 34.04891 644.4752 14.04863 -3.378723      36.83330 
1 1 1 12  28 8  o 438.6665 15.21003 45.47492       3.138585  37.51487       7.525465  47.15104       3.453252  390.5098 41.60759 446.4993 16.44138 -55.98956      44.73824 
1 1 1 12  28 9  o 235.8115 20.72856 13.29737       2.275991  17.70511       6.789367  12.73933       2.415776  261.0863 56.88927 230.4141 22.57848 30.67213       61.20602 
1 1 1 12  28 10 o 67.55822 29.29618 -0.2170126     1.722507  3.650416       6.444221  -0.5145878     1.787548  151.3432 60.27765 66.20588 29.24366 85.13732       66.99691 
1 1 1 12  28 11 o 443.0539 15.17199 46.41672       3.162047  0.000000       0.000000  46.41672       3.162047  ?        ?        443.0539 15.17199 0.000000       15.17199 
1 1 1 12  28 12 o 138.2294 50.63065 4.052328       4.302461  6.361475       5.948979  1.519917       6.229939  166.3099 59.73354 136.5651 57.34278 29.74478       82.80272 
1 1 1 12  28 13 o 161.2547 51.77801 6.494627       4.453084  6.474436       6.206188  6.516053       6.393200  167.9000 60.91343 169.0670 61.74976 -1.166992      86.73799 
1 1 1 12  28 14 o 169.6621 52.17656 7.372939       4.569361  6.504162       6.405845  8.272890       6.519765  168.4646 61.76809 181.9147 62.76234 -13.45009      88.05912 
1 1 1 12  28 15 o 181.1192 49.81461 8.565178       4.376687  5.493461       6.043449  11.95303       6.346828  158.8427 59.66375 210.7267 60.71448 -51.88394      85.12351 
1 1 1 12  28 16 o 211.3600 45.08887 11.56612       4.346208  5.315102       5.797996  19.58383       6.566408  155.5840 58.43961 272.6362 53.11010 -117.0521      78.96753 
1 1 1 12  28 17 o 272.7125 53.90715 19.79192       6.670331  0.000000       0.000000  19.79192       6.670331  ?        ?        272.7125 53.90715 0.000000       53.90715 
1 1 1 12  28 18 o 245.3003 41.61964 15.43637       4.630824  19.27765       6.898683  12.28597       6.247570  266.1800 56.82548 210.5328 60.10955 55.64720       82.71815 
1 1 1 12  30 0  o 89.67651 36.37062 0.8701738      2.391825  5.817480       5.475254  -0.2965832     2.658949  160.4908 57.34155 83.80234 36.36952 76.68851       67.90284 
1 1 1 12  30 2  o 299.7782 20.58146 21.42898       2.884741  19.53329       6.331499  21.92559       3.240642  276.9531 50.45850 302.7589 22.92437 -25.80579      55.42189 
1 1 1 12  30 3  o 201.4267 22.32186 9.760734       2.079469  0.000000       0.000000  9.760734       2.079469  ?        ?        201.4267 22.32186 0.000000       22.32186 
1 1 1 12  30 4  o 126.0823 30.47637 3.964774       1.787527  -3.388823      5.065358  5.010806       1.910437  100.6512 46.34428 142.0670 29.54988 -41.41575      54.96351 
1 1 1 12  30 5  o 388.4989 25.21657 36.15125       4.583427  30.79667       6.312378  42.12248       6.665955  354.1199 38.51533 416.4041 34.33749 -62.28427      51.59936 
1 1 1 12  30 6  o 274.8195 49.00729 19.21225       6.103116  19.21225       6.103116  0.000000       0.000000  274.8195 49.00729 ?        ?        0.000000       49.00729 
1 1 1 12  30 7  o 220.8029 41.01583 12.26114       4.103329  12.43758       5.955277  12.10167       5.661805  217.6701 57.35630 215.1273 55.56003 2.542801       79.85400 
1 1 1 12  30 8  o 298.0161 33.44922 21.70547       4.608202  22.82996       6.572698  20.61831       6.462659  300.0097 48.20595 283.9480 50.22151 16.06171       69.61331 
1 1 1 12  30 9  o 239.6358 39.69394 14.37324       4.317888  20.46968       6.368208  9.185494       5.874464  282.8190 49.68015 188.6600 59.35003 94.15895       77.39861 
1 1 1 12  30 10 o 422.7399 36.83165 43.84661       7.251082  0.000000       0.000000  43.84661       7.251082  ?        ?        422.7399 36.83165 0.000000       36.83165 
1 1 1 12  30 11 o 128.9608 47.76618 3.443592       3.846977  0.3956600      5.252361  6.970869       5.650302  120.4177 51.68000 168.8607 58.41809 -48.44299      77.99677 
1 1 1 12  30 12 o 332.6500 28.80310 26.85373       4.462608  25.80856       6.281011  27.91915       6.341587  320.2867 42.75663 334.0367 41.23360 -13.75003      59.39983 
1 1 1 12  30 13 o 332.0072 41.61084 27.69917       6.355905  27.69917       6.355905  0.000000       0.000000  332.0072 41.61084 ?        ?        0.000000       41.61084 
1 1 1 12  30 14 f 123.2229 46.05161 3.120009       3.591571  2.014566       4.914101  4.387634       5.262249  126.0344 51.74231 145.3641 55.42470 -19.32970      75.82324 
1 1 1 12  30 15 o 325.7749 31.60032 26.08961       4.781693  17.12842       6.509328  36.59335       7.047339  251.5322 56.40561 381.7746 39.82817 -130.2424      69.04980 
1 1 1 12  32 0  o 368.1367 23.97867 32.49693       4.129778  31.86683       6.319087  32.96671       5.456234  359.4555 37.94491 368.1635 31.81796 -8.708008      49.51968 
1 1 1 12  32 1  o 330.4020 25.48579 26.26707       3.930444  22.50000       5.815273  29.43520       5.332968  299.6555 42.44185 347.3121 33.04036 -47.65656      53.78639 
1 1 1 12  32 2  o 303.3017 27.80199 22.25561       3.922470  17.55054       5.667483  26.58145       5.434284  261.8888 47.76485 328.8978 35.69778 -67.00894      59.63063 
1 1 1 12  32 3  o 228.0284 47.20453 13.37099       4.896615  0.000000       0.000000  13.37099       4.896615  ?        ?        228.0284 47.20453 0.000000       47.20453 
1 1 1 12  32 4  o 265.4195 32.68357 17.28238       3.994457  16.48038       5.846365  17.98454       5.470390  252.0917 51.05176 266.0689 45.33252 -13.97720      68.27386 
1 1 1 12  32 5  o 401.4409 24.00299 38.63966       4.511920  36.14745       6.393771  41.11177       6.367947  383.7675 35.83217 410.6138 33.25387 -26.84631      48.88522 
1 1 1 12  32 6  o 349.7719 26.54408 29.50782       4.334819  26.36148       5.855375  33.32343       6.448121  325.8208 38.97754 367.2977 37.86320 -41.47693      54.34032 
1 1 1 12  32 7  o 346.7864 27.00147 29.05082       4.370002  31.03448       6.158638  27.03924       6.201821  354.2932 37.52439 328.9349 40.96904 25.35831       55.55666 
1 1 1 12  32 8  o 350.8332 27.27836 29.76715       4.466427  24.29251       6.149423  35.87991       6.497939  310.2167 43.32270 381.3433 36.67582 -71.12665      56.76241 
1 1 1 12  32 9  o 149.4773 47.36160 5.622987       3.735331  -1.093044      5.194399  12.81510       5.375357  111.4342 49.50421 220.0199 52.64205 -108.5857      72.26239 
1 1 1 13  1  0  o 1000.314 12.25683 235.5586       5.767445  246.3605       8.508481  226.3763       7.844694  1022.499 17.68968 980.2186 17.01311 42.28015       24.54324 
1 1 1 13  1  1  o 678.7904 12.67840 108.4754       4.048270  112.1582       6.905513  106.5471       4.997005  689.6095 21.28744 672.5501 15.79486 17.05939       26.50722 
1 1 1 13  1  2  o 332.8328 15.24887 26.09302       2.387443  27.93104       3.968924  25.05084       2.988611  343.0659 24.76019 325.3757 19.61782 17.69025       31.58996 
1 1 1 13  1  3  o 759.5706 16.28957 135.9423       5.820323  139.0904       8.349660  132.9667       8.117606  767.6175 23.12355 750.5448 22.99228 17.07269       32.60895 
1 1 1 13  1  4  o 388.3880 15.63532 35.54491       2.856551  34.69674       3.517435  37.18787       4.895532  383.0270 19.58766 395.7094 26.45230 -12.68234      32.91505 
1 1 1 13  1  5  o 119.9743 33.86605 3.509461       1.994846  5.052351       2.829138  1.983902       2.813205  143.5573 40.26350 107.3209 40.61905 36.23643       57.19315 
1 1 1 13  1  6  o 574.1591 12.96472 77.66104       3.501585  76.96250       4.952214  78.35945       4.951764  571.1018 18.43387 576.2784 18.26662 -5.176636      25.95144 
1 1 1 13  1  7  o 570.4443 13.55486 76.67430       3.637287  75.22327       5.098513  78.17817       5.190522  564.5087 19.20010 575.4922 19.17354 -10.98352      27.13427 
1 1 1 13  1  8  o 869.1674 13.71333 177.9804       5.606807  179.7439       7.986491  176.2665       7.873168  872.7252 19.45401 864.2550 19.36593 8.470215       27.44991 
1 1 1 13  1  9  o 761.5707 16.12236 136.6777       5.775749  138.5218       7.146463  133.2045       9.807484  766.3134 19.82510 750.4095 27.78369 15.90393       34.13163 
1 1 1 13  1  10 o 643.5945 14.37362 97.53928       4.351589  89.60040       5.969165  106.5442       6.357312  616.4630 20.58436 672.2663 20.10309 -55.80334      28.77238 
1 1 1 13  1  11 o 226.4007 27.62417 12.27737       2.880948  13.86558       4.094082  10.71953       4.054754  239.1602 37.63494 208.8508 42.71291 30.30945       56.92786 
1 1 1 13  1  12 o 538.1594 16.22939 68.19439       4.108493  71.58162       5.947751  65.10316       5.681935  551.0540 22.94506 525.5243 22.98446 25.52972       32.47709 
1 1 1 13  1  13 o 1095.295 17.80905 282.5378       9.175739  279.0726       15.45826  284.4229       11.40164  1087.205 30.22594 1098.554 22.06361 -11.34863      37.42206 
1 1 1 13  1  14 o 404.1106 22.32527 38.61003       4.227453  40.22290       5.331902  35.87991       6.937032  411.9301 27.67695 387.4385 38.57579 24.49155       47.47741 
1 1 1 13  1  15 o 1617.883 18.82082 616.6875       14.32369  606.3124       20.10007  627.3925       20.41716  1602.858 26.65834 1630.492 26.61996 -27.63379      37.67346 
1 1 1 13  1  16 o 589.4354 17.27875 81.84525       4.790907  80.94168       6.775892  82.74853       6.774839  585.7016 24.59352 592.2237 24.31890 -6.522095      34.58685 
1 1 1 13  1  17 o 822.6873 23.09696 159.6893       8.938384  159.6893       8.938384  0.000000       0.000000  822.6873 23.09696 ?        ?        0.000000       23.09696 
1 1 1 13  1  18 o 1276.764 20.43302 384.4897       12.27192  370.6897       20.68159  391.9891       15.24601  1250.193 35.16717 1288.219 25.15920 -38.02625      43.24020 
1 1 1 13  1  19 o 653.3425 18.10952 100.6582       5.565667  103.3052       7.831197  97.95670       7.911501  661.0768 25.18297 643.6124 26.13155 17.46442       36.29105 
1 1 1 13  1  20 f 479.7181 21.14433 54.35930       4.771438  59.57619       6.955092  49.72104       6.558060  500.3152 29.68495 456.7118 30.70398 43.60342       42.70751 
1 1 1 13  1  21 f 111.6574 48.09697 -0.2412107     4.580748  -3.883077      5.710464  6.331748       7.671669  107.6800 49.44208 179.5542 67.26551 -71.87421      83.48154 
1 1 1 13  1  22 o 453.2769 22.28908 48.68115       4.752531  44.55722       6.604115  53.11079       6.844517  430.6182 32.85049 470.8458 31.07736 -40.22757      45.22120 
1 1 1 13  1  23 o 355.9540 26.00537 30.32399       4.324243  29.28830       6.218622  31.29366       6.017160  346.1413 38.86344 358.8146 36.14140 -12.67337      53.07135 
1 1 1 13  1  24 o 87.98208 41.74640 -5.301288      4.655533  -10.65898      5.775937  4.634364       7.865600  86.21790 42.22993 166.7093 66.53239 -80.49140      78.80309 
1 1 1 13  1  25 o 269.8174 33.59306 17.88415       4.171393  23.00799       6.211693  13.67555       5.629644  301.8800 45.12770 228.4623 53.35079 73.41766       69.87715 
1 1 1 13  1  26 o 163.3338 46.99533 6.899895       3.804951  1.572362       5.406691  12.12741       5.355699  128.0585 53.57353 213.6055 53.43497 -85.54694      75.66650 
1 1 1 13  1  27 o 270.9594 39.70947 18.58539       4.911169  25.51130       8.814141  15.46701       5.914336  303.2797 63.80420 240.0285 53.72145 63.25122       83.40845 
1 1 1 13  1  28 o 395.6387 25.70238 37.97002       4.757522  39.25155       6.872770  36.79096       6.592296  395.7646 37.35888 383.2775 37.02505 12.48715       52.59791 
1 1 1 13  1  29 o 160.3261 48.94279 6.843010       4.029202  8.702688       5.760420  5.061624       5.637860  178.3092 59.00161 149.6429 57.29389 28.66629       82.24220 
1 1 1 13  1  30 o 260.7320 35.01386 17.24065       4.185884  15.49538       5.837705  19.08758       6.005321  235.9552 53.79024 265.3285 49.94806 -29.37332      73.40436 
1 1 1 13  1  31 o 101.4727 44.03671 0.2886979      3.897921  0.4684402      5.569373  0.1161154      5.457321  118.5535 52.01857 115.8271 51.13248 2.726433       72.94150 
1 1 1 13  1  32 o 468.3974 21.91226 53.33257       4.828041  47.01241       6.683206  60.23125       6.982378  429.7345 33.32149 489.6615 30.46461 -59.92694      45.14880 
1 1 1 13  1  33 o 228.1650 46.96757 14.79470       4.872987  11.57253       6.797404  18.20155       6.989498  187.1042 64.10933 238.5663 61.78951 -51.46202      89.03903 
1 1 1 13  1  34 o 93.71297 42.82415 -1.036235      4.215173  -1.739596      5.831926  -0.2668847     6.099374  105.1595 48.87555 112.7906 51.53109 -7.631149      71.02303 
1 1 1 13  1  35 o 134.8528 56.95191 5.160523       6.202944  5.160523       6.202944  0.000000       0.000000  134.8528 56.95191 ?        ?        0.000000       56.95191 
1 1 1 13  3  0  o 973.1522 14.38713 223.0480       6.586038  0.000000       0.000000  223.0480       6.586038  ?        ?        973.1522 14.38713 0.000000       14.38713 
1 1 1 13  3  1  o 1299.612 16.39012 397.9766       10.01994  426.2783       18.30134  385.8616       11.97401  1342.434 28.98148 1279.126 19.90018 63.30798       35.15598 
1 1 1 13  3  2  o 464.4934 13.34443 50.81055       2.915740  52.79430       4.866779  49.69985       3.641644  472.9642 21.87480 459.2136 16.85829 13.75061       27.61718 
1 1 1 13  3  3  o 725.4684 11.70497 123.9183       3.994460  119.8629       5.549993  128.2767       5.753545  713.1226 16.54470 737.7238 16.57954 -24.60120      23.42239 
1 1 1 13  3  4  o 600.7302 13.89935 85.01912       3.927744  85.82650       4.829756  83.44234       6.749507  603.3271 17.01779 594.1431 24.14970 9.184021       29.54341 
1 1 1 13  3  5  o 891.1389 14.70353 187.1605       6.163627  184.0454       7.407060  194.1736       11.11400  883.2698 17.82720 905.7060 26.08637 -22.43616      31.59601 
1 1 1 13  3  6  o 1017.625 13.49909 243.9997       6.461921  252.6719       9.390227  236.1987       8.906056  1034.591 19.29471 1000.366 18.92593 34.22516       27.02733 
1 1 1 13  3  7  o 485.3460 14.05661 55.50654       3.209234  54.70234       4.682672  56.21883       4.406953  481.3002 20.68275 488.0609 19.19531 -6.760712      28.21765 
1 1 1 13  3  8  o 334.4807 20.48012 26.50163       3.206832  27.65032       4.034379  24.53032       5.285072  341.0554 25.32761 319.3511 35.79744 21.70428       43.85139 
1 1 1 13  3  9  f 740.5282 13.64344 129.1365       4.752638  130.3528       6.742082  127.9352       6.700602  743.5588 19.27567 736.6255 19.33738 6.933289       27.30358 
1 1 1 13  3  10 o 589.7734 17.37376 81.93784       4.820014  73.66232       8.554201  85.78755       5.834393  557.1415 32.78407 603.2816 20.55920 -46.14014      38.69724 
1 1 1 13  3  11 o 426.5811 20.98309 42.88347       4.210564  47.14010       5.330422  35.82045       6.866314  446.3227 25.49463 387.1574 38.20020 59.16528       45.92637 
1 1 1 13  3  12 o 1123.490 15.52421 297.1755       8.204422  298.8231       11.79510  295.6312       11.41962  1126.003 22.26859 1120.034 21.67459 5.969238       31.07536 
1 1 1 13  3  13 o 998.5800 15.41831 234.7658       7.242507  235.1288       10.41018  234.4253       10.08258  998.8257 22.15640 997.3904 21.49004 1.435242       30.86629 
1 1 1 13  3  14 o 1868.050 20.17973 822.2448       17.73263  817.6949       24.95092  826.8883       25.20649  1861.205 28.49857 1871.608 28.63046 -10.40259      40.39643 
1 1 1 13  3  15 o 2028.343 24.80936 970.5483       23.67153  955.6613       28.47322  1003.865       42.59517  2011.316 30.09449 2056.290 44.03588 -44.97449      53.33701 
1 1 1 13  3  16 o 1216.028 19.26984 348.4917       11.02278  363.9598       14.08180  324.0190       17.71257  1242.024 24.10232 1170.472 32.17002 71.55237       40.19741 
1 1 1 13  3  17 o 269.6527 29.07481 17.38615       3.629667  16.11511       5.145768  18.64477       5.120573  256.7286 44.20446 277.3637 40.43565 -20.63516      59.90890 
1 1 1 13  3  18 o 1168.127 17.24132 321.6007       9.473923  312.1179       13.34238  331.2437       13.45462  1149.533 24.67417 1184.335 24.15058 -34.80176      34.52629 
1 1 1 13  3  19 o 421.7624 21.93338 42.11581       4.336524  31.88014       6.039759  53.00720       6.230216  364.5771 35.67484 472.3715 28.16626 -107.7943      45.45362 
1 1 1 13  3  20 o 608.8892 21.17515 87.58898       6.065045  89.03092       10.34773  86.83438       7.485661  610.2482 36.20895 605.5345 26.27979 4.713745       44.74054 
1 1 1 13  3  21 o 924.7825 17.67641 201.9296       7.689585  194.2251       10.85615  209.6870       10.89338  905.0806 25.49877 940.6724 24.61812 -35.59174      35.44346 
1 1 1 13  3  22 o 412.6551 27.10138 40.67144       5.231507  49.05814       6.569338  26.13258       8.649507  452.3409 31.06177 320.2839 59.60340 132.0570       67.21160 
1 1 1 13  3  23 o 579.1628 22.40768 79.63890       6.104736  76.91164       7.473645  85.10703       10.58249  567.6735 27.98753 592.3367 38.18297 -24.66327      47.34175 
1 1 1 13  3  24 o 552.9877 19.97054 72.57722       5.194870  78.70885       7.414784  66.66588       7.280371  573.5693 27.48168 526.4111 29.51989 47.15814       40.33196 
1 1 1 13  3  25 f 283.3338 37.44691 19.90150       4.868662  12.85672       9.246489  22.60386       5.726831  219.3589 74.77373 300.5277 41.62768 -81.16882      85.58022 
1 1 1 13  3  26 o 124.2688 49.07029 2.576228       4.236805  11.83710       7.380790  -1.975036      5.174197  208.3865 66.63371 106.8831 48.28809 101.5034       82.29089 
1 1 1 13  3  27 o 95.62549 42.43565 -0.8492615     3.807004  -5.079329      5.490617  3.067256       5.283206  97.50217 45.98474 135.4671 54.36487 -37.96495      71.20488 
1 1 1 13  3  28 o 134.0630 47.99126 4.211178       3.836965  7.231628       5.374489  1.071414       5.479612  166.6099 57.00610 124.0543 53.00085 42.55562       77.83820 
1 1 1 13  3  29 f 144.9673 51.02116 5.224208       4.319153  3.994384       5.384490  7.443520       7.233231  140.6813 55.39249 171.8568 65.11107 -31.17551      85.48555 
1 1 1 13  3  30 o 143.2262 55.47424 4.583925       5.329156  6.881689       7.368315  2.063615       7.716893  166.6502 65.03955 143.1943 62.05190 23.45592       89.89205 
1 1 1 13  3  31 o 209.1796 48.50694 12.11071       4.680255  6.272295       8.193640  14.93818       5.702018  163.1049 66.87001 229.1906 53.80905 -66.08566      85.83130 
1 1 1 13  3  32 o 99.63472 43.43680 0.2927374      3.828208  0.4476814      6.431970  0.2077392      4.763887  123.1658 54.87887 108.4682 47.83434 14.69762       72.79982 
1 1 1 13  3  33 o 133.3447 47.95100 4.802371       3.834639  5.234840       6.362173  4.555629       4.805619  144.1989 58.99917 134.3235 52.49704 9.875351       78.97368 
1 1 1 13  3  34 o 108.3068 49.73051 -0.7654579     5.777542  -0.7654579     5.777542  0.000000       0.000000  108.3068 49.73051 ?        ?        0.000000       49.73051 
1 1 1 13  5  0  o 765.0720 12.99652 137.8722       4.677339  0.000000       0.000000  137.8722       4.677339  ?        ?        765.0720 12.99652 0.000000       12.99652 
1 1 1 13  5  1  o 326.5150 16.19900 25.13296       2.488058  0.000000       0.000000  25.13296       2.488058  ?        ?        326.5150 16.19900 0.000000       16.19900 
1 1 1 13  5  2  o 409.0945 12.36786 39.41736       2.380058  41.20631       3.450933  37.79446       3.286877  417.9819 17.55132 400.3099 17.45492 17.67200       24.75324 
1 1 1 13  5  3  o 395.4529 12.94774 36.83962       2.408562  38.78952       3.470917  35.02861       3.345015  405.4713 18.19762 385.2965 18.45583 20.17477       25.91855 
1 1 1 13  5  4  o 758.7996 13.97246 135.6794       4.987342  132.2265       5.952161  143.8169       9.137391  748.7548 16.89919 779.6206 24.91550 -30.86584      30.10589 
1 1 1 13  5  5  o 247.8854 29.47062 14.77323       3.369107  11.67658       4.964608  17.41677       4.587033  216.0791 49.85722 267.8391 37.42999 -51.75999      62.34378 
1 1 1 13  5  6  o 878.4180 15.16361 181.8556       6.265749  187.6742       7.771288  171.0464       10.59211  891.9135 18.52256 850.1392 26.48640 41.77423       32.32050 
1 1 1 13  5  7  o 547.9238 15.25703 70.73988       3.932415  73.29169       5.017508  66.67658       6.331468  557.4307 19.13497 531.1121 25.34246 26.31860       31.75512 
1 1 1 13  5  8  o 990.3445 13.84765 230.9619       6.451070  222.9209       8.956040  239.6325       9.300064  972.3616 19.58028 1008.146 19.61070 -35.78473      27.71221 
1 1 1 13  5  9  o 526.8278 14.44802 65.34939       3.580523  69.90186       5.160694  61.12403       4.971833  544.5942 20.14493 509.2216 20.75584 35.37259       28.92444 
1 1 1 13  5  10 o 936.6222 14.28023 206.5204       6.291715  204.1117       8.837394  208.9961       8.959519  930.7224 20.18528 941.7892 20.22375 -11.06689      28.57351 
1 1 1 13  5  11 o 2002.276 24.09494 945.2052       22.69442  984.8395       41.71252  928.5400       27.04803  2038.328 43.50338 1983.486 28.98927 54.84253       52.27736 
1 1 1 13  5  12 o 265.4408 27.20808 16.79472       3.349307  17.70511       5.419127  16.23201       4.260465  269.8592 44.22187 259.6137 35.84262 10.24548       56.92335 
1 1 1 13  5  13 o 571.3176 16.18320 76.85596       4.349218  85.09719       6.246006  69.09912       6.059673  600.8801 22.09761 541.3706 23.79497 59.50946       32.47314 
1 1 1 13  5  14 o 1580.177 18.31264 588.1937       13.61213  597.7133       19.60430  579.3318       18.91511  1591.632 26.18420 1567.065 25.65975 24.56714       36.66108 
1 1 1 13  5  15 o 838.3141 15.88004 165.5027       6.262212  160.0882       8.547104  171.7776       9.201241  824.0014 22.05067 853.4711 22.91861 -29.46973      31.80400 
1 1 1 13  5  16 o 342.5533 24.05803 27.82389       3.852076  24.13797       5.372204  31.72443       5.526383  317.0879 36.69466 364.7548 32.55054 -47.66687      49.05135 
1 1 1 13  5  17 o 536.7746 18.53234 67.91589       4.679414  74.63238       6.876865  62.12445       6.385772  562.0969 26.00818 512.1052 26.60008 49.99164       37.20201 
1 1 1 13  5  18 f 562.2209 18.43675 74.53138       4.875967  73.57959       6.848638  75.50976       6.943659  557.9211 26.09529 565.1892 26.11712 -7.268066      36.91975 
1 1 1 13  5  19 o 375.1837 33.44545 33.68927       5.840799  0.000000       0.000000  33.68927       5.840799  ?        ?        375.1837 33.44545 0.000000       33.44545 
1 1 1 13  5  20 o 418.0257 22.06063 41.42884       4.322646  36.41747       6.054209  46.64022       6.173835  389.7923 33.33906 442.2136 29.85411 -52.42133      44.75222 
1 1 1 13  5  21 o 428.0797 22.79450 43.52041       4.573584  40.02681       6.300889  47.41095       6.649207  408.2747 33.09274 444.8418 31.98927 -36.56702      46.02655 
1 1 1 13  5  22 o 381.0038 28.47084 34.78161       5.065814  31.57670       6.227229  41.05232       8.710537  360.5341 37.25526 408.3819 46.15278 -47.84784      59.31301 
1 1 1 13  5  23 o 313.6390 34.02155 23.92514       4.938934  22.04040       5.935847  28.16588       8.903836  297.7379 43.68060 330.5585 59.44670 -32.82059      73.76927 
1 1 1 13  5  24 o 184.6556 44.88825 8.721707       3.861146  4.504375       5.430388  13.03385       5.491087  149.5855 56.47810 223.8866 52.96661 -74.30106      77.42892 
1 1 1 13  5  25 o 298.0580 29.49693 21.60566       4.081393  16.48814       5.621311  27.31105       5.935411  252.6315 49.07076 331.7630 38.76321 -79.13158      62.53419 
1 1 1 13  5  26 o 191.7338 44.77256 9.556445       3.964912  8.927530       5.815904  10.10255       5.419522  183.9338 59.18483 194.2694 56.14216 -10.33560      81.57688 
1 1 1 13  5  27 o 534.3326 21.19840 68.30339       5.328245  67.65349       7.359020  69.01951       7.724834  526.7044 29.82432 531.2233 31.04825 -4.518860      43.05210 
1 1 1 13  5  28 o 166.6656 51.10628 7.386288       4.387460  7.492001       5.329928  7.164091       7.727274  168.6425 56.77379 173.2609 66.88549 -4.618469      87.73215 
1 1 1 13  5  29 o 271.4047 38.21553 18.78682       4.743846  23.86033       5.762216  8.115339       8.356944  304.5001 41.29360 178.9263 69.42177 125.5738       80.77464 
1 1 1 13  5  30 o 350.8265 27.89659 30.31175       4.565741  30.93472       6.355265  29.64725       6.563642  346.7407 39.67796 337.4811 42.27275 9.259583       57.97694 
1 1 1 13  5  31 o 184.5236 48.58623 9.496458       4.275375  24.20630       7.465982  2.319093       5.215133  290.5906 56.65350 125.6124 52.58871 164.9782       77.29936 
1 1 1 13  5  32 f 193.4317 46.09980 10.47586       4.135180  7.051130       6.573654  12.71848       5.319502  159.1125 61.61630 207.7976 53.94600 -48.68517      81.89469 
1 1 1 13  5  33 o 96.58860 41.60453 0.7013139      3.427290  3.130202       5.694395  -0.6783167     4.291658  128.7645 54.48417 97.50301 44.02061 31.26147       70.04526 
1 1 1 13  5  34 o 188.6846 48.36059 10.74558       4.312194  8.576100       6.114440  12.89239       6.082411  160.3057 60.05232 194.2312 60.27589 -33.92549      85.08504 
1 1 1 13  7  0  o 596.0662 13.12860 83.70657       3.681138  81.65874       6.846484  84.53930       4.365901  587.4656 24.77513 598.8254 15.49903 -11.35986      29.22374 
1 1 1 13  7  1  o 535.8494 11.79479 67.62488       2.973049  72.26517       6.681880  66.47945       3.319768  552.5435 25.70768 531.1963 13.28567 21.34717       28.93776 
1 1 1 13  7  2  o 138.1848 30.54890 4.706140       1.932965  9.348990       4.334321  3.553492       2.159619  193.5421 47.87276 121.1588 35.56367 72.38337       59.63703 
1 1 1 13  7  3  o 485.9563 11.96174 55.61467       2.734392  57.38363       3.884828  53.87780       3.849443  493.3221 16.74063 477.9875 17.12033 15.33456       23.94482 
1 1 1 13  7  4  o 810.8607 12.12085 154.8333       4.623264  154.5361       6.508844  155.1359       6.568124  809.5923 17.09103 811.1475 17.21362 -1.555237      24.25720 
1 1 1 13  7  5  o 663.1385 12.22647 103.5462       3.813947  103.9966       5.418332  103.1038       5.369471  664.2036 17.34184 661.3536 17.25951 2.850037       24.46691 
1 1 1 13  7  6  o 1622.723 24.42747 621.7130       18.64628  621.7130       18.64628  0.000000       0.000000  1622.723 24.42747 ?        ?        0.000000       24.42747 
1 1 1 13  7  7  o 761.8679 27.37181 137.0690       9.809627  0.000000       0.000000  137.0690       9.809627  ?        ?        761.8679 27.37181 0.000000       27.37181 
1 1 1 13  7  8  o 803.6132 13.28521 152.0159       5.022094  154.3449       7.171562  149.7746       7.035032  809.4116 18.83541 797.3433 18.75648 12.06830       26.58154 
1 1 1 13  7  9  o 1402.733 16.28533 463.3124       10.74585  477.1726       15.63876  450.9148       14.79056  1422.721 23.36756 1383.107 22.73314 39.61365       32.60120 
1 1 1 13  7  10 o 491.2503 15.56661 56.81518       3.597214  57.02426       5.105359  56.60905       5.069291  491.9138 22.06317 490.1230 21.98734 1.790833       31.14846 
1 1 1 13  7  11 o 856.3987 16.16461 172.6802       6.511941  166.3496       10.53026  176.6003       8.286374  839.8047 26.65578 865.8024 20.34588 -25.99768      33.53335 
1 1 1 13  7  12 o 1123.830 18.37712 297.4749       9.715102  298.1570       17.60799  297.1765       11.64861  1123.316 33.32257 1122.920 22.05242 0.3966064      39.95877 
1 1 1 13  7  13 o 1029.108 15.33606 249.3551       7.424107  244.1846       10.30941  254.9248       10.70002  1017.863 21.53155 1039.972 21.87226 -22.10956      30.69207 
1 1 1 13  7  14 o 768.4622 15.32384 139.0532       5.539359  143.7908       7.883306  134.4327       7.785286  781.0146 21.45754 755.1356 21.91696 25.87903       30.67212 
1 1 1 13  7  15 o 783.8602 15.80108 144.7106       5.826324  142.0432       8.166007  147.4765       8.315355  776.0791 22.36837 790.7841 22.35391 -14.70502      31.62343 
1 1 1 13  7  16 o 364.8919 22.69670 31.53372       3.876496  35.84258       5.422786  27.03072       5.543597  388.1898 29.92767 335.8798 35.63046 52.31003       46.53165 
1 1 1 13  7  17 o 907.9949 16.48785 194.2770       7.042336  218.6543       10.58407  174.9110       9.433643  962.3666 23.37992 860.7474 23.29885 101.6193       33.00692 
1 1 1 13  7  18 o 610.0242 17.82287 87.75053       5.114391  93.46983       7.521752  82.83269       6.974854  628.7545 25.43130 591.9433 25.04873 36.81122       35.69580 
1 1 1 13  7  19 o 515.7056 19.87328 62.79427       4.821040  57.21237       6.689735  68.82570       6.953895  490.3233 29.13492 538.2595 27.55661 -47.93616      40.10250 
1 1 1 13  7  20 o 211.3266 47.97372 11.20387       4.659971  13.24614       9.690943  10.58961       5.314758  232.0671 76.51533 204.9206 54.27398 27.14658       93.80971 
1 1 1 13  7  21 o 353.2628 25.85454 29.79523       4.266548  36.52935       6.099840  23.34499       5.969880  389.4801 33.62345 308.3728 42.26697 81.10733       54.00957 
1 1 1 13  7  22 o 499.6478 20.78420 59.17122       4.885024  73.29888       7.098199  46.45921       6.733179  554.5900 27.20864 439.0719 32.83757 115.5182       42.64523 
1 1 1 13  7  23 o 398.0601 23.74143 37.84838       4.425314  33.62243       5.983256  42.95190       6.575224  371.8547 34.60253 421.0654 33.47271 -49.21072      48.14309 
1 1 1 13  7  24 o 385.8125 24.64821 35.69248       4.449970  37.09710       6.424115  34.39679       6.169991  389.4688 35.45294 374.9379 35.40191 14.53094       50.10195 
1 1 1 13  7  25 f 143.4790 49.58094 4.883159       4.069557  -1.643579      6.207465  9.802810       5.389311  119.6169 53.55973 192.4695 56.09063 -72.85260      77.55517 
1 1 1 13  7  26 o 118.3139 46.46910 2.388501       3.780546  -1.283497      5.226108  6.419487       5.475614  110.3901 49.30634 161.9916 57.40019 -51.60154      75.66965 
1 1 1 13  7  27 o 321.2250 28.84651 25.23400       4.312384  30.18429       6.218615  20.64814       5.985335  346.4556 38.82488 281.7153 46.80841 64.74036       60.81446 
1 1 1 13  7  28 o 538.2095 21.50930 69.47915       5.445614  69.04611       7.533889  69.95292       7.880307  530.7235 30.30306 533.3035 31.55265 -2.580017      43.74752 
1 1 1 13  7  29 o 257.0897 35.91933 16.75981       4.225290  12.26300       5.685815  22.30589       6.314422  208.9815 56.48979 289.7199 48.01386 -80.73846      74.13789 
1 1 1 13  7  30 o 115.2938 46.67994 2.155763       3.932644  12.93403       5.662573  -7.886580      5.465838  212.9982 55.83484 86.95502 42.25576 126.0431       70.02199 
1 1 1 13  7  31 o 88.57033 40.63760 -1.852994      3.847980  7.850773       6.492157  -7.108194      4.777640  166.9753 62.01114 80.60866 39.24784 86.36665       73.38783 
1 1 1 13  7  32 o 261.9870 34.87586 17.84127       4.191294  18.95363       7.200931  17.27135       5.154367  245.9863 62.19502 249.7856 45.54522 -3.799393      77.08818 
1 1 1 13  7  33 o 269.5945 38.75318 19.63081       4.773320  23.46017       7.026764  16.34958       6.504440  277.2046 55.81812 224.8115 60.27337 52.39310       82.14950 
1 1 1 13  7  34 o 177.7033 50.67645 9.872663       4.443247  19.49762       6.676154  2.219382       5.953203  242.3764 59.09003 121.3327 53.49205 121.0437       79.70590 
1 1 1 13  9  0  o 1170.387 13.64128 322.5876       7.510238  320.9146       11.10947  323.9958       10.19191  1166.460 20.24669 1172.319 18.48165 -5.858276      27.41350 
1 1 1 13  9  1  f 509.5542 11.47294 61.12185       2.750010  67.65755       6.689013  59.79247       3.016752  535.0947 26.57431 503.9322 12.72618 31.16257       29.46438 
1 1 1 13  9  2  o 290.2430 15.85947 19.90338       2.157111  21.52794       5.130735  19.55456       2.377439  299.0030 37.28876 287.5229 17.66343 11.48004       41.26074 
1 1 1 13  9  3  o 360.5078 15.05271 30.60765       2.552694  24.57491       5.586809  32.19943       2.869774  319.7536 37.87958 369.7151 16.50103 -49.96155      41.31763 
1 1 1 13  9  4  o 720.7952 13.27572 122.3087       4.501314  129.4590       7.377464  118.0681       5.681393  741.0472 21.16372 707.9805 17.05942 33.06665       27.18320 
1 1 1 13  9  5  o 1775.325 20.98546 742.8326       17.52531  726.3608       21.05149  780.0239       31.63246  1754.669 25.50459 1815.271 37.04437 -60.60205      44.97521 
1 1 1 13  9  6  o 884.5842 12.95138 184.1754       5.389202  184.4486       7.537129  183.8895       7.708733  884.9349 18.10612 883.5621 18.54712 1.372742       25.91963 
1 1 1 13  9  7  o 497.1178 16.03206 58.18476       3.749023  54.63637       4.316345  69.08443       7.564968  481.6179 19.05216 540.1709 29.88812 -58.55298      35.44410 
1 1 1 13  9  8  o 1068.606 16.56116 268.8661       8.324875  261.0062       9.782367  289.5066       15.85231  1052.634 19.75592 1107.468 30.42930 -54.83423      36.28000 
1 1 1 13  9  9  o 560.1111 14.24949 73.84598       3.754419  71.80465       5.198697  76.07121       5.427812  552.1058 20.01718 568.2591 20.30528 -16.15332      28.51302 
1 1 1 13  9  10 o 664.6436 15.71829 104.0014       4.914321  105.6480       7.969641  102.9912       6.242365  669.3663 25.31079 661.2050 20.06983 8.161255       32.30223 
1 1 1 13  9  11 o 1454.729 17.03137 498.3431       11.65470  486.8839       16.11560  510.9079       16.87509  1437.074 23.83954 1472.024 24.37037 -34.94922      34.09162 
1 1 1 13  9  12 o 683.8308 14.89468 110.0948       4.791253  110.9667       6.832414  109.2512       6.720678  686.1870 21.16715 680.8741 20.98345 5.312866       29.80526 
1 1 1 13  9  13 o 691.0637 18.47255 112.5103       6.005015  117.1819       11.79692  110.8765       6.976513  702.7728 35.80353 685.8181 21.62520 16.95477       41.82753 
1 1 1 13  9  14 o 1218.961 18.62249 350.1214       10.67817  357.2533       13.45580  337.9905       17.54909  1230.682 23.24312 1195.671 31.20136 35.01074       38.90717 
1 1 1 13  9  15 o 827.7163 15.58082 161.3716       6.066543  164.2912       8.573201  158.4435       8.585587  834.5925 21.83732 819.5583 22.27003 15.03412       31.19010 
1 1 1 13  9  16 o 779.0200 15.91719 142.9805       5.832899  148.5050       8.366586  137.7561       8.136169  793.2628 22.42136 763.9899 22.63930 29.27289       31.86307 
1 1 1 13  9  17 o 153.0551 49.15591 5.488384       4.013319  1.997184       4.786892  13.74852       7.363085  129.1808 51.78144 234.2800 64.68472 -105.0992      82.85789 
1 1 1 13  9  18 o 884.8835 23.63673 185.1307       9.838816  0.000000       0.000000  185.1307       9.838816  ?        ?        884.8835 23.63673 0.000000       23.63673 
1 1 1 13  9  19 o 1154.634 17.40753 314.6501       9.454766  325.6279       13.77615  304.8748       12.99972  1172.465 24.97806 1134.686 24.35506 37.77930       34.88656 
1 1 1 13  9  20 o 1119.211 17.62466 295.8882       9.279016  296.5424       13.30931  295.2693       12.94337  1117.907 25.30932 1115.753 24.66096 2.154053       35.33730 
1 1 1 13  9  21 o 158.9323 46.30931 6.286758       3.673852  5.247493       5.074671  7.431357       5.325633  154.8710 55.21785 174.7404 56.67818 -19.86938      79.12918 
1 1 1 13  9  22 o 294.3363 29.18215 20.91387       3.987203  19.31882       5.622674  22.52730       5.654978  278.1164 44.47676 302.0461 40.84838 -23.92972      60.38851 
1 1 1 13  9  23 o 171.2757 44.42025 7.484932       3.609097  9.744646       5.085062  5.191179       5.123219  193.8505 53.84274 153.1050 55.37506 40.74551       77.23624 
1 1 1 13  9  24 o 93.61958 43.85932 -4.324531      4.850454  -2.153092      6.370975  -7.318668      7.481143  119.4939 53.82079 112.5666 53.26778 6.927307       75.72406 
1 1 1 13  9  25 o 260.6006 33.62082 16.79367       4.025365  13.30750       5.580050  20.57637       5.812514  223.6702 53.71126 283.8535 45.03489 -60.18332      70.09309 
1 1 1 13  9  26 o 135.9963 47.50001 4.379573       3.739917  1.882259       5.356917  6.754207       5.223682  128.7162 53.54258 163.5798 56.19338 -34.86360      77.61768 
1 1 1 13  9  27 o 256.4176 49.29348 17.37155       5.729770  23.80797       9.163946  13.24019       7.341874  287.8269 68.64664 215.9902 66.09054 71.83673       95.29072 
1 1 1 13  9  28 o 98.59675 46.00414 -3.820196      5.247671  0.000000       0.000000  -3.820196      5.247671  ?        ?        98.59675 46.00414 0.000000       46.00414 
1 1 1 13  9  29 o 244.1159 35.96815 15.16979       4.006539  13.14872       5.586409  17.31043       5.749305  216.8688 54.75210 252.7502 50.12678 -35.88133      74.23266 
1 1 1 13  9  30 o 185.3905 57.31774 9.896289       5.505871  10.25565       7.303895  9.423306       8.379386  186.4654 66.27026 181.8826 69.79826 4.582840       96.24731 
1 1 1 13  9  31 o 97.29337 42.54037 0.1000223      3.695852  -4.785969      5.711708  3.619235       4.847439  97.48514 46.25095 130.7403 52.21347 -33.25516      69.75240 
1 1 1 13  9  33 o 154.8734 58.71232 7.455411       5.883675  0.000000       0.000000  7.455411       5.883675  ?        ?        154.8734 58.71232 0.000000       58.71232 
1 1 1 13  11 0  o 1268.412 14.29835 378.7304       8.531308  403.5209       13.52491  362.3483       10.99455  1308.509 21.97296 1240.287 18.84456 68.22192       28.94699 
1 1 1 13  11 1  o 741.8206 13.18438 129.5229       4.600742  128.6266       9.108489  129.8299       5.330745  738.4725 26.22060 742.6094 15.26013 -4.136841      30.33795 
1 1 1 13  11 2  o 296.3816 15.19914 20.73402       2.111913  35.93936       5.842526  18.44864       2.265071  388.7662 32.23883 279.3629 17.32170 109.4033       36.59759 
1 1 1 13  11 3  o 1479.746 16.00639 515.5242       11.14166  520.2141       23.44239  514.1556       12.66334  1483.935 33.58287 1477.562 18.21937 6.373047       38.20673 
1 1 1 13  11 4  o 740.1379 14.89413 128.9531       5.185577  158.1154       10.95369  120.5295       5.887064  818.6501 28.44415 715.4408 17.49266 103.2093       33.39256 
1 1 1 13  11 5  o 797.4386 12.58046 149.6550       4.719142  155.8544       6.732514  143.6670       6.616742  813.5573 17.59219 781.0795 18.00859 32.47784       25.17527 
1 1 1 13  11 6  o 1029.213 13.52231 249.3133       6.546747  256.2136       9.361538  242.7086       9.158788  1043.007 19.08054 1015.139 19.17975 27.86761       27.05420 
1 1 1 13  11 7  o 1025.412 13.76970 247.4829       6.641897  243.7348       9.220361  251.5255       9.575843  1017.271 19.26823 1033.369 19.69937 -16.09766      27.55594 
1 1 1 13  11 8  o 965.2137 16.19869 219.3448       7.354831  223.6862       8.890079  209.9287       13.09274  974.5046 19.39333 943.1594 29.51046 31.34515       35.31245 
1 1 1 13  11 9  o 1021.069 19.70629 245.6029       9.465191  256.5993       12.75047  232.1047       14.12667  1043.071 25.98621 991.5523 30.28690 51.51898       39.90714 
1 1 1 13  11 10 o 774.4841 14.00649 141.1984       5.102829  140.1865       7.216836  142.2101       7.216144  771.3741 19.88898 776.9313 19.74482 -5.557190      28.02551 
1 1 1 13  11 11 o 1024.212 16.67328 247.0425       8.033043  261.9203       13.54937  238.9785       9.975257  1053.470 27.34184 1006.975 21.05891 46.49457       34.51165 
1 1 1 13  11 12 f 640.5044 16.91953 96.62724       5.097763  97.11488       6.439441  95.80858       8.343599  641.8506 21.32774 637.0145 27.84421 4.836182       35.07381 
1 1 1 13  11 13 o 1090.627 17.61773 280.2348       9.038481  277.2060       11.23516  285.7907       15.21687  1084.204 22.02923 1099.734 29.41496 -15.53052      36.74951 
1 1 1 13  11 14 o 892.8033 18.58617 187.8692       7.805756  181.1534       14.76701  190.4733       9.195415  874.2181 35.90902 898.6240 21.75324 -24.40588      41.98406 
1 1 1 13  11 15 o 199.9117 34.85545 9.746785       3.158591  11.37675       4.499847  8.163667       4.434710  214.4098 45.99400 181.9430 50.18596 32.46677       68.07407 
1 1 1 13  11 16 f 889.3547 15.81390 186.4012       6.615814  184.4666       9.291835  188.3904       9.421869  883.8564 22.34861 893.1953 22.42443 -9.338806      31.65936 
1 1 1 13  11 17 o 170.4466 45.38731 7.209142       3.703903  6.602260       5.827089  7.620573       4.797867  171.9569 59.33428 176.7251 53.28749 -4.768188      79.75032 
1 1 1 13  11 18 o 507.4937 22.74144 60.93087       5.428977  59.63541       6.350799  64.44709       10.46295  500.7519 27.06149 516.2440 43.49046 -15.49203      51.22250 
1 1 1 13  11 19 o 131.7189 45.52850 3.834865       3.431607  -2.490504      4.612697  11.67475       5.135311  99.88373 45.31493 214.8375 51.48674 -114.9537      68.58810 
1 1 1 13  11 20 o 449.3539 23.48766 48.04164       4.947510  45.75521       6.159343  52.19977       8.306234  436.8727 30.15626 464.1389 38.38865 -27.26627      48.81689 
1 1 1 13  11 21 o 193.6124 47.77201 9.547777       4.324134  12.93698       8.872687  8.492045       4.952027  224.1729 73.18015 183.0192 53.89039 41.15366       90.88184 
1 1 1 13  11 22 o 275.4830 29.87056 18.40656       3.808847  17.61029       5.477136  19.15224       5.300264  264.2227 45.72225 277.1894 41.96178 -12.96671      62.05896 
1 1 1 13  11 23 o 99.38935 42.41885 0.2059535      3.503359  2.854479       5.030126  -2.289067      4.882180  134.1587 53.31116 102.7858 46.62703 31.37292       70.82485 
1 1 1 13  11 24 o 89.25363 40.31295 -1.591373      3.603514  -4.372805      4.990255  1.439319       5.209061  94.93057 44.47777 125.7406 52.59295 -30.81004      68.87881 
1 1 1 13  11 25 o 328.6897 32.57002 26.55047       4.969565  25.55970       5.845000  29.13496       9.440315  319.1418 39.79919 326.3634 63.77819 -7.221649      75.17734 
1 1 1 13  11 26 o 162.6126 50.12231 6.895625       4.213919  3.943990       5.172617  12.71998       7.266125  140.8960 54.63066 213.1945 65.83442 -72.29849      85.54929 
1 1 1 13  11 27 o 329.3127 46.06910 28.09950       6.941173  21.18609       9.857354  34.89893       9.775756  265.3338 75.41635 356.6115 60.43366 -91.27768      96.64291 
1 1 1 13  11 28 o 168.5335 53.71733 7.654072       4.799662  -0.5823425     8.992638  10.93503       5.675685  142.6548 64.12657 197.6895 57.54716 -55.03468      86.16202 
1 1 1 13  11 29 o 139.8567 50.81710 4.782128       4.321737  1.162307       7.137746  6.877228       5.430252  135.2231 59.12183 160.9954 57.14965 -25.77228      82.22817 
1 1 1 13  11 30 o 384.1364 26.64744 36.36438       4.785381  41.17123       7.936862  33.61892       5.998272  394.6093 43.47912 362.9184 35.59373 31.69095       56.19028 
1 1 1 13  11 31 o 107.2864 46.54200 0.7122881      4.350742  -6.245542      5.547726  11.82818       7.012135  90.86108 43.76348 192.4870 65.11813 -101.6259      78.45771 
1 1 1 13  11 32 o 163.9708 48.74905 7.877656       4.036377  5.873960       5.570799  10.09215       5.856512  145.7955 56.64874 177.8899 59.51414 -32.09445      82.16454 
1 1 1 13  11 33 o 88.00540 40.54009 -1.447358      3.882036  -8.665280      5.473926  5.856124       5.506274  81.41355 40.12037 141.8415 55.96251 -60.42797      68.85815 
1 1 1 13  13 0  o 1213.046 13.85767 346.3430       7.907457  375.2935       12.74240  328.2120       10.08403  1262.093 21.46300 1180.564 18.15830 81.52930       28.11377 
1 1 1 13  13 1  o 329.5195 12.68521 25.55417       1.966292  24.23988       4.062356  25.95629       2.247055  319.4295 27.29758 332.0737 14.38500 -12.64413      30.85589 
1 1 1 13  13 2  o 1986.452 19.60373 929.4279       18.31833  981.5696       40.24873  915.8054       20.57255  2036.197 42.02068 1971.446 22.18370 64.75085       47.51689 
1 1 1 13  13 3  o 475.5974 13.92946 53.23943       3.116328  46.87872       6.789024  54.93742       3.507705  444.3671 32.70844 483.0822 15.43592 -38.71509      36.16780 
1 1 1 13  13 4  o 1102.432 13.88641 286.0624       7.201305  282.2533       15.36666  287.1343       8.151864  1093.620 29.87061 1104.384 15.69161 -10.76477      33.74136 
1 1 1 13  13 5  o 999.3807 13.87009 235.0849       6.520481  260.2557       14.99222  229.2129       7.241220  1050.043 30.35217 986.7231 15.60081 63.31958       34.12682 
1 1 1 13  13 6  o 865.3427 12.82637 176.2383       5.221091  186.3126       7.581402  167.1502       7.200768  889.4414 18.12020 842.4577 18.17027 46.98370       25.66126 
1 1 1 13  13 7  o 1068.617 13.83397 268.7988       6.954057  274.2306       9.842549  263.3847       9.826515  1078.949 19.39266 1057.366 19.75626 21.58276       27.68366 
1 1 1 13  13 8  o 488.2344 14.04766 56.11340       3.226278  55.52971       4.374480  56.80956       4.777390  485.5107 19.15395 491.0092 20.68386 -5.498535      28.19035 
1 1 1 13  13 9  o 391.9568 18.86726 36.19272       3.478694  33.49974       3.959590  45.30322       7.282905  376.2981 22.47175 436.1601 35.81297 -59.86203      42.27941 
1 1 1 13  13 10 o 716.0712 16.28704 120.7570       5.486149  119.3389       6.377778  124.7919       10.75798  711.6852 19.05075 726.6555 31.47262 -14.97028      36.78936 
1 1 1 13  13 11 o 775.6629 14.22244 141.6599       5.189392  146.2615       7.283320  136.9150       7.395788  787.7800 19.65419 762.1155 20.62977 25.66455       28.49341 
1 1 1 13  13 12 o 307.8714 22.84857 22.48260       3.285404  20.13462       4.017414  27.22355       5.708627  290.3346 29.84030 336.9788 36.60159 -46.64426      47.22415 
1 1 1 13  13 13 o 1250.572 16.27035 368.4608       9.571387  375.4078       13.57989  361.6030       13.49251  1261.263 22.88870 1237.804 23.17242 23.45886       32.57075 
1 1 1 13  13 14 o 1118.196 16.05851 294.6375       8.446805  294.8302       11.89416  294.4414       11.99769  1117.533 22.62580 1116.757 22.83860 0.7762451      32.14854 
1 1 1 13  13 15 o 283.5231 24.90019 19.14935       3.287292  20.80690       4.507393  17.26591       4.804701  294.2629 33.13956 266.4174 39.53804 27.84558       51.58960 
1 1 1 13  13 16 o 517.3884 18.97587 63.18677       4.618359  65.75506       6.966030  61.17253       6.169044  525.9152 28.26152 507.6423 25.92033 18.27283       38.34811 
1 1 1 13  13 17 o 779.9866 16.41817 143.5441       6.023949  148.1359       8.466944  138.8372       8.572336  791.2170 22.74897 765.7637 23.79771 25.45325       32.92182 
1 1 1 13  13 18 o 355.1425 24.70318 30.05638       4.101220  34.63139       6.314493  26.71831       5.393734  378.7590 35.86836 332.4892 35.01222 46.26984       50.12379 
1 1 1 13  13 19 o 551.5746 26.48358 72.36916       6.871480  72.36916       6.871480  0.000000       0.000000  551.5746 26.48358 ?        ?        0.000000       26.48358 
1 1 1 13  13 20 o 133.8204 45.43226 4.112078       3.413424  4.824738       4.668937  3.293796       5.002976  148.3710 52.95764 138.5332 53.72379 9.837830       75.43710 
1 1 1 13  13 21 o 242.2743 40.83862 14.65797       4.488717  13.56887       5.254725  17.59810       8.633749  229.9488 50.00402 255.6079 69.82690 -25.65912      85.88480 
1 1 1 13  13 22 o 183.1751 49.30897 8.668243       4.342813  3.718787       8.550900  10.38867       5.041406  165.0230 68.06028 199.5721 52.86100 -34.54906      86.17706 
1 1 1 13  13 23 o 160.6958 45.69767 6.623795       3.618309  1.314534       4.954224  12.69336       5.297091  122.7526 51.31223 219.8592 52.02841 -97.10660      73.07462 
1 1 1 13  13 24 o 111.4964 44.28899 1.900566       3.470425  4.806411       4.960148  -0.8860375     4.857312  147.1984 54.29465 108.6697 48.09273 38.52872       72.53151 
1 1 1 13  13 25 o 267.8992 31.23129 17.66463       3.861905  15.75217       5.180801  20.05623       5.793540  246.4275 46.39526 279.1494 45.70224 -32.72195      65.12461 
1 1 1 13  13 26 o 527.3837 20.64616 66.49017       5.121950  54.75215       6.694656  83.06024       7.954142  473.3737 30.22228 584.9315 28.90806 -111.5579      41.82179 
1 1 1 13  13 27 o 355.7448 26.70392 30.83571       4.436111  28.64613       5.994266  33.48700       6.596038  336.6104 38.55151 363.8161 39.15855 -27.20572      54.95099 
1 1 1 13  13 28 o 155.8840 50.67073 6.449034       4.255548  11.90844       6.588875  2.541752       5.574113  202.9592 62.69420 131.9495 54.72979 71.00961       83.22207 
1 1 1 13  13 29 o 105.3113 43.83432 1.286509       3.593637  4.866231       5.738586  -1.022979      4.609334  146.1590 57.29959 102.2424 45.94011 43.91667       73.44207 
1 1 1 13  13 30 o 222.1321 35.85151 12.82568       3.618613  15.42212       5.870559  11.23466       4.595454  230.3950 54.94006 199.6009 49.24695 30.79407       73.78125 
1 1 1 13  13 31 o 129.9400 48.05293 4.322474       3.890257  6.343639       5.628558  2.473841       5.382965  150.9622 57.37823 124.7455 52.88896 26.21673       78.03527 
1 1 1 13  13 32 f 147.2928 50.43844 6.394300       4.207474  4.310345       6.144379  8.234245       5.773462  136.0871 57.03479 161.2997 58.71588 -25.21259      81.85672 
1 1 1 13  15 0  o 2047.008 20.13472 987.2326       19.38806  1017.128       28.82565  962.5355       26.19979  2075.736 29.52144 2019.733 27.57621 56.00342       40.39756 
1 1 1 13  15 1  o 1412.020 15.48567 469.4157       10.28585  491.3853       16.04777  454.0970       13.40034  1443.721 23.62992 1388.261 20.51990 55.45935       31.29600 
1 1 1 13  15 2  o 246.3776 14.70843 14.34108       1.696879  15.01189       5.603393  14.27335       1.780483  247.0063 49.94194 245.7348 15.48203 1.271515       52.28661 
1 1 1 13  15 3  o 869.2395 13.55053 177.8515       5.540706  181.2129       11.85311  176.9116       6.267619  876.2174 28.75751 866.8427 15.37068 9.374756       32.60755 
1 1 1 13  15 4  o 155.2433 26.27129 5.841715       1.850068  2.406065       5.758833  6.237103       1.953627  142.2003 56.86793 160.4477 26.83195 -18.24742      62.88017 
1 1 1 13  15 5  o 756.0322 12.84552 134.5361       4.568371  138.5850       10.90985  133.6752       5.030653  766.0450 30.27576 753.5484 14.19201 12.49658       33.43703 
1 1 1 13  15 6  o 392.2592 16.77477 36.23666       3.095274  25.17242       6.945751  38.97840       3.457578  322.1907 47.23096 406.7861 18.06910 -84.59540      50.56932 
1 1 1 13  15 7  o 1034.530 16.60002 252.0585       8.078321  261.5636       15.66679  248.6160       9.428378  1052.020 31.65823 1027.182 19.51283 24.83850       37.18863 
1 1 1 13  15 8  o 570.4992 14.34137 76.63072       3.848709  81.98574       5.771845  72.34344       5.164456  589.7563 20.80524 554.0478 19.81564 35.70850       28.73182 
1 1 1 13  15 9  o 812.5697 13.29638 155.4451       5.082334  157.6625       7.024140  153.0087       7.362828  817.9979 18.25457 805.7386 19.42590 12.25922       26.65699 
1 1 1 13  15 10 o 1028.047 16.95855 248.9983       8.201077  254.0099       9.832932  237.5446       14.86507  1037.983 20.13833 1002.054 31.53599 35.92877       37.41752 
1 1 1 13  15 11 o 712.9733 16.66873 119.7741       5.590427  119.0838       6.301666  122.3246       12.11333  710.7388 18.84846 718.2000 35.85493 -7.461182      40.50729 
1 1 1 13  15 12 o 836.9422 14.37260 164.9969       5.658483  155.6813       7.366338  178.4055       8.837720  812.4911 19.27364 869.4724 21.60803 -56.98120      28.95479 
1 1 1 13  15 13 o 755.9666 14.71594 134.6524       5.233112  133.1981       7.065126  136.4200       7.789222  751.3114 19.99082 760.1112 21.78450 -8.799805      29.56683 
1 1 1 13  15 14 o 364.4394 19.96772 31.44920       3.410100  39.61292       4.759582  22.83828       4.888210  408.4519 24.89063 308.0597 34.31543 100.3922       42.39212 
1 1 1 13  15 15 o 308.0358 62.36270 24.01308       8.726408  0.000000       0.000000  24.01308       8.726408  ?        ?        308.0358 62.36270 0.000000       62.36270 
1 1 1 13  15 16 o 580.7867 20.80858 79.77116       5.684973  97.14627       12.73437  75.44645       6.353204  633.9642 42.95503 564.3278 23.93272 69.63641       49.17225 
1 1 1 13  15 17 o 367.0558 21.27501 32.00218       3.657670  33.20127       5.052978  30.68229       5.301414  372.3384 29.08038 357.1910 31.88691 15.14743       43.15603 
1 1 1 13  15 18 o 272.3557 28.02429 17.85508       3.539138  27.21251       4.992094  8.399527       5.018203  335.8325 31.98679 182.8126 54.35673 153.0199       63.06987 
1 1 1 13  15 19 o 570.5272 17.89162 77.03087       4.801703  80.84600       6.772133  73.17376       6.809288  582.8675 24.69940 554.1396 26.12241 28.72791       35.95053 
1 1 1 13  15 20 o 310.8957 26.09338 23.23066       3.780758  26.49819       5.277583  19.78592       5.418812  329.6684 34.54524 281.8196 42.17173 47.84885       54.51448 
1 1 1 13  15 21 o 691.4990 17.39599 113.3242       5.658612  107.0928       7.610587  121.0276       8.461914  669.8705 24.15227 711.6278 25.27822 -41.75726      34.96170 
1 1 1 13  15 22 o 239.5561 34.46923 14.20167       3.772409  17.72592       5.566465  11.20821       5.130186  263.3321 46.64457 206.5473 52.64553 56.78482       70.33681 
1 1 1 13  15 23 o 200.8093 47.02983 10.49182       4.364418  -1.966112      8.205955  15.40593       5.153815  136.1679 61.22956 244.5465 46.50158 -108.3787      76.88600 
1 1 1 13  15 24 o 354.2117 24.26449 30.22101       4.018632  26.07554       5.357375  35.55455       6.076770  324.4415 35.69344 380.0219 34.36522 -55.58035      49.54785 
1 1 1 13  15 25 o 234.5938 35.71327 13.80824       3.816690  13.79382       5.367331  13.82299       5.428419  227.6040 51.35239 227.6166 51.85650 -0.1260376E-01 72.98058 
1 1 1 13  15 26 o 154.9340 56.41557 5.795905       5.330524  11.81629       6.708899  -4.512486      8.778788  205.1013 63.24723 129.5336 60.12376 75.56772       87.26442 
1 1 1 13  15 27 o 175.5719 46.81012 8.269291       3.936619  5.781626       4.939292  12.60107       6.517814  152.0500 54.44821 209.7823 61.84161 -57.73228      82.39534 
1 1 1 13  15 28 o 106.8051 44.27099 1.372826       3.643783  -3.522593      5.788887  4.585096       4.689280  104.3092 48.55174 139.7463 52.54314 -35.43707      71.54057 
1 1 1 13  15 29 o 256.5121 40.02935 17.29320       4.672368  0.000000       0.000000  17.29320       4.672368  ?        ?        256.5121 40.02935 0.000000       40.02935 
1 1 1 13  15 30 o 137.5810 47.22516 5.098022       3.689026  5.324019       5.168142  4.863258       5.267417  143.4960 54.87557 140.4901 54.94651 3.005966       77.65595 
1 1 1 13  15 31 o 95.20695 41.98039 0.8346300E-01  3.667993  11.16825       5.294694  -10.14566      5.086235  189.7335 55.68294 75.23823 37.36018 114.4953       67.05500 
1 1 1 13  17 0  o 1550.911 22.61184 567.1995       16.49652  0.000000       0.000000  567.1995       16.49652  ?        ?        1550.911 22.61184 0.000000       22.61184 
1 1 1 13  17 1  o 1129.658 14.09969 300.4480       7.492487  293.4978       11.22838  306.0266       10.05965  1115.788 21.39273 1139.657 18.76460 -23.86951      28.45627 
1 1 1 13  17 2  o 582.7463 12.32623 79.93425       3.378930  82.49109       8.216742  79.41387       3.706862  590.1664 29.69243 580.7989 13.56786 9.367493       32.64547 
1 1 1 13  17 3  o 369.2093 11.90152 32.08497       2.067019  26.76576       6.196604  32.75095       2.192602  333.5853 40.30639 373.0074 12.49606 -39.42215      42.19901 
1 1 1 13  17 4  o 275.6862 14.06216 17.94113       1.817566  31.00476       6.924010  16.97433       1.883622  359.0693 41.77381 268.0666 14.99779 91.00272       44.38451 
1 1 1 13  17 5  o 897.4719 12.61369 189.6085       5.325158  194.5601       12.99714  188.6096       5.837629  907.2178 30.45558 895.0240 13.86540 12.19379       33.46329 
1 1 1 13  17 6  o 388.4130 15.36793 35.53125       2.807879  43.81689       7.723484  34.26936       3.014123  428.0816 38.77542 381.4035 16.79991 46.67816       42.25838 
1 1 1 13  17 7  o 715.5667 18.79036 120.6880       6.324912  0.000000       0.000000  120.6880       6.324912  ?        ?        715.5667 18.79036 0.000000       18.79036 
1 1 1 13  17 8  o 491.5880 18.07318 56.95833       4.179315  53.80500       8.399612  57.99585       4.818046  474.6140 37.93978 495.8853 20.65477 -21.27121      43.19776 
1 1 1 13  17 9  o 1135.203 17.33709 303.7404       9.258040  314.9911       11.21907  279.7265       16.39076  1155.528 20.63987 1086.637 32.06604 68.89148       38.13444 
1 1 1 13  17 10 o 1349.816 16.10600 429.3983       10.22661  434.5102       14.47871  424.3092       14.44656  1356.488 22.69052 1340.418 22.91157 16.06982       32.24592 
1 1 1 13  17 11 o 480.2055 15.27410 54.34632       3.450261  51.21793       4.393157  59.38198       5.573705  465.8400 20.04799 501.2558 23.63824 -35.41580      30.99497 
1 1 1 13  17 12 o 581.5274 17.01295 79.76244       4.653923  77.12183       5.173509  90.96315       10.65505  571.5969 19.24093 616.7664 36.89459 -45.16949      41.61039 
1 1 1 13  17 13 o 502.3448 15.43537 59.50773       3.647442  60.89203       4.872667  57.74353       5.500786  507.6612 20.40438 493.9752 23.67283 13.68604       31.25287 
1 1 1 13  17 14 o 889.7876 14.97466 186.7302       6.267764  187.6195       8.660861  185.7524       9.082044  890.7899 20.66886 886.0872 21.78903 4.702698       30.03271 
1 1 1 13  17 15 o 542.2713 16.06162 69.41155       4.097088  68.26847       5.522924  70.81043       6.109728  536.9673 21.86512 546.5449 23.76439 -9.577637      32.29288 
1 1 1 13  17 16 o 641.2404 20.13600 97.33064       6.073841  76.78360       11.64940  105.0015       7.117888  561.0744 44.50333 665.4484 22.73879 -104.3740      49.97599 
1 1 1 13  17 17 o 473.4259 17.83857 53.01522       3.972659  46.71483       5.268199  61.32074       6.048697  442.4165 25.42086 507.7087 25.32666 -65.29224      35.88398 
1 1 1 13  17 18 o 160.5704 40.18657 6.499742       3.028187  8.262651       3.997780  4.126730       4.638246  180.1701 46.76275 141.9934 52.47768 38.17671       70.28983 
1 1 1 13  17 19 o 325.4829 23.33454 25.34959       3.548994  24.37094       4.758957  26.57581       5.327018  316.6068 32.41063 329.9391 34.85006 -13.33224      47.59176 
1 1 1 13  17 20 o 204.5721 40.39518 10.56714       3.749332  11.99355       4.327017  6.269323       7.510857  217.1303 43.87384 173.1974 66.17313 43.93289       79.39645 
1 1 1 13  17 21 o 376.3191 23.83040 33.95846       4.196710  35.13675       6.248724  32.99027       5.664307  378.4949 35.51156 367.6486 33.10764 10.84625       48.55087 
1 1 1 13  17 22 o 388.2699 22.08317 36.08082       4.016669  28.66597       5.153313  47.55817       6.411449  342.4498 32.37444 442.4165 31.00334 -99.96671      44.82534 
1 1 1 13  17 23 o 642.1689 18.09998 98.01411       5.467599  89.48075       7.296921  108.9390       8.256368  610.4973 25.40894 673.2526 26.07004 -62.75537      36.40414 
1 1 1 13  17 24 o 172.1180 45.89047 7.749344       3.783395  3.179398       4.593858  17.38407       6.670244  131.3789 51.33257 253.4091 57.30030 -122.0302      76.93086 
1 1 1 13  17 25 o 105.1176 42.71946 1.440222       3.307287  3.851387       4.565118  -1.223205      4.797987  135.6941 51.65048 105.3440 47.13420 30.35010       69.92428 
1 1 1 13  17 26 o 94.10035 40.12356 0.3676115      3.129116  1.983544       4.268067  -1.510388      4.601160  118.3471 48.36141 101.0744 45.61151 17.27269       66.47734 
1 1 1 13  17 27 o 494.7981 28.16915 60.10179       6.529363  63.82283       8.553242  54.90488       10.10814  503.0102 36.39381 455.3924 47.90459 47.61783       60.16111 
1 1 1 13  17 28 o 81.29585 37.04111 -1.436595      3.124568  -0.9042807     4.932804  -1.793292      4.037937  105.8629 47.54874 91.56506 41.87043 14.29781       63.35625 
1 1 1 13  17 29 o 170.5076 46.65874 8.149127       3.851109  12.95482       5.755735  4.253865       5.181927  208.1365 57.07693 136.5659 54.15950 71.57056       78.68308 
1 1 1 13  17 30 f 244.0483 55.03490 17.86564       6.167351  0.000000       0.000000  17.86564       6.167351  ?        ?        244.0483 55.03490 0.000000       55.03490 
1 1 1 13  19 0  o 262.4716 47.88532 16.94411       5.694417  16.94411       5.694417  0.000000       0.000000  262.4716 47.88532 ?        ?        0.000000       47.88532 
1 1 1 13  19 1  o 641.6248 19.96528 97.08681       6.025954  0.000000       0.000000  97.08681       6.025954  ?        ?        641.6248 19.96528 0.000000       19.96528 
1 1 1 13  19 2  o 939.7220 19.71369 208.2467       8.714382  225.7135       13.66834  196.2842       11.31149  976.7044 29.74974 911.3875 26.38442 65.31689       39.76411 
1 1 1 13  19 3  o 68.75184 28.03011 0.4092236      1.429635  4.063615       5.716306  0.1653942      1.476560  152.5601 57.86259 66.81467 27.97833 85.74546       64.27181 
1 1 1 13  19 4  o 456.4430 11.40478 49.04733       2.448740  66.34959       8.399783  47.44030       2.559934  527.8857 34.00760 448.8760 12.12364 79.00977       36.10401 
1 1 1 13  19 5  o 693.7433 13.52733 113.3519       4.414487  121.7301       10.67321  111.6229       4.848652  716.7429 31.65647 688.3264 14.97467 28.41650       35.01961 
1 1 1 13  19 6  o 198.4423 19.25570 9.375916       1.774851  0.000000       0.000000  9.375916       1.774851  ?        ?        198.4423 19.25570 0.000000       19.25570 
1 1 1 13  19 7  o 687.0029 16.14734 111.2517       5.218297  113.7634       10.86117  110.4980       5.950033  692.2478 33.35383 684.4399 18.48055 7.807922       38.13147 
1 1 1 13  19 8  o 693.7638 13.55447 113.3921       4.423473  104.7265       10.42027  115.2970       4.885522  663.1019 33.51508 699.4508 14.84857 -36.34888      36.65706 
1 1 1 13  19 9  o 578.2506 15.05499 78.81922       4.095114  86.97979       10.15592  77.23478       4.475039  603.2913 35.94995 572.2704 16.62364 31.02081       39.60738 
1 1 1 13  19 10 f 165.5173 30.16305 6.703983       2.261957  9.131859       2.696212  0.9346017      4.156286  193.7866 30.59261 114.3055 47.32290 79.48113       56.35038 
1 1 1 13  19 11 o 598.8542 13.56896 84.53073       3.822406  85.59319       5.093973  83.16155       5.782686  602.1172 17.98483 593.1367 20.72552 8.980530       27.44087 
1 1 1 13  19 12 o 526.8876 14.01027 65.45874       3.472433  65.30204       4.606334  65.66499       5.284808  525.7501 18.62545 526.8465 21.32435 -1.096375      28.31316 
1 1 1 13  19 13 o 471.7910 17.80629 52.58780       3.951777  51.70185       4.422966  56.09394       8.798784  467.5119 20.11183 481.6623 39.17326 -14.15042      44.03442 
1 1 1 13  19 14 o 384.7753 16.93718 34.97855       3.065614  38.16241       4.164277  31.21157       4.529593  400.6664 22.18107 361.2850 26.84442 39.38132       34.82273 
1 1 1 13  19 15 o 249.5475 23.07726 14.90495       2.678310  14.51190       3.477440  15.47810       4.199247  244.5274 30.92293 251.1773 36.61729 -6.649857      47.92758 
1 1 1 13  19 16 o 433.3585 17.11526 44.42057       3.488993  45.73252       4.603959  42.65067       5.347455  438.2769 22.40618 422.0268 27.07921 16.25009       35.14713 
1 1 1 13  19 17 f 893.0332 22.54942 189.6117       9.472667  183.6207       15.48715  193.1926       11.97358  870.3726 37.82656 898.6418 28.32488 -28.26917      47.25619 
1 1 1 13  19 18 o 505.5169 17.02606 60.51207       4.048734  58.86121       5.452546  62.54097       6.044676  497.1117 23.31718 511.9047 25.10236 -14.79303      34.26105 
1 1 1 13  19 19 o 210.3255 30.22385 10.84487       2.904365  7.932816       3.725302  15.35824       4.637798  175.9357 44.87178 247.3551 41.31590 -71.41940      60.99574 
1 1 1 13  19 20 o 648.2843 17.65239 99.67771       5.383172  87.09870       7.562155  112.6005       7.664791  602.7927 26.66910 686.7272 23.72721 -83.93457      35.69624 
1 1 1 13  19 21 o 278.1369 30.84543 18.90381       3.967737  15.77678       4.431572  31.53984       8.908346  251.0473 38.77536 347.2679 56.47406 -96.22060      68.50437 
1 1 1 13  19 22 o 314.3728 24.30278 23.81083       3.566023  19.57279       4.790496  29.07779       5.340443  280.2802 37.25763 344.1562 33.40863 -63.87601      50.04266 
1 1 1 13  19 23 o 318.4634 26.88819 24.61417       3.990349  28.83395       5.031556  17.46136       6.550816  342.9400 31.54356 254.7904 56.16869 88.14960       64.41985 
1 1 1 13  19 24 o 181.2303 38.48867 8.439736       3.179848  2.815275       4.215924  15.86169       4.842968  124.9842 49.07738 248.0358 43.07008 -123.0516      65.29641 
1 1 1 13  19 25 o 199.4981 35.49649 10.12605       3.209058  8.588894       4.543026  11.65682       4.533574  178.1675 51.37706 209.0788 47.21254 -30.91127      69.77554 
1 1 1 13  19 26 o 396.5178 23.47169 38.12878       4.358514  46.13556       7.561805  34.14542       5.333616  426.2126 38.11875 371.1260 30.83050 55.08655       49.02610 
1 1 1 13  19 27 o 157.4996 40.92306 6.630567       3.059472  3.852556       4.853220  8.462632       3.941246  134.1180 52.65871 175.5699 46.85091 -41.45197      70.48367 
1 1 1 13  19 28 o 251.7776 38.31945 16.63690       4.395243  14.66112       5.346011  20.75803       7.720902  227.0604 51.26546 259.5847 63.70478 -32.52431      81.77069 
1 1 1 13  21 0  o 419.1521 24.65946 41.70631       4.840688  0.000000       0.000000  41.70631       4.840688  ?        ?        419.1521 24.65946 0.000000       24.65946 
1 1 1 13  21 1  o 1262.945 15.11358 375.9802       8.978861  429.1991       15.02269  346.4030       11.19936  1347.209 23.70519 1211.331 19.65445 135.8778       30.79340 
1 1 1 13  21 2  o 665.9275 13.97386 104.5005       4.377364  130.5291       10.38163  98.87246       4.827474  741.7705 29.75270 647.5710 15.84759 94.19946       33.71008 
1 1 1 13  21 3  o 505.5720 11.88929 60.20244       2.827536  59.75030       7.878605  60.26929       3.029350  500.1206 33.68541 505.8006 12.73212 -5.679993      36.01130 
1 1 1 13  21 4  o 600.1711 11.50396 84.83505       3.247818  84.42331       8.941052  84.89764       3.485933  595.1689 32.05405 600.3312 12.34408 -5.162292      34.34878 
1 1 1 13  21 5  o 380.2355 12.56691 34.06185       2.247762  0.000000       0.000000  34.06185       2.247762  ?        ?        380.2355 12.56691 0.000000       12.56691 
1 1 1 13  21 6  o 798.2048 12.10288 150.0957       4.544357  155.3805       12.11099  149.2297       4.902571  808.2859 31.85263 795.7892 13.09654 12.49670       34.43994 
1 1 1 13  21 7  f 376.5995 12.37375 33.41702       2.192050  33.94769       7.472652  33.36706       2.292922  373.5408 43.33219 376.2860 12.95394 -2.745209      45.22702 
1 1 1 13  21 9  o 509.1216 39.32489 62.54459       9.344989  62.54459       9.344989  0.000000       0.000000  509.1216 39.32489 ?        ?        0.000000       39.32489 
1 1 1 13  21 10 o 756.1945 14.26075 134.8784       5.072769  154.4293       12.96126  131.3420       5.512504  803.7056 34.28317 745.9888 15.70895 57.71680       37.71083 
1 1 1 13  21 11 o 552.3569 17.77334 72.10198       4.618046  71.49228       9.843646  72.27405       5.229217  543.9169 38.72575 552.6470 20.11497 -8.730164      43.63824 
1 1 1 13  21 12 o 344.9681 15.79994 28.10400       2.563915  29.19446       3.467262  26.78830       3.808571  350.4120 21.13369 335.0060 24.33410 15.40598       32.23013 
1 1 1 13  21 13 o 511.7129 15.02910 61.83448       3.617668  65.84424       5.177871  58.01036       5.056594  527.0643 20.88422 494.5597 21.73552 32.50461       30.14272 
1 1 1 13  21 14 o 303.2635 22.21942 21.95024       3.147662  24.89173       3.513160  9.979193       7.087285  322.8231 23.29112 199.5477 65.41699 123.2754       69.43961 
1 1 1 13  21 15 o 351.0266 16.84278 29.15218       2.781142  25.85510       3.491293  34.87737       4.600619  329.0402 22.69507 381.6214 25.77913 -52.58118      34.34574 
1 1 1 13  21 16 f 313.6474 20.23349 23.44275       2.969335  23.62411       3.594264  23.05292       5.269661  313.9121 24.53575 306.3082 37.34568 7.603882       44.68448 
1 1 1 13  21 17 o 531.1631 15.61806 66.74005       3.902332  63.65293       5.108698  71.06467       6.046549  517.5423 20.98433 546.1202 23.53694 -28.57788      31.53299 
1 1 1 13  21 18 o 275.4695 21.85375 18.16954       2.808591  12.58408       3.523479  27.90264       4.651234  225.7026 34.26353 339.5977 29.40640 -113.8951      45.15226 
1 1 1 13  21 19 o 531.5779 16.53728 66.94684       4.135237  59.39579       5.362622  78.02332       6.494926  499.0641 22.84291 571.5284 24.15834 -72.46426      33.24792 
1 1 1 13  21 20 o 184.9819 33.95797 8.552228       2.845991  9.579978       3.734183  7.127898       4.395992  193.5044 42.21164 166.7904 51.15785 26.71396       66.32457 
1 1 1 13  21 21 o 152.7767 39.36866 5.969889       2.846948  2.983075       3.603197  10.93276       4.644624  122.3560 46.04771 204.2418 48.97621 -81.88581      67.22396 
1 1 1 13  21 22 o 126.2013 46.48731 3.417901       3.634413  3.417901       3.634413  0.000000       0.000000  126.2013 46.48731 ?        ?        0.000000       46.48731 
1 1 1 13  21 23 o 363.8389 20.30201 31.73155       3.460847  29.26184       4.614988  34.90525       5.231545  346.1525 28.59832 377.7271 29.68210 -31.57462      41.21761 
1 1 1 13  21 24 o 229.9359 28.71452 13.06394       3.038126  11.32851       4.298628  14.79603       4.294493  206.8371 45.42384 240.2095 39.37039 -33.37239      60.11117 
1 1 1 13  21 25 o 100.8197 39.92926 1.677480       2.813075  1.269917       4.503922  1.938167       3.602082  114.9332 48.53382 111.1098 44.78384 3.823387       66.03881 
1 1 1 13  21 26 o 186.2227 35.73215 8.992450       3.016276  8.989299       4.756626  8.994569       3.900859  178.5760 52.88098 181.5782 45.70318 -3.002258      69.89405 
1 1 1 13  21 27 o 94.04792 39.15839 0.9832079      2.869126  0.1104637      4.689877  1.505209       3.627050  107.7585 47.49442 106.2431 44.11441 1.515404       64.82130 
1 1 1 13  23 0  o 589.6386 15.18440 82.02212       4.211656  86.92035       8.326509  80.33806       4.882268  604.5012 29.28172 583.2237 17.79579 21.27753       34.26527 
1 1 1 13  23 1  o 311.1094 17.64332 22.93069       2.571411  22.73435       4.523952  23.02440       3.125375  307.2973 31.75398 311.2067 21.48082 -3.909363      38.33720 
1 1 1 13  23 2  o 372.5366 17.25050 32.77044       3.023013  33.02616       6.610647  32.70282       3.399259  369.2060 38.63546 371.4427 19.52312 -2.236694      43.28800 
1 1 1 13  23 3  o 174.5088 22.30420 7.325289       1.789051  8.944710       5.596985  7.140998       1.888106  189.7827 57.62844 171.9624 23.99497 17.82030       62.42432 
1 1 1 13  23 4  o 52.74560 24.72242 -1.575834      1.544312  -6.001784      5.467275  -1.192085      1.609870  96.65833 45.67785 57.03785 26.21234 39.62049       52.66453 
1 1 1 13  23 5  o 262.6929 15.47905 16.34136       1.904314  12.85969       6.155732  16.70983       2.002546  224.4293 57.91837 265.5757 16.10579 -41.14642      60.11600 
1 1 1 13  23 6  o 329.0881 13.09504 25.53561       2.027161  26.69739       6.767560  25.42109       2.124721  329.3747 44.84474 328.3069 13.75791 1.067780       46.90768 
1 1 1 13  23 7  o 556.3496 18.71983 73.18738       4.899131  0.000000       0.000000  73.18738       4.899131  ?        ?        556.3496 18.71983 0.000000       18.71983 
1 1 1 13  23 8  o 482.6011 19.88150 55.12307       4.513431  66.11178       9.348967  51.78360       5.153817  522.8254 38.27960 466.5887 23.55764 56.23672       44.94764 
1 1 1 13  23 9  o 641.0793 16.68143 97.11301       5.030538  100.1486       10.93444  96.29799       5.665748  644.5595 36.20986 637.9690 18.87941 6.590515       40.83609 
1 1 1 13  23 10 o 290.9038 23.52120 20.22499       3.191143  25.70749       8.075196  19.21035       3.473903  317.9644 56.03644 282.8716 26.41272 35.09283       61.94929 
1 1 1 13  23 11 o 550.8964 13.83858 71.63441       3.586170  67.39001       10.13907  72.24131       3.834002  525.5242 41.34832 553.0939 14.73615 -27.56976      43.89576 
1 1 1 13  23 12 o 656.1999 19.68303 102.0448       6.075715  0.000000       0.000000  102.0448       6.075715  ?        ?        656.1999 19.68303 0.000000       19.68303 
1 1 1 13  23 13 o 550.9236 18.23055 71.87499       4.724550  72.17599       10.79790  71.80373       5.254186  542.4183 42.66337 550.2027 20.30081 -7.784363      47.24707 
1 1 1 13  23 14 o 469.5261 14.45513 52.08359       3.192647  55.49056       4.389366  48.25628       4.652264  483.7980 19.28716 450.6354 21.94673 33.16263       29.21735 
1 1 1 13  23 15 o 722.1023 15.09477 123.2686       5.127368  132.9706       6.707718  109.6314       7.952559  748.8552 19.04178 678.0134 24.93442 70.84180       31.37379 
1 1 1 13  23 16 o 548.8852 40.88004 74.01903       10.47944  0.000000       0.000000  74.01903       10.47944  ?        ?        548.8852 40.88004 0.000000       40.88004 
1 1 1 13  23 17 o 221.2009 23.86702 11.80307       2.444099  14.00859       3.218195  8.797241       3.756970  239.8508 29.12069 185.4688 43.76779 54.38202       52.57028 
1 1 1 13  23 18 o 179.2229 30.32803 7.940513       2.465652  9.767948       3.213971  5.326550       3.843887  197.5857 35.90181 147.4159 48.16930 50.16982       60.07679 
1 1 1 13  23 19 o 205.2157 26.96471 10.27914       2.539994  10.03833       3.270755  10.64502       4.031595  200.0313 36.08784 203.6972 43.40304 -3.665848      56.44605 
1 1 1 13  23 20 o 456.0215 22.01018 49.68152       4.721480  45.03568       9.426446  51.23738       5.455086  419.5860 48.66277 461.3427 25.23234 -41.75668      54.81547 
1 1 1 13  23 21 o 311.1500 21.83534 23.26912       3.175702  22.98795       4.422834  23.56836       4.562671  305.9075 31.17108 309.5234 31.78840 -3.615875      44.52122 
1 1 1 13  23 22 o 129.5057 39.36706 4.247790       2.610823  6.145159       3.764097  2.488654       3.624387  153.7220 47.36993 117.0781 45.63673 36.64395       65.77706 
1 1 1 13  23 23 o 223.8526 32.16683 12.55104       3.289883  11.56273       3.717849  16.11772       7.062828  211.9120 38.72335 237.1773 62.44623 -25.26526      73.47809 
1 1 1 13  23 24 f 296.1586 23.13707 21.31523       3.197714  28.18669       5.441278  17.69007       3.952207  334.2357 35.13408 265.5786 32.30081 68.65714       47.72574 
1 1 1 13  23 25 o 203.6167 31.48165 10.51278       2.918088  9.131987       4.690051  11.38492       3.727429  179.9610 52.29098 208.0199 39.53743 -28.05896      65.55574 
1 1 1 13  25 0  o 123.3396 38.52565 3.650738       2.480237  1.360880       5.238945  4.312220       2.815778  127.9347 53.06122 133.2857 40.95364 -5.351021      67.02757 
1 1 1 13  25 1  o 187.3763 26.94433 8.523291       2.306620  9.905884       4.115759  7.890182       2.785109  198.1100 45.16761 178.5173 34.41360 19.59276       56.78387 
1 1 1 13  25 2  o 248.0414 22.13585 14.70317       2.555653  15.52913       5.736280  14.49862       2.854618  247.4774 50.97190 245.7505 25.04356 1.726837       56.79185 
1 1 1 13  25 3  o 500.7196 12.48069 59.12576       2.939697  68.75744       8.052816  57.64486       3.157613  535.0894 32.14182 494.2892 13.58027 40.80020       34.89298 
1 1 1 13  25 4  o 467.0388 13.61938 51.46689       2.992123  0.000000       0.000000  51.46689       2.992123  ?        ?        467.0388 13.61938 0.000000       13.61938 
1 1 1 13  25 5  o 255.5283 16.93851 15.50110       2.024483  18.31153       6.613793  15.21054       2.126559  267.9263 54.33547 252.9616 17.98844 14.96466       57.23571 
1 1 1 13  25 6  o 277.7137 21.57841 18.39774       2.796807  3.888229       6.526326  21.66184       3.095451  154.6544 60.95516 301.4019 21.98438 -146.7474      64.79848 
1 1 1 13  25 7  o 188.0194 35.28975 8.762997       3.006559  2.244947       6.359572  10.63912       3.411928  143.2956 58.84946 207.3882 36.29633 -64.09258      69.14248 
1 1 1 13  25 8  o 328.3485 13.18762 25.44009       2.036906  30.23187       7.340380  25.04033       2.120170  349.1248 45.80094 325.7052 13.83811 23.41962       47.84579 
1 1 1 13  25 9  f 705.6689 12.13335 117.4530       4.027644  103.3294       10.79953  119.7349       4.340822  654.2042 35.22287 712.3505 12.95415 -58.14630      37.52946 
1 1 1 13  25 10 o 289.9367 13.04976 19.83792       1.779816  14.67301       7.355578  20.15913       1.834324  236.2199 64.41841 292.2524 13.34285 -56.03249      65.78574 
1 1 1 13  25 11 o 191.8469 17.54987 8.782073       1.566244  0.000000       0.000000  8.782073       1.566244  ?        ?        191.8469 17.54987 0.000000       17.54987 
1 1 1 13  25 12 o 97.48748 38.97376 1.226940       2.703877  -7.107611      7.275570  2.562529       2.912475  112.3184 52.96086 113.2682 41.63121 -0.9498901     67.36475 
1 1 1 13  25 13 o 98.13992 39.53205 1.161256       2.804931  -0.9833532E-01 7.380859  1.373874       3.032439  139.1855 60.50023 102.9424 41.23155 36.24310       73.21420 
1 1 1 13  25 14 o 410.8446 48.11261 42.30083       9.122271  42.30083       9.122271  0.000000       0.000000  410.8446 48.11261 ?        ?        0.000000       48.11261 
1 1 1 13  25 15 o 85.07207 37.51289 -0.6931483     2.929106  2.106421       7.044175  -1.278405      3.220754  146.4158 61.19303 85.82637 38.49409 60.58943       72.29372 
1 1 1 13  25 16 o 277.3590 19.95215 18.37573       2.585770  20.19917       3.478364  16.12331       3.865927  289.4194 25.82040 256.2865 32.82104 33.13293       41.76020 
1 1 1 13  25 17 o 345.0215 23.01157 28.54319       3.713327  28.54319       3.713327  0.000000       0.000000  345.0215 23.01157 ?        ?        0.000000       23.01157 
1 1 1 13  25 18 o 161.8859 32.05368 6.565859       2.354573  10.96611       3.365008  2.344723       3.295808  209.3026 35.44263 113.7640 43.74654 95.53863       56.30222 
1 1 1 13  25 19 o 71.16922 31.76490 -0.7633411     2.164799  -1.018255      3.003688  -0.4878161     3.122759  83.50884 37.33410 88.74377 38.94481 -5.234932      53.94936 
1 1 1 13  25 20 o 91.68887 35.38741 1.449768       2.162634  1.108556       3.131780  1.760783       2.989997  100.4934 41.28745 104.5639 41.24377 -4.070526      58.35839 
1 1 1 13  25 21 o 117.1239 48.10714 1.787520       4.250397  7.348395       6.207379  -3.121284      5.832095  169.4188 60.99941 107.7685 49.66104 61.65022       78.65842 
1 1 1 13  25 22 o 75.66193 36.62598 -5.866848      4.005853  -4.777051      5.952919  -6.768728      5.415415  102.3189 48.14266 90.20977 43.39828 12.10912       64.81609 
1 1 1 13  27 0  o 778.3630 13.24940 142.9699       4.851183  135.3561       6.935706  150.2626       6.787899  755.8939 19.50565 796.8230 18.10941 -40.92908      26.61618 
1 1 1 13  27 1  o 467.2878 14.96616 51.57430       3.289758  48.86851       5.236520  53.33850       4.228346  452.5840 24.68983 474.6146 18.93913 -22.03058      31.11717 
1 1 1 13  27 2  o 357.3134 18.54370 30.30204       3.106129  45.74911       7.053638  26.58602       3.459627  434.8356 34.77503 333.9607 22.14807 100.8748       41.22911 
1 1 1 13  27 3  o 642.8071 13.57934 97.52172       4.106092  0.000000       0.000000  97.52172       4.106092  ?        ?        642.8071 13.57934 0.000000       13.57934 
1 1 1 13  27 4  o 566.9131 12.66922 75.82044       3.378592  78.21047       9.445478  75.46978       3.617960  568.9075 35.47165 565.4703 13.60143 3.437134       37.98996 
1 1 1 13  27 5  o 256.7570 22.06131 15.76125       2.638665  15.66290       6.897027  15.77811       2.855938  245.1349 60.24129 256.5270 23.94397 -11.39209      64.82536 
1 1 1 13  27 6  o 188.3648 21.48788 8.525845       1.869907  3.861475       6.550892  8.939599       1.951080  154.2404 60.98138 192.8609 21.89408 -38.62048      64.79259 
1 1 1 13  27 7  o 377.4374 13.49077 33.62671       2.395251  36.74198       7.687583  33.29177       2.520728  386.1277 43.05753 375.4731 14.27177 10.65463       45.36115 
1 1 1 13  27 8  o 295.7693 14.70505 20.66521       2.045922  22.72295       7.477499  20.49870       2.127090  297.7036 55.43516 294.1128 15.42839 3.590790       57.54209 
1 1 1 13  27 9  o 199.5786 18.31327 9.511552       1.700113  5.853151       6.602045  9.771381       1.759450  167.1409 62.44247 202.2446 18.70588 -35.10368      65.18414 
1 1 1 13  27 10 o 160.5499 19.72612 6.203095       1.458435  4.824614       6.217030  6.283372       1.500301  157.5699 60.20393 161.5140 20.18782 -3.944061      63.49851 
1 1 1 13  27 11 o 626.4543 11.73482 92.59093       3.458082  75.44591       9.772768  95.04490       3.697287  556.4161 37.55762 634.5893 12.38571 -78.17322      39.54720 
1 1 1 13  27 12 o 378.8619 11.82050 33.87205       2.106619  29.23603       7.647720  34.25270       2.191397  340.0080 49.25016 380.9404 12.22911 -40.93243      50.74574 
1 1 1 13  27 13 o 133.8035 24.00430 4.396432       1.455353  10.02081       6.582672  4.107384       1.492281  196.6486 62.93298 128.9297 25.50856 67.71886       67.90617 
1 1 1 13  27 14 o 133.6342 28.77653 4.450912       1.755457  2.331748       6.009498  4.648611       1.835516  138.8193 57.13174 136.5007 29.45072 2.318542       64.27582 
1 1 1 13  27 15 o 153.2416 51.63270 5.728031       4.408378  1.456599       6.047729  10.57075       6.439471  133.6925 56.33601 199.6328 62.03102 -65.94023      83.79495 
1 1 1 13  27 16 o 87.20601 40.94690 -3.965636      4.268477  -5.148633      6.393420  -3.014269      5.733441  107.8636 50.47569 108.7432 49.78674 -0.8795395     70.89791 
1 1 1 13  27 17 o 186.2676 60.89281 9.182522       6.142473  0.000000       0.000000  9.182522       6.142473  ?        ?        186.2676 60.89281 0.000000       60.89281 
1 1 1 13  27 18 o 196.6387 45.82506 10.14759       4.160319  12.36029       6.012758  8.115339       5.762384  212.3253 58.38359 175.9547 59.03311 36.37061       83.02741 
1 1 1 13  27 19 o 285.8332 36.64604 20.54305       4.813835  15.27943       6.794774  25.84721       6.820882  233.2725 61.16890 314.6866 47.56176 -81.41402      77.48390 
1 1 1 13  27 20 o 140.0313 50.97751 4.640896       4.352049  5.909632       6.197586  3.406659       6.112745  158.2150 60.19104 141.6575 57.88046 16.55756       83.50514 
1 1 1 13  29 0  o 324.3919 18.64159 25.01318       2.832650  25.88353       4.498502  24.44135       3.646335  327.4661 29.52071 319.4409 24.45160 8.025146       38.33214 
1 1 1 13  29 1  o 298.2977 19.63592 21.18778       2.739906  22.47995       4.411333  20.37622       3.495997  304.5421 31.23514 291.2064 25.78788 13.33575       40.50492 
1 1 1 13  29 2  o 623.1360 12.77861 91.64265       3.745725  91.79549       9.445938  91.61412       4.080239  617.0214 32.66063 622.8384 13.92647 -5.817017      35.50582 
1 1 1 13  29 3  o 678.8983 12.71483 108.7760       4.060547  106.2129       10.60177  109.2167       4.395741  663.0684 34.10546 680.0771 13.74057 -17.00873      36.76936 
1 1 1 13  29 4  o 491.3103 13.12125 56.98327       3.032498  60.40429       8.315878  56.45858       3.256760  498.8603 35.67261 488.8954 14.16122 9.964935       38.38066 
1 1 1 13  29 5  o 97.43536 36.51067 1.760082       2.260458  13.07670       6.515138  0.2113874      2.410174  223.1714 60.52967 83.90516 35.47144 139.2662       70.15742 
1 1 1 13  29 6  o 205.4794 22.24463 10.15273       2.115795  10.16944       5.998146  10.15035       2.261139  198.3101 59.53300 205.1163 23.88170 -6.806183      64.14448 
1 1 1 13  29 7  o 243.3485 16.85554 14.08398       1.917599  14.01605       6.329304  14.09084       2.012172  231.0554 58.24907 243.2679 17.70520 -12.21249      60.88045 
1 1 1 13  29 8  o 159.2138 47.86156 6.380351       3.874867  3.281808       5.504858  9.423306       5.455256  141.5363 55.91933 190.9465 56.65139 -49.41020      79.60120 
1 1 1 13  29 9  f 126.9136 46.93821 3.278194       3.712035  1.234840       5.108086  5.564804       5.403590  124.5312 52.08337 157.4593 56.88234 -32.92806      77.12508 
1 1 1 13  29 10 f 380.2779 41.68329 35.87991       7.334257  0.000000       0.000000  35.87991       7.334257  ?        ?        380.2779 41.68329 0.000000       41.68329 
1 1 1 13  29 11 o 92.33826 42.18433 -2.339711      4.086620  -5.291320      5.707189  0.7660523      5.854326  100.4489 47.22339 128.5742 54.85371 -28.12535      72.38078 
1 1 1 13  29 12 o 239.4032 39.13489 14.37957       4.254896  11.53983       5.665667  18.05292       6.443823  208.5682 56.39445 262.4361 53.99882 -53.86787      78.07820 
1 1 1 13  29 13 o 110.3318 49.57230 -1.753270      5.366266  -1.753270      5.366266  0.000000       0.000000  110.3318 49.57230 ?        ?        0.000000       49.57230 
1 1 1 13  29 14 o 302.6245 33.04395 22.53490       4.627529  18.71879       6.335371  26.89952       6.775395  266.8683 52.33696 324.9183 45.58361 -58.05002      69.40477 
1 1 1 13  29 15 o 107.5076 44.92371 0.9716433      3.795487  -2.088288      5.232363  4.369798       5.513960  106.6920 48.34759 146.5992 56.52619 -39.90714      74.38212 
1 1 1 13  29 16 o 105.3544 48.14184 -2.544590      5.326272  0.000000       0.000000  -2.544590      5.326272  ?        ?        105.3544 48.14184 0.000000       48.14184 
1 1 1 13  31 0  o 511.4934 19.82183 62.15188       4.769282  0.000000       0.000000  62.15188       4.769282  ?        ?        511.4934 19.82183 0.000000       19.82183 
1 1 1 13  31 1  o 217.7294 27.29486 11.52719       2.734112  10.26954       3.366162  13.96552       4.687066  202.7013 36.65191 234.6140 44.08825 -31.91269      57.33355 
1 1 1 13  31 2  o 75.83479 36.79974 -6.631986      4.106461  0.000000       0.000000  -6.631986      4.106461  ?        ?        75.83479 36.79974 0.000000       36.79974 
1 1 1 13  31 3  o 113.8952 44.06250 2.222936       3.359102  3.189656       5.005285  1.430737       4.531018  136.4739 53.51053 119.7971 49.48811 16.67684       72.88655 
1 1 1 13  31 4  o 346.8560 25.93967 28.94103       4.201725  27.48217       5.902307  30.43995       5.982786  333.6217 38.30409 351.9767 36.67289 -18.35498      53.02927 
1 1 1 13  31 6  o 251.8416 35.34879 15.68566       4.072331  6.944115       5.494849  26.33770       6.065658  168.4111 57.64079 325.3535 40.50999 -156.9423      70.45226 
1 1 1 13  31 7  o 104.1526 43.57746 0.7591552      3.577881  7.630797       5.236989  -5.255649      4.899617  173.3615 56.20176 90.80049 43.00864 82.56099       70.76991 
1 1 1 13  31 8  o 486.3970 23.29623 56.51173       5.330229  50.71344       7.482628  62.48514       7.594787  455.0883 35.22781 507.1050 32.00234 -52.01675      47.59358 
1 1 1 13  31 9  o 184.5687 54.79176 8.935791       5.101859  0.000000       0.000000  8.935791       5.101859  ?        ?        184.5687 54.79176 0.000000       54.79176 
1 1 1 13  31 10 o 202.6300 41.40985 10.49614       3.813791  10.81748       5.577880  10.21403       5.226300  201.2674 56.56546 196.1292 54.62441 5.138153       78.63509 
1 1 1 13  31 11 o 288.5047 31.00291 20.40427       4.141498  18.82878       5.911134  21.92331       5.804254  269.4844 48.40959 293.8224 43.29187 -24.33792      64.94362 
1 1 1 14  0  0  o 916.5207 16.98172 197.9711       7.315716  197.9711       7.315716  197.9711       7.315716  916.5207 16.98172 916.5207 16.98172 0.000000       0.000000 
1 1 1 14  0  1  o 54.17759 35.77076 -0.5247370     2.356220  -0.5247370     2.356220  -0.5247370     2.356220  54.17759 35.77076 54.17759 35.77076 0.000000       0.000000 
1 1 1 14  0  2  o 98.66166 46.84341 3.381303       2.474774  3.381303       2.474774  3.381303       2.474774  98.66166 46.84341 98.66166 46.84341 0.000000       0.000000 
1 1 1 14  0  3  o 853.2678 17.45318 171.6676       6.998725  171.6676       6.998725  171.6676       6.998725  853.2678 17.45318 853.2678 17.45318 0.000000       0.000000 
1 1 1 14  0  4  o 288.5250 24.29479 20.04247       3.243570  20.04247       3.243570  20.04247       3.243570  288.5250 24.29479 288.5250 24.29479 0.000000       0.000000 
1 1 1 14  0  5  o 242.8245 28.65605 14.48759       3.153511  14.48759       3.153511  14.48759       3.153511  242.8245 28.65605 242.8245 28.65605 0.000000       0.000000 
1 1 1 14  0  6  o 161.2767 49.53509 7.675545       3.286021  7.675545       3.286021  7.675545       3.286021  161.2767 49.53509 161.2767 49.53509 0.000000       0.000000 
1 1 1 14  0  7  o 178.8247 47.58070 9.000348       3.458280  9.000348       3.458280  9.000348       3.458280  178.8247 47.58070 178.8247 47.58070 0.000000       0.000000 
1 1 1 14  0  8  o 1083.904 29.34329 277.7943       14.93650  277.7943       14.93650  277.7943       14.93650  1083.904 29.34329 1083.904 29.34329 0.000000       0.000000 
1 1 1 14  0  9  o 866.8733 19.84832 177.2242       8.084147  177.2242       8.084147  177.2242       8.084147  866.8733 19.84832 866.8733 19.84832 0.000000       0.000000 
1 1 1 14  0  10 o 983.2862 20.54680 227.9311       9.494350  227.9311       9.494350  227.9311       9.494350  983.2862 20.54680 983.2862 20.54680 0.000000       0.000000 
1 1 1 14  0  11 f 1250.052 22.45076 368.2860       13.19206  368.2860       13.19206  368.2860       13.19206  1250.052 22.45076 1250.052 22.45076 0.000000       0.000000 
1 1 1 14  0  12 o 93.80036 55.66007 2.278562       4.269457  2.278562       4.269457  2.278562       4.269457  93.80036 55.66007 93.80036 55.66007 0.000000       0.000000 
1 1 1 14  0  13 f 316.2404 48.28467 25.21106       6.685775  25.21106       6.685775  25.21106       6.685775  316.2404 48.28467 316.2404 48.28467 0.000000       0.000000 
1 1 1 14  0  14 f 1074.428 22.56508 272.1912       11.39334  272.1912       11.39334  272.1912       11.39334  1074.428 22.56508 1074.428 22.56508 0.000000       0.000000 
1 1 1 14  0  15 o 68.25483 46.45336 -2.594596      4.559916  -2.594596      4.559916  -2.594596      4.559916  68.25483 46.45336 68.25483 46.45336 0.000000       0.000000 
1 1 1 14  0  16 o 312.0542 37.64114 23.96959       5.312206  23.96959       5.312206  23.96959       5.312206  312.0542 37.64114 312.0542 37.64114 0.000000       0.000000 
1 1 1 14  0  17 o 146.4632 68.35793 7.468553       5.248466  7.468553       5.248466  7.468553       5.248466  146.4632 68.35793 146.4632 68.35793 0.000000       0.000000 
1 1 1 14  0  18 o 75.74473 50.66326 -1.742193      4.990465  -1.742193      4.990465  -1.742193      4.990465  75.74473 50.66326 75.74473 50.66326 0.000000       0.000000 
1 1 1 14  0  19 o 390.3226 34.53152 36.84837       6.226144  36.84837       6.226144  36.84837       6.226144  390.3226 34.53152 390.3226 34.53152 0.000000       0.000000 
1 1 1 14  0  20 o 396.0068 49.56047 39.03092       8.840810  39.03092       8.840810  39.03092       8.840810  396.0068 49.56047 396.0068 49.56047 0.000000       0.000000 
1 1 1 14  0  21 o 749.2139 39.00972 134.4233       13.66317  134.4233       13.66317  134.4233       13.66317  749.2139 39.00972 749.2139 39.00972 0.000000       0.000000 
1 1 1 14  0  22 o 628.2229 28.07199 93.98164       8.258055  93.98164       8.258055  93.98164       8.258055  628.2229 28.07199 628.2229 28.07199 0.000000       0.000000 
1 1 1 14  0  23 f 848.4669 25.63839 170.9041       10.21167  170.9041       10.21167  170.9041       10.21167  848.4669 25.63839 848.4669 25.63839 0.000000       0.000000 
1 1 1 14  0  24 f 300.2476 45.04199 23.04424       5.939509  23.04424       5.939509  23.04424       5.939509  300.2476 45.04199 300.2476 45.04199 0.000000       0.000000 
1 1 1 14  0  25 o 118.3951 66.11566 4.910996       5.497040  4.910996       5.497040  4.910996       5.497040  118.3951 66.11566 118.3951 66.11566 0.000000       0.000000 
1 1 1 14  0  26 o 334.3024 40.53123 28.11381       6.124464  28.11381       6.124464  28.11381       6.124464  334.3024 40.53123 334.3024 40.53123 0.000000       0.000000 
1 1 1 14  0  27 o 108.7136 69.73885 1.580856       8.089692  1.580856       8.089692  1.580856       8.089692  108.7136 69.73885 108.7136 69.73885 0.000000       0.000000 
1 1 1 14  0  28 o 119.0178 65.98833 5.230315       5.432090  5.230315       5.432090  5.230315       5.432090  119.0178 65.98833 119.0178 65.98833 0.000000       0.000000 
1 1 1 14  0  29 f 90.00975 57.41386 1.124260       5.388473  1.124260       5.388473  1.124260       5.388473  90.00975 57.41386 90.00975 57.41386 0.000000       0.000000 
1 1 1 14  0  30 o 173.4245 69.19272 10.65736       5.464907  10.65736       5.464907  10.65736       5.464907  173.4245 69.19272 173.4245 69.19272 0.000000       0.000000 
1 1 1 14  0  31 o 73.58208 49.92255 -1.891967      5.183311  -1.891967      5.183311  -1.891967      5.183311  73.58208 49.92255 73.58208 49.92255 0.000000       0.000000 
1 1 1 14  0  32 o 49.23785 35.68346 -8.299146      4.460358  -8.299146      4.460358  -8.299146      4.460358  49.23785 35.68346 49.23785 35.68346 0.000000       0.000000 
1 1 1 14  0  33 o 120.4726 69.70330 6.111773       6.417802  6.111773       6.417802  6.111773       6.417802  120.4726 69.70330 120.4726 69.70330 0.000000       0.000000 
1 1 1 14  0  34 o 115.6373 68.52916 5.781808       6.457267  5.781808       6.457267  5.781808       6.457267  115.6373 68.52916 115.6373 68.52916 0.000000       0.000000 
1 1 1 14  2  0  o 942.6772 12.50123 209.2785       5.543513  222.4138       11.62532  205.4128       6.306716  969.8432 25.48204 933.7383 14.35849 36.10492       29.24894 
1 1 1 14  2  1  o 191.5344 20.75425 8.760221       1.840006  7.919109       2.565859  9.650678       2.640051  180.1977 31.41213 199.8369 28.92589 -19.63913      42.70163 
1 1 1 14  2  2  o 434.3390 12.60971 44.43246       2.576340  44.40934       3.635183  44.45579       3.651864  433.9265 17.80905 434.1484 17.88163 -0.2219543     25.23717 
1 1 1 14  2  3  o 514.1022 12.23986 62.25085       2.960023  59.64243       4.129851  65.00641       4.244721  502.8529 17.45919 525.0013 17.18777 -22.14847      24.49986 
1 1 1 14  2  4  o 127.0012 32.31450 3.979306       1.935239  3.505736       2.723727  4.462108       2.750147  123.5607 40.55617 135.6634 40.21767 -12.10267      57.11623 
1 1 1 14  2  5  o 480.6694 13.48430 54.44107       3.048907  56.10447       4.357324  52.84541       4.267685  487.5186 19.00025 473.1311 19.17527 14.38742       26.99446 
1 1 1 14  2  6  o 392.5147 15.17962 36.31787       2.802761  35.44326       3.950751  37.20405       3.976782  386.6945 21.80813 396.2668 21.41361 -9.572357      30.56365 
1 1 1 14  2  7  o 515.0455 16.28539 62.53534       3.945600  58.50481       4.751114  71.49228       7.082629  497.8570 20.28717 549.5469 27.39810 -51.68988      34.09142 
1 1 1 14  2  8  o 330.1090 18.24487 25.76937       2.822141  26.83417       4.078065  24.79078       3.909490  335.9671 26.00666 322.8510 25.96188 13.11603       36.74732 
1 1 1 14  2  9  o 440.2456 18.80417 45.67697       3.894202  57.84781       7.516781  41.21202       4.552814  493.3990 32.56974 417.3090 23.28563 76.09003       40.03759 
1 1 1 14  2  10 o 458.8575 16.16170 49.58359       3.488463  43.51283       4.764913  56.59613       5.121196  428.8918 23.70977 489.9602 22.21986 -61.06836      32.49423 
1 1 1 14  2  11 o 332.4323 20.35058 26.13610       3.167037  25.11277       4.397381  27.23896       4.565059  324.8805 29.08172 338.4729 28.95023 -13.59241      41.03489 
1 1 1 14  2  12 o 1806.712 22.52529 769.3860       19.14382  766.9442       32.66111  770.6639       23.62812  1800.138 38.57055 1807.205 27.79409 -7.067383      47.54154 
1 1 1 14  2  13 o 551.1395 16.68467 71.52965       4.325620  62.93215       5.887384  81.61521       6.376558  516.6125 24.22636 588.3922 23.03828 -71.77972      33.43171 
1 1 1 14  2  14 o 1309.284 19.79104 403.9266       12.18911  414.2319       15.36741  386.4447       20.01533  1325.212 24.65165 1278.502 33.28067 46.71033       41.41626 
1 1 1 14  2  15 o 490.7050 18.47930 56.73345       4.265553  60.21602       6.129121  53.46235       5.940122  504.4577 25.91631 475.1568 26.68398 29.30090       37.19798 
1 1 1 14  2  16 o 1349.398 20.09005 429.2564       12.75235  429.8481       15.59404  428.0619       22.15702  1349.561 24.56388 1344.374 35.03660 5.187134       42.78957 
1 1 1 14  2  17 o 1215.142 17.15891 347.9486       9.808126  343.0447       13.97135  352.7138       13.77236  1205.339 24.64108 1222.339 23.95231 -17.00000      34.36417 
1 1 1 14  2  18 f 590.3896 18.18288 82.18294       5.049760  83.25532       7.173459  81.12949       7.109845  593.5049 25.69419 585.8671 25.79834 7.637878       36.41079 
1 1 1 14  2  19 o 1026.221 17.21916 248.3439       8.312317  251.1821       11.81883  245.5658       11.69296  1030.721 24.37609 1019.130 24.39078 11.59143       34.48338 
1 1 1 14  2  20 o 654.9008 20.83759 101.3490       6.419367  99.79192       10.65058  102.2374       8.044833  646.1528 35.17282 656.9064 26.03420 -10.75360      43.75964 
1 1 1 14  2  21 o 587.8706 22.32901 81.82679       6.174767  85.16177       7.724007  75.92153       10.27817  598.7210 27.42514 561.1207 39.18549 37.60028       47.82928 
1 1 1 14  2  22 o 735.7400 18.42375 128.0308       6.376345  126.0162       8.941348  130.1156       9.095658  727.8853 26.11384 739.6207 26.14302 -11.73541      36.95119 
1 1 1 14  2  23 o 104.1168 45.84820 -0.9048958     4.360741  -1.834708      5.294415  1.056481       7.689548  110.6021 49.49788 147.7095 62.93811 -37.10747      80.07026 
1 1 1 14  2  24 o 597.5634 23.09570 85.06671       6.492087  92.06303       11.92542  82.11997       7.739439  611.7012 41.69290 585.3360 28.10832 26.36517       50.28296 
1 1 1 14  2  25 o 258.0731 33.81105 16.42539       4.005864  16.80516       5.822702  16.08411       5.519725  254.4440 50.43011 249.4964 48.77908 4.947586       70.16120 
1 1 1 14  2  26 o 217.5421 46.10854 12.30968       4.571839  17.11950       8.167990  10.11532       5.517030  246.4767 68.15992 194.1887 56.79720 52.28806       88.72258 
1 1 1 14  2  27 o 306.8178 36.12910 23.52388       5.114497  18.81373       6.248490  33.08561       8.902798  265.9218 51.81441 351.8015 55.64841 -85.87970      76.03604 
1 1 1 14  2  28 o 106.1440 45.24280 0.6022673      3.975962  4.088755       5.657691  -2.799665      5.588663  143.7566 56.72399 106.4821 48.89939 37.27448       74.89166 
1 1 1 14  2  29 o 130.7806 50.62137 3.510350       4.435354  -0.9217733     5.209170  15.19322       8.457412  110.1978 49.22299 224.3120 71.28624 -114.1142      86.62927 
1 1 1 14  2  30 o 75.03321 36.14445 -5.063765      3.787128  -4.430964      5.503184  -5.633043      5.219670  98.05302 46.18165 90.92795 43.44149 7.125076       63.40274 
1 1 1 14  2  31 o 98.42326 42.77304 0.2209860      3.687675  -1.526144      5.155332  2.051639       5.277120  104.8855 47.70798 124.3737 52.52839 -19.48826      70.95972 
1 1 1 14  2  32 o 197.7019 47.06750 11.01427       4.314266  19.81867       7.153371  5.980914       5.408664  254.3726 60.63880 149.0209 56.34084 105.3517       82.77291 
1 1 1 14  2  33 o 147.6915 52.58361 6.332695       4.600479  8.846612       6.366179  3.585018       6.655584  166.7521 61.50981 135.6623 58.19760 31.08984       84.67831 
1 1 1 14  2  34 o 70.46961 34.62137 -6.495386      3.975212  -3.388823      5.414506  -10.12782      5.854880  95.25900 45.14711 81.66193 40.46929 13.59706       60.63023 
1 1 1 14  4  0  o 265.7629 20.17739 16.77274       2.503654  19.39358       4.319866  15.44713       3.072254  283.8113 32.97164 254.1317 26.06884 29.67961       42.03229 
1 1 1 14  4  1  f 386.8774 18.70152 35.32366       3.403450  31.95601       4.875096  38.52557       4.753614  366.0658 28.53640 402.6965 25.22162 -36.63077      38.08486 
1 1 1 14  4  2  o 236.8407 20.64063 13.34820       2.276592  13.61173       2.782976  12.81510       3.958204  238.5179 25.18468 228.8518 38.10854 9.666046       45.67854 
1 1 1 14  4  3  o 415.9288 13.18586 40.76001       2.579863  42.31180       3.721155  39.32379       3.579899  423.4011 18.68343 408.1803 18.64444 15.22079       26.39480 
1 1 1 14  4  4  o 581.5773 12.31168 79.67317       3.368171  74.68951       4.618423  85.33527       4.922756  562.6650 17.44916 601.4341 17.40007 -38.76904      24.64215 
1 1 1 14  4  5  o 1093.807 13.80455 281.9054       7.102840  284.5449       10.13101  279.3538       9.961010  1097.908 19.61632 1087.878 19.46498 10.03064       27.63486 
1 1 1 14  4  6  o 878.5195 15.05573 181.8804       6.221894  182.3093       7.684749  181.0642       10.60084  879.1082 18.58310 874.9113 25.75770 4.196899       31.76147 
1 1 1 14  4  7  o 265.9027 24.16447 16.83653       2.989523  13.19126       3.549985  25.72533       5.543488  233.6008 33.24388 327.1361 36.65349 -93.53531      49.48368 
1 1 1 14  4  8  o 779.0900 15.92986 142.9751       5.838063  152.6754       11.05216  139.2210       6.875570  803.6726 29.23471 768.5507 19.01809 35.12189       34.87630 
1 1 1 14  4  9  o 1038.209 14.39868 253.7762       7.031967  255.3047       10.03703  252.3027       9.854874  1040.787 20.50096 1034.676 20.24777 6.110840       28.81426 
1 1 1 14  4  10 o 1587.224 20.60331 593.6458       15.38312  599.2866       27.30435  591.0226       18.61940  1591.581 36.46984 1583.015 25.00410 8.565918       44.21827 
1 1 1 14  4  11 o 723.4432 14.84928 123.2105       5.053346  120.5996       7.243386  125.6862       7.053421  715.3753 21.52476 730.3694 20.52995 -14.99408      29.74549 
1 1 1 14  4  12 o 320.4152 21.38262 24.30060       3.204365  23.29329       4.614714  25.23852       4.452928  312.4366 31.84397 325.6769 29.38269 -13.24033      43.32875 
1 1 1 14  4  13 o 730.6785 15.18582 125.7002       5.219561  120.0306       7.263099  131.7556       7.506043  713.6343 21.63600 747.6984 21.34103 -34.06409      30.39006 
1 1 1 14  4  14 o 1057.330 15.76506 263.2566       7.841072  258.4803       10.88746  268.4036       11.30206  1047.091 22.10410 1066.953 22.51867 -19.86267      31.55443 
1 1 1 14  4  15 o 839.5536 18.03787 166.0667       7.123658  174.2412       8.879973  151.3080       11.93175  859.6129 21.96036 799.9454 31.70842 59.66748       38.57047 
1 1 1 14  4  16 o 861.1366 15.89788 174.6746       6.439922  174.9372       9.159613  174.4179       9.056119  861.1285 22.61204 859.8750 22.38915 1.253540       31.82104 
1 1 1 14  4  17 o 698.8207 16.62642 115.0729       5.465548  115.7174       7.686506  114.4138       7.773126  700.1483 23.33832 696.1500 23.73688 3.998352       33.28839 
1 1 1 14  4  18 o 824.4775 19.46708 160.3513       7.550032  173.2462       14.23539  155.3044       8.905799  854.0953 35.43184 810.8777 23.34792 43.21759       42.43277 
1 1 1 14  4  19 o 1197.380 19.91544 338.4558       11.21738  351.0702       19.61685  332.3271       13.67344  1215.100 34.32006 1185.366 24.52202 29.73413       42.18052 
1 1 1 14  4  20 o 73.99315 35.65268 -5.591558      3.690697  -6.362115      5.067415  -4.721063      5.386011  90.61040 43.15461 100.5259 46.80445 -9.915520      63.66300 
1 1 1 14  4  21 o 880.7999 17.71179 183.2785       7.338530  187.4137       10.37475  179.1378       10.38175  888.7974 24.81451 868.7723 25.40360 20.02509       35.51201 
1 1 1 14  4  22 o 608.2313 27.17514 88.12160       7.775168  88.12160       7.775168  0.000000       0.000000  608.2313 27.17514 ?        ?        0.000000       27.17514 
1 1 1 14  4  23 o 194.0809 43.33204 9.540967       3.855957  14.86232       5.450176  4.207998       5.456122  241.3241 49.66690 148.3080 56.46293 93.01613       75.19883 
1 1 1 14  4  24 o 341.2242 27.14783 28.05486       4.321533  24.11290       6.118749  31.97837       6.104417  310.5601 43.04105 361.1464 36.43062 -50.58630      56.38903 
1 1 1 14  4  25 o 186.0270 51.34344 9.064577       4.640000  3.382878       8.604862  11.39395       5.509651  162.1280 67.68555 207.1047 55.45073 -44.97672      87.49924 
1 1 1 14  4  26 o 463.7170 23.06194 51.50842       5.030582  51.15108       7.078575  51.87307       7.150607  456.6471 33.17976 459.8159 33.28408 -3.168762      46.99709 
1 1 1 14  4  27 o 111.1848 45.54242 1.534461       3.796250  -2.580532      5.122648  6.547416       5.654013  102.7658 47.05376 162.5222 58.24856 -59.75644      74.87958 
1 1 1 14  4  28 o 197.6052 56.90223 10.80069       5.576216  10.80069       5.576216  0.000000       0.000000  197.6052 56.90223 ?        ?        0.000000       56.90223 
1 1 1 14  4  29 o 148.2044 48.11148 5.731294       3.836998  4.013950       5.406768  7.473725       5.446115  140.5592 55.45519 167.1251 57.37926 -26.56590      79.79761 
1 1 1 14  4  30 o 107.3978 44.80292 1.300693       3.766175  3.658393       5.317492  -1.072472      5.334903  136.1989 54.58250 109.7179 49.34965 26.48101       73.58422 
1 1 1 14  4  31 o 224.5730 54.41475 14.52253       5.687985  0.000000       0.000000  14.52253       5.687985  ?        ?        224.5730 54.41475 0.000000       54.41475 
1 1 1 14  4  32 o 156.2554 49.11313 6.947721       4.023715  1.184899       6.780925  10.07963       4.998919  127.9393 56.71193 184.1184 54.12531 -56.17909      78.39510 
1 1 1 14  4  33 o 126.4558 50.28187 3.793726       4.477314  -5.157550      6.275555  13.07372       6.389745  99.00902 47.39205 198.6972 61.79939 -99.68814      77.87920 
1 1 1 14  4  34 o 124.6673 54.51612 2.733948       6.071320  2.733948       6.071320  0.000000       0.000000  124.6673 54.51612 ?        ?        0.000000       54.51612 
1 1 1 14  6  0  o 611.0734 16.82823 88.07622       4.837277  86.17718       6.977500  89.83354       6.712102  603.4813 24.57914 616.3604 23.15019 -12.87903      33.76485 
1 1 1 14  6  1  o 77.57447 33.95775 -0.5269740     2.361044  -2.387039      3.930536  0.5230951      2.953225  91.36633 41.59667 95.58647 39.75761 -4.220146      57.54086 
1 1 1 14  6  2  o 799.6712 17.68583 150.8523       6.652826  148.5137       9.647654  152.9727       9.186325  792.1068 25.89218 804.2167 24.28284 -12.10999      35.49734 
1 1 1 14  6  3  o 977.2003 14.87434 225.0443       6.837393  226.5875       8.352029  221.9085       11.90578  980.0757 18.11603 968.3671 26.13657 11.70856       31.80111 
1 1 1 14  6  4  o 851.0981 14.62767 170.6774       5.856308  172.8451       7.158345  166.2901       10.18377  856.1210 17.77494 838.5032 25.81871 17.61774       31.34573 
1 1 1 14  6  5  o 450.3636 15.21927 47.78753       3.224232  44.42035       3.946305  54.54816       5.591787  433.9781 19.33097 479.8438 24.85840 -45.86569      31.49010 
1 1 1 14  6  6  o 1397.415 15.76778 460.0139       10.36491  468.8371       14.91622  451.7758       14.41310  1409.611 22.49522 1383.793 22.14201 25.81750       31.56428 
1 1 1 14  6  7  o 914.7330 13.50391 196.9921       5.810628  201.2919       8.392501  193.0331       8.052950  924.1954 19.30449 905.0731 18.91481 19.12225       27.02653 
1 1 1 14  6  8  o 1198.834 14.94599 338.3849       8.428548  334.7579       11.82669  342.1282       12.01508  1191.774 21.09599 1204.810 21.20014 -13.03577      29.90797 
1 1 1 14  6  9  o 157.9509 34.71634 6.127713       2.509092  6.505733       3.644313  5.787029       3.459666  163.2925 45.66183 154.6636 44.90286 8.628937       64.04116 
1 1 1 14  6  10 o 800.3243 14.54732 150.7811       5.476692  167.7099       8.425311  138.3941       7.207027  843.6454 21.23033 766.4515 19.98951 77.19385       29.16003 
1 1 1 14  6  11 o 1619.108 21.07938 617.7044       16.05472  646.2545       28.80316  604.8362       19.33726  1652.969 37.04300 1601.452 25.66918 51.51758       45.06762 
1 1 1 14  6  12 o 440.6122 17.85533 45.72449       3.700784  41.81567       5.175921  49.81285       5.293454  420.2035 26.31812 458.9514 24.60870 -38.74792      36.03098 
1 1 1 14  6  13 o 1101.301 15.72744 285.5944       8.147671  281.2707       11.36866  290.1603       11.68285  1092.320 22.12535 1109.417 22.38642 -17.09729      31.47511 
1 1 1 14  6  14 o 362.3890 23.58154 31.10488       3.998026  29.74901       4.980688  33.56124       6.703876  353.5532 30.23873 374.3939 38.61977 -20.84070      49.04964 
1 1 1 14  6  15 o 379.9965 24.78086 34.22237       4.405364  35.25812       5.202919  31.59929       8.279910  385.2072 28.92450 360.7087 50.15494 24.49844       57.89771 
1 1 1 14  6  16 o 1230.756 16.87373 356.9087       9.769046  370.3033       14.14839  344.7046       13.50509  1252.494 24.01385 1208.474 23.75697 44.02087       33.77956 
1 1 1 14  6  17 o 776.2726 16.65279 142.0140       6.080939  137.1808       8.487342  147.1120       8.716737  762.1765 23.67265 789.3094 23.47672 -27.13287      33.33992 
1 1 1 14  6  18 o 291.0940 31.15543 20.31631       4.199917  21.63496       7.005855  19.57654       5.247373  295.8084 52.25904 283.8236 40.44707 11.98477       66.08308 
1 1 1 14  6  19 o 476.1121 25.20543 53.80865       5.625009  39.59572       10.29066  59.86475       6.717350  400.3990 56.18262 501.6239 28.58594 -101.2249      63.03684 
1 1 1 14  6  20 o 738.6276 17.91221 128.8352       6.223632  128.8994       8.830266  128.7718       8.773101  737.3055 25.45992 736.9763 25.30639 0.3292236      35.89737 
1 1 1 14  6  21 f 1005.966 17.91764 239.1889       8.478784  248.6170       12.05720  229.9658       11.92550  1023.209 25.05030 983.8070 25.76900 39.40179       35.93826 
1 1 1 14  6  22 o 413.7721 23.42116 40.80286       4.539973  42.33340       6.364083  39.21683       6.478426  418.9724 32.54640 402.5285 34.54880 16.44391       47.46460 
1 1 1 14  6  23 o 345.0998 26.57786 28.61009       4.281333  35.37501       6.205323  22.46424       5.914576  381.1979 34.99622 300.2491 43.11372 80.94882       55.52953 
1 1 1 14  6  24 o 334.7395 27.14589 27.03319       4.237637  37.43238       6.192774  17.87588       5.811250  391.6760 33.94730 264.0942 48.56765 127.5818       59.25568 
1 1 1 14  6  25 o 97.73428 43.42337 -1.013345      3.997850  6.085018       6.243484  -5.946395      5.204820  163.7600 60.81293 91.87163 43.74992 71.88840       74.91508 
1 1 1 14  6  26 o 139.8811 48.34395 4.702413       3.869090  0.7669718      5.270984  9.300170       5.697286  121.4476 51.93707 186.3786 58.41827 -64.93101      78.16747 
1 1 1 14  6  27 o 242.1977 37.49609 14.84392       4.133893  19.45279       5.777436  10.00888       5.917496  273.1619 46.63614 191.2493 59.47001 81.91261       75.57521 
1 1 1 14  6  28 o 356.1184 27.92986 31.01275       4.641262  31.45587       6.502309  30.55248       6.626935  351.8338 39.99905 345.6839 41.58795 6.149841       57.70166 
1 1 1 14  6  29 o 285.4452 39.54351 20.92320       5.167048  20.17869       6.049643  22.93104       9.934806  274.6254 48.60828 271.0537 75.24936 3.571686       89.58365 
1 1 1 14  6  30 f 178.6350 46.53782 8.715476       3.949749  7.851466       5.400663  9.709015       5.791356  168.0941 57.14653 183.6733 59.05548 -15.57924      82.17831 
1 1 1 14  6  31 o 156.4276 48.53396 6.796406       3.943720  6.575506       6.318574  6.937376       5.047594  157.4818 60.56865 157.8180 55.17950 -0.3361969     81.93497 
1 1 1 14  6  32 o 145.1827 48.94938 5.893404       3.962110  6.266351       6.718034  5.694496       4.906214  153.1643 61.36172 144.7564 53.87813 8.407898       81.65852 
1 1 1 14  6  33 f 103.1893 45.09438 0.7197733      4.148062  -9.640310      5.794260  11.61118       5.940983  83.06593 40.99912 188.1276 59.74277 -105.0617      72.45776 
1 1 1 14  6  34 o 93.65796 42.76944 -0.8035326     4.195280  2.519025       5.947768  -4.093342      5.918384  122.3350 53.71530 96.66756 46.20423 25.66748       70.85312 
1 1 1 14  8  0  o 311.0847 16.82594 22.87424       2.453067  21.61118       5.235839  23.22946       2.776673  299.2315 38.05830 313.2935 18.92990 -14.06204      42.50618 
1 1 1 14  8  1  o 1435.303 22.39083 486.2349       15.11761  513.6743       23.44490  466.7063       19.77865  1471.942 33.86013 1404.253 29.94209 67.68872       45.19997 
1 1 1 14  8  2  o 552.7059 15.47563 71.96329       4.023573  74.31630       7.245564  70.91415       4.838120  560.7216 27.46981 548.4602 18.75263 12.26135       33.26036 
1 1 1 14  8  3  o 1304.393 21.55030 401.3006       13.22304  423.6028       19.93192  383.7693       17.67181  1337.986 31.66855 1274.033 29.48702 63.95251       43.27103 
1 1 1 14  8  4  o 864.0494 17.59289 175.8922       7.150643  175.8922       7.150643  0.000000       0.000000  864.0494 17.59289 ?        ?        0.000000       17.59289 
1 1 1 14  8  5  o 730.6740 14.74800 125.7044       5.069046  132.3640       6.186473  112.0987       8.842538  749.6132 17.54432 689.1097 27.27842 60.50348       32.43325 
1 1 1 14  8  6  o 893.5106 13.12008 187.9208       5.514493  189.5629       7.810578  186.2888       7.786819  897.0622 18.50936 889.2737 18.61467 7.788513       26.25076 
1 1 1 14  8  7  o 571.1307 13.47260 76.77882       3.619564  82.34942       5.212424  71.59107       5.030116  591.2762 18.74045 551.2731 19.39733 40.00311       26.97148 
1 1 1 14  8  8  o 895.9677 13.69375 188.9518       5.771440  183.7428       7.997175  194.6137       8.337558  883.2071 19.24885 908.9406 19.49998 -25.73352      27.40013 
1 1 1 14  8  9  o 839.9583 13.96149 166.0698       5.516438  168.0238       7.841172  164.1550       7.762268  844.5591 19.73702 834.7774 19.76736 9.781677       27.93382 
1 1 1 14  8  10 o 1428.794 18.96573 480.8521       12.74701  470.2735       21.08251  486.9478       16.00358  1411.137 31.76026 1437.238 23.67114 -26.10120      39.61107 
1 1 1 14  8  11 o 1152.881 18.35209 313.0649       9.952659  296.7004       17.53977  320.8362       12.08699  1120.498 33.27693 1166.732 22.02307 -46.23364      39.90451 
1 1 1 14  8  12 o 408.5378 18.80814 39.31952       3.614494  38.94242       5.155250  39.68414       5.069169  405.3126 27.19660 409.2563 26.47310 -3.943634      37.95366 
1 1 1 14  8  13 o 1015.780 15.50548 242.9725       7.408908  249.2036       10.56907  236.9522       10.38881  1028.117 21.85368 1002.507 22.02973 25.61005       31.03051 
1 1 1 14  8  14 o 629.3022 16.21014 93.27811       4.798610  96.98868       6.798544  89.59423       6.774042  641.2689 22.53753 616.2753 23.36705 24.99359       32.46474 
1 1 1 14  8  15 o 858.6758 15.74872 173.6809       6.361269  178.7135       9.108424  168.8889       8.888012  870.3757 22.24678 846.1039 22.33118 24.27173       31.52143 
1 1 1 14  8  16 f 829.1035 18.84707 162.0764       7.350585  163.1899       8.834920  159.5719       13.24937  831.5036 22.58755 820.3513 34.33414 11.15228       41.09782 
1 1 1 14  8  17 o 381.6899 21.56544 34.50199       3.856177  37.70128       5.680982  31.76840       5.251250  397.7275 30.59950 364.8500 30.88701 32.87747       43.47801 
1 1 1 14  8  18 o 645.3226 17.62562 98.23895       5.350453  105.1338       7.885171  92.35551       7.283912  666.5609 25.14792 624.7953 24.78321 41.76556       35.30758 
1 1 1 14  8  19 o 787.4828 17.23780 146.3607       6.385461  144.4486       9.026119  148.2764       9.034699  780.9312 24.57078 791.2774 24.27256 -10.34625      34.53811 
1 1 1 14  8  20 o 588.6601 19.07520 81.92177       5.282055  89.24177       7.760292  75.60320       7.209941  612.8423 26.91907 564.0176 27.17502 48.82471       38.25072 
1 1 1 14  8  21 o 523.9495 20.34033 65.02365       5.013219  68.39816       7.171911  61.79943       7.010375  534.8126 28.61153 508.0303 29.46125 26.78235       41.06805 
1 1 1 14  8  22 o 253.8732 33.97149 15.76823       3.955237  13.07852       5.505782  18.63657       5.685654  225.3059 52.86020 272.4134 46.00800 -47.10753      70.07806 
1 1 1 14  8  23 o 198.5772 71.12286 9.622474       8.428214  0.000000       0.000000  9.622474       8.428214  ?        ?        198.5772 71.12286 0.000000       71.12286 
1 1 1 14  8  24 o 353.3605 28.36853 30.21844       4.675710  29.52141       7.641181  30.63565       5.911676  340.0065 49.20614 352.7835 36.13304 -12.77701      61.04786 
1 1 1 14  8  25 o 692.6097 19.08382 114.1773       6.217606  103.9147       8.440782  126.3517       9.193395  656.6872 27.32466 724.3366 26.98151 -67.64941      38.40103 
1 1 1 14  8  26 o 142.9509 47.93487 5.056894       3.799371  5.922216       5.259862  4.112809       5.494029  156.6347 56.17701 144.2258 56.19646 12.40883       79.46005 
1 1 1 14  8  27 o 194.3399 48.66343 10.07776       4.438804  10.11898       5.391976  9.991083       7.818698  192.5123 56.10489 192.1577 68.53684 0.3546295      88.57233 
1 1 1 14  8  28 o 139.2881 48.20019 4.795294       3.846702  3.405340       5.211452  6.459032       5.701654  135.7738 54.16552 160.5147 58.36187 -24.74091      79.62418 
1 1 1 14  8  29 o 227.4205 38.77835 13.37013       3.999675  8.388071       5.264267  20.17331       6.151621  174.1263 56.33735 273.4099 49.65974 -99.28358      75.09985 
1 1 1 14  8  30 o 308.1696 34.45937 24.11609       4.909839  20.46968       7.801668  26.50738       6.317857  261.1444 64.00644 316.6233 43.57320 -55.47891      77.43028 
1 1 1 14  8  31 o 143.7432 48.46778 5.610140       3.884531  2.688466       6.251807  7.447437       4.957689  133.2316 56.75914 161.5065 54.75350 -28.27490      78.86410 
1 1 1 14  8  32 o 211.6299 46.78571 12.72292       4.533761  9.809752       6.268426  15.91855       6.565283  175.9264 61.49256 224.1246 60.75129 -48.19817      86.44105 
1 1 1 14  8  33 o 124.8749 48.89846 3.912755       4.175493  8.130203       6.030228  0.2821344E-01  5.787336  159.2264 59.63944 112.2907 50.86919 46.93570       78.38710 
1 1 1 14  10 0  o 705.4989 13.03072 117.1561       4.324482  123.4542       8.794762  115.1478       4.966340  723.4006 25.84496 699.3340 15.09671 24.06659       29.93114 
1 1 1 14  10 1  o 1073.884 15.19250 271.5176       7.674606  299.3460       15.27109  262.1142       8.877061  1126.079 28.82916 1054.916 17.88883 71.16272       33.92831 
1 1 1 14  10 2  o 723.0040 14.24106 123.0546       4.843423  127.1106       9.244076  121.5198       5.686440  734.0153 26.77251 718.3574 16.82793 15.65796       31.62193 
1 1 1 14  10 3  o 404.3964 23.77880 38.68726       4.503510  28.15993       5.798111  54.69679       7.150176  343.1614 36.47784 480.1813 31.83554 -137.0199      48.41627 
1 1 1 14  10 4  o 1275.799 31.59380 384.3639       18.96066  384.3639       18.96066  0.000000       0.000000  1275.799 31.59380 ?        ?        0.000000       31.59380 
1 1 1 14  10 5  o 615.3303 14.68516 89.12991       4.250660  89.37190       5.030241  88.52557       7.949130  616.0617 17.35782 612.5859 27.58565 3.475769       32.59237 
1 1 1 14  10 6  o 667.2411 15.20858 104.8078       4.773542  98.04897       5.450750  127.0511       9.888250  645.2542 17.95793 733.8050 28.64636 -88.55084      33.80978 
1 1 1 14  10 7  o 1169.338 16.54359 321.9428       9.099954  330.8561       15.19100  316.9543       11.36468  1184.341 27.26719 1159.884 20.82924 24.45630       34.31263 
1 1 1 14  10 8  o 623.3436 15.51945 91.47626       4.550646  90.43554       5.648647  93.40072       7.681238  619.6225 19.37974 629.3284 25.94685 -9.705872      32.38538 
1 1 1 14  10 9  o 1403.525 18.50372 463.9754       12.21655  447.9786       19.61935  474.1056       15.61265  1377.484 30.27813 1418.163 23.40352 -40.67908      38.26865 
1 1 1 14  10 10 o 348.9357 18.52252 28.76069       3.029399  26.96175       4.177796  30.75536       4.399210  337.0167 26.56824 360.1313 26.14665 -23.11462      37.27625 
1 1 1 14  10 11 o 395.2967 18.43687 36.81067       3.428307  35.61854       4.890059  37.96298       4.807707  387.5624 26.99122 400.3244 25.66555 -12.76193      37.24575 
1 1 1 14  10 12 o 1262.357 19.26274 375.5041       11.43851  367.7170       20.60438  378.9731       13.75234  1246.496 35.13979 1267.662 23.06236 -21.16614      42.03186 
1 1 1 14  10 13 o 733.6194 17.05084 126.7871       5.884181  127.0598       7.371093  126.3080       9.769693  734.0757 21.34626 731.1966 28.40387 2.879089       35.53087 
1 1 1 14  10 14 o 495.5984 17.35970 57.87580       4.047076  56.81299       5.694503  58.96048       5.752802  489.9392 24.78902 499.7686 24.47041 -9.829376      34.83241 
1 1 1 14  10 15 o 1354.762 17.25931 432.5696       10.99907  434.4931       15.54781  430.6425       15.56226  1356.392 24.36770 1350.339 24.49970 6.053589       34.55460 
1 1 1 14  10 16 o 626.0098 16.73937 92.37834       4.929349  83.48872       6.727962  102.6805       7.242775  594.4219 24.06132 659.2993 23.35356 -64.87738      33.53112 
1 1 1 14  10 17 o 207.2403 48.22184 10.72343       4.612601  12.34840       5.736044  7.749703       7.759629  221.7039 55.21077 190.2994 68.23454 31.40457       87.77346 
1 1 1 14  10 18 o 528.4801 18.76009 65.95253       4.663725  77.88049       6.894185  55.88881       6.332555  573.3063 25.56388 484.5406 27.90094 88.76569       37.84144 
1 1 1 14  10 19 o 833.6164 17.04243 164.0927       6.682934  158.3474       9.253257  170.3570       9.662191  817.2905 24.06849 847.6719 24.23140 -30.38141      34.15337 
1 1 1 14  10 20 o 657.0258 20.46753 102.2245       6.325826  98.10838       8.012136  109.0369       10.30749  642.1872 26.52268 675.1120 32.45696 -32.92480      41.91547 
1 1 1 14  10 21 o 261.4128 30.47314 16.56847       3.676931  19.88203       5.345654  13.59304       5.065574  283.4605 41.30420 231.4157 48.10322 52.04482       63.40313 
1 1 1 14  10 22 o 328.1575 26.34925 25.88396       4.033130  28.36065       5.670041  23.34756       5.737979  340.5747 35.93445 306.9725 40.74317 33.60217       54.32578 
1 1 1 14  10 23 f 273.5934 32.18295 18.31559       4.062739  15.46023       5.790082  21.08481       5.702091  243.7602 52.07693 289.6390 43.17005 -45.87877      67.64362 
1 1 1 14  10 24 o 720.5205 22.22027 123.9532       7.531215  120.0099       8.940163  133.5910       13.97649  706.5181 26.90003 734.3466 40.61801 -27.82855      48.71791 
1 1 1 14  10 25 o 82.56377 38.49982 -3.043641      3.666382  -4.537951      5.111326  -1.459900      5.262053  95.34544 44.78115 109.9900 49.27645 -14.64460      66.58469 
1 1 1 14  10 26 o 308.5852 33.98131 23.61138       4.850939  24.85163       6.004708  21.28121       8.230578  312.6874 41.87540 275.4562 64.63261 37.23120       77.01250 
1 1 1 14  10 27 o 314.7050 37.08481 24.89687       5.384556  25.82937       10.13052  24.52970       6.356858  295.1494 73.29919 307.6974 45.27197 -12.54797      86.15290 
1 1 1 14  10 28 o 114.9968 46.16589 2.123958       3.811255  7.974473       5.381510  -3.763314      5.398388  171.6488 57.03916 100.1785 46.71465 71.47028       73.72736 
1 1 1 14  10 29 o 120.4156 51.75042 1.092071       5.279685  -2.493460      7.057808  5.648038       7.955791  119.6948 54.96151 161.4862 66.01297 -41.79144      85.89808 
1 1 1 14  10 30 o 256.1464 44.55792 17.64164       5.173899  17.28003       6.799108  18.13912       7.974689  241.3248 60.11656 240.4319 67.65742 0.8929138      90.50706 
1 1 1 14  10 31 o 126.5255 46.32554 3.996973       3.601390  2.766647       5.819960  4.760413       4.584554  130.1536 55.07730 137.1613 51.86784 -7.007782      75.65569 
1 1 1 14  10 32 o 115.7353 46.53220 2.773491       3.878322  3.204519       5.333482  2.289834       5.649720  127.3279 53.23370 123.9489 53.40320 3.379021       75.40377 
1 1 1 14  10 33 o 157.0782 58.58865 8.029133       5.807670  0.000000       0.000000  8.029133       5.807670  ?        ?        157.0782 58.58865 0.000000       58.58865 
1 1 1 14  12 0  o 350.7248 13.47314 28.95196       2.222822  31.30202       5.764303  28.54146       2.409149  362.3969 34.21873 348.2060 14.70815 14.19089       37.24583 
1 1 1 14  12 1  o 376.8618 34.29353 33.82878       6.012924  33.82878       6.012924  0.000000       0.000000  376.8618 34.29353 ?        ?        0.000000       34.29353 
1 1 1 14  12 2  o 770.2352 16.66089 139.6839       6.036579  135.2259       9.661608  142.5387       7.731430  757.1827 27.12561 777.8153 21.13071 -20.63263      34.38467 
1 1 1 14  12 3  o 1281.575 21.00650 386.9541       12.66388  396.5518       19.23253  379.6076       16.82653  1296.001 31.54726 1268.494 28.19920 27.50708       42.31341 
1 1 1 14  12 4  o 530.0826 17.49235 66.16658       4.361753  63.58502       7.556687  67.45638       5.341361  518.0503 31.15402 535.0755 21.22108 -17.02521      37.69493 
1 1 1 14  12 5  o 599.7120 20.99924 84.73772       5.924008  84.89893       8.756278  84.60167       8.044528  598.8539 31.19134 598.7905 28.55988 0.6341553E-01  42.29145 
1 1 1 14  12 6  o 855.9756 15.29141 172.4931       6.157130  170.7151       7.214793  177.2592       11.81222  851.3968 18.01452 866.6627 28.97425 -15.26587      34.11788 
1 1 1 14  12 7  o 1389.443 18.62848 454.7271       12.17552  464.6782       14.99807  435.4935       20.85109  1404.070 22.70792 1357.705 32.64780 46.36462       39.76844 
1 1 1 14  12 8  o 641.6036 14.66309 96.91267       4.425492  91.34959       6.577188  101.5148       5.982215  622.5237 22.46028 656.4315 19.37329 -33.90784      29.66122 
1 1 1 14  12 9  o 947.6737 14.02991 211.4219       6.254364  213.6491       8.848347  209.1981       8.841670  952.2289 19.75384 942.2411 19.94816 9.987732       28.07389 
1 1 1 14  12 10 o 753.7216 14.04268 133.7460       4.978865  136.0388       7.056882  131.4735       7.025578  759.7966 19.74450 746.9205 19.99578 12.87610       28.10118 
1 1 1 14  12 11 o 347.9217 18.94048 28.60904       3.088183  30.24810       4.280956  26.83066       4.459198  357.0842 25.65698 335.8401 28.49526 21.24411       38.34398 
1 1 1 14  12 12 o 296.8562 24.73091 20.94224       3.422045  21.81269       4.330352  19.49465       5.584377  302.1548 30.90144 283.2335 43.28867 18.92133       53.18653 
1 1 1 14  12 13 o 304.9507 29.21725 22.18981       4.139895  35.85018       9.153076  18.67659       4.641824  383.8036 52.03973 278.3323 36.31892 105.4714       63.46021 
1 1 1 14  12 14 o 474.7325 18.00608 53.13118       4.021031  62.04201       5.854973  45.17645       5.531958  512.5114 24.28578 436.2862 27.08878 76.22525       36.38133 
1 1 1 14  12 15 o 659.2102 20.17967 102.5543       6.257594  101.8728       8.504079  103.3591       9.240918  656.0604 27.55587 660.4875 29.74276 -4.427063      40.54575 
1 1 1 14  12 16 o 410.6307 21.71963 39.95247       4.180479  42.24139       6.273984  38.12476       5.606367  420.5089 31.95660 399.7453 30.03412 20.76364       43.85513 
1 1 1 14  12 17 o 560.8803 17.73006 74.26115       4.677887  78.81726       6.742411  70.03254       6.495556  576.8197 24.84882 543.6382 25.40019 33.18146       35.53356 
1 1 1 14  12 18 o 690.7446 17.41691 112.6886       5.659238  120.3838       8.030266  105.0957       7.976744  712.6224 23.95527 665.4952 25.48071 47.12726       34.97316 
1 1 1 14  12 19 o 449.0548 22.77904 47.94423       4.796007  47.84824       6.116055  48.09751       7.728640  447.0544 29.24433 445.8302 37.19176 1.224243       47.31234 
1 1 1 14  12 20 o 536.4927 19.19344 68.16705       4.843796  64.57570       6.723477  72.04244       6.984290  519.5551 27.60925 549.6752 27.01138 -30.12018      38.62494 
1 1 1 14  12 21 o 148.8852 51.83691 5.092401       4.452336  2.356718       9.101756  5.952943       5.104798  163.6267 69.03950 159.7313 55.51139 3.895447       88.58875 
1 1 1 14  12 22 o 284.3257 29.18339 19.61617       3.847854  20.79755       5.353001  18.35313       5.534934  288.9344 40.49728 269.2641 45.30709 19.67026       60.76810 
1 1 1 14  12 23 o 350.8635 25.12457 29.62969       4.119286  25.12305       5.664639  34.68743       6.001001  317.9373 38.67223 376.2354 34.28374 -58.29803      51.68091 
1 1 1 14  12 24 o 496.9807 34.98985 60.66923       8.127748  61.74198       11.76829  59.69085       11.23874  489.2899 51.92369 482.3375 50.27201 6.952423       72.27271 
1 1 1 14  12 25 o 184.2835 50.83239 9.009883       4.549644  10.15341       5.344186  5.998811       8.671981  194.2548 55.63852 173.2896 69.61320 20.96518       89.11590 
1 1 1 14  12 26 o 159.2530 46.88427 6.634655       3.748416  6.288351       5.092769  7.044038       5.537197  158.5552 55.42652 166.1876 57.81126 -7.632385      80.08896 
1 1 1 14  12 27 o 411.8884 24.93904 41.11841       4.809242  39.40893       6.694157  42.94188       6.913748  396.7706 36.26742 414.6018 35.80090 -17.83127      50.96106 
1 1 1 14  12 28 o 345.2119 41.68122 30.74918       6.631552  0.000000       0.000000  30.74918       6.631552  ?        ?        345.2119 41.68122 0.000000       41.68122 
1 1 1 14  12 29 o 261.7483 34.61819 17.44329       4.157845  13.88526       6.441170  19.98492       5.443978  216.9225 60.72208 274.7139 43.58270 -57.79144      74.74371 
1 1 1 14  12 30 o 151.5724 47.66899 6.342405       3.789947  6.911416       6.082769  5.981346       4.845415  158.9272 59.82581 149.1750 53.86827 9.752182       80.50414 
1 1 1 14  12 31 o 116.8834 50.74162 1.327586       5.178725  1.327586       5.178725  0.000000       0.000000  116.8834 50.74162 ?        ?        0.000000       50.74162 
1 1 1 14  12 32 o 177.9373 48.13609 9.376831       4.126603  7.184899       5.709236  11.77467       5.971383  153.4834 57.91963 189.0601 59.88018 -35.57664      83.30858 
1 1 1 14  14 0  o 1052.306 14.73648 260.6889       7.294662  293.5197       15.43048  251.2400       8.278099  1115.076 29.41750 1032.899 17.03740 82.17688       33.99503 
1 1 1 14  14 1  o 1162.119 18.82166 318.1182       10.28911  325.8026       16.59296  313.3175       13.11497  1174.719 30.02760 1152.757 24.18577 21.96143       38.55656 
1 1 1 14  14 2  o 391.7375 16.38146 36.13448       3.018679  29.17955       6.381782  38.13912       3.426212  348.8747 39.58776 402.4068 18.10005 -53.53204      43.52934 
1 1 1 14  14 3  o 1094.066 13.51942 281.7507       6.957785  285.9097       15.55768  280.7108       7.779090  1100.423 30.05494 1091.937 15.14474 8.486084       33.65505 
1 1 1 14  14 4  o 515.4163 13.39877 62.53070       3.248572  76.66469       8.289960  59.96653       3.530974  568.8935 31.09568 504.6923 14.87300 64.20120       34.46952 
1 1 1 14  14 5  o 604.7617 14.04752 86.09708       3.996255  84.57195       8.825504  86.49044       4.482075  597.5059 31.51131 606.0745 15.72113 -8.568665      35.21529 
1 1 1 14  14 6  o 533.6628 18.25658 67.08678       4.583062  56.53984       7.867859  72.50339       5.638419  487.7620 34.51378 554.6187 21.61193 -66.85669      40.72194 
1 1 1 14  14 7  o 2066.357 29.31217 1008.396       28.49198  1069.857       41.56601  953.9240       39.13159  2123.992 41.60218 2005.662 41.47635 118.3307       58.74546 
1 1 1 14  14 8  o 824.5236 15.76670 160.0990       6.115237  165.8404       7.343979  147.1165       11.04344  838.9715 18.60865 789.1247 29.75017 49.84680       35.09066 
1 1 1 14  14 9  o 865.6953 13.73655 176.4445       5.593867  178.6713       7.808782  174.0972       8.017179  870.7339 19.06463 859.4475 19.83046 11.28644       27.50832 
1 1 1 14  14 10 o 430.4648 16.03115 43.64735       3.246173  45.49606       4.429399  41.50231       4.771194  439.2303 21.43795 418.6496 24.33237 20.58072       32.42915 
1 1 1 14  14 11 o 806.0526 15.79563 153.0549       5.989210  158.2021       7.527267  144.1736       9.887555  819.1544 19.53450 781.1533 26.90812 38.00110       33.25122 
1 1 1 14  14 12 o 1209.419 15.75220 344.6245       8.961635  332.8456       12.01904  359.3714       13.44840  1187.681 21.51299 1233.781 23.17199 -46.09961      31.61882 
1 1 1 14  14 13 o 1065.318 15.43203 267.4334       7.733416  264.3838       10.62467  270.8696       11.27795  1058.317 21.34176 1071.027 22.38516 -12.70996      30.92840 
1 1 1 14  14 14 o 266.5838 33.11153 17.13361       4.062812  31.12366       9.528172  14.02474       4.491604  353.7625 59.35962 239.0413 41.44696 114.7213       72.39762 
1 1 1 14  14 15 o 638.8144 17.37972 96.28986       5.222599  104.5482       8.052864  90.29490       6.861176  664.3725 25.76733 617.7735 23.61022 46.59900       34.94850 
1 1 1 14  14 16 o 743.5515 16.11511 130.4519       5.636554  137.2558       8.121529  124.1291       7.829095  761.5057 22.67228 724.1138 22.98452 37.39197       32.28499 
1 1 1 14  14 17 o 712.0539 16.30839 119.7052       5.462523  124.5232       7.749511  114.9472       7.701067  724.9507 22.72461 696.3388 23.51046 28.61188       32.69785 
1 1 1 14  14 18 o 1083.806 24.22047 278.9505       12.34819  278.9505       12.34819  0.000000       0.000000  1083.806 24.22047 ?        ?        0.000000       24.22047 
1 1 1 14  14 19 o 64.15016 31.44436 -6.242274      3.220160  -4.366427      4.424544  -8.354920      4.695514  88.68253 41.65574 79.10457 38.60159 9.577965       56.79158 
1 1 1 14  14 20 o 254.3047 31.44018 15.75914       3.680933  19.14435       5.141460  12.19951       5.272255  277.7435 40.54762 217.2671 52.23081 60.47644       66.12236 
1 1 1 14  14 21 o 230.0319 34.68628 13.07865       3.636683  18.52530       4.971708  6.810653       5.333414  272.7149 39.93857 167.2020 56.78988 105.5130       69.42751 
1 1 1 14  14 22 o 615.7507 26.70200 90.97540       7.734246  0.000000       0.000000  90.97540       7.734246  ?        ?        615.7507 26.70200 0.000000       26.70200 
1 1 1 14  14 23 o 323.0042 29.05804 25.37058       4.367877  26.20476       5.366625  23.73365       7.517728  325.7080 35.60707 300.1136 55.28862 25.59442       65.76241 
1 1 1 14  14 24 o 87.86138 39.59308 -1.409858      3.452841  -4.672201      4.696508  2.427706       5.093756  89.82939 42.41566 130.3774 53.00411 -40.54803      67.88612 
1 1 1 14  14 25 o 136.7504 46.71774 4.529574       3.609538  3.247494       4.971119  5.959303       5.249568  134.4738 53.13603 156.8728 56.13687 -22.39909      77.29674 
1 1 1 14  14 26 o 123.1071 45.86688 3.231591       3.557435  -2.421597      4.806156  10.08189       5.290610  99.60009 45.59427 192.0996 55.45750 -92.49950      71.79395 
1 1 1 14  14 27 o 244.2913 36.38757 15.15926       4.053867  12.84958       5.677783  17.56108       5.789930  214.7621 55.72290 255.6046 49.94515 -40.84256      74.83021 
1 1 1 14  14 28 o 211.3151 39.77232 11.67311       3.808414  11.78359       5.734620  11.58593       5.093944  202.8067 57.48016 203.5719 52.76113 -0.7652435     78.02375 
1 1 1 14  14 29 o 187.2985 43.48971 9.516955       3.758153  7.491083       5.937074  10.87140       4.854529  164.1636 59.57502 195.5883 51.90361 -31.42470      79.01372 
1 1 1 14  14 30 o 146.6033 47.99577 5.963744       3.815566  12.81510       5.418046  -0.7773485     5.374269  207.9882 54.66153 108.9256 49.21167 99.06263       73.55047 
1 1 1 14  14 31 o 119.9141 45.82249 3.460913       3.601858  -1.430440      5.009714  8.695006       5.182260  101.0795 46.37368 167.9919 55.98040 -66.91246      72.69335 
1 1 1 14  16 0  o 363.0695 15.37883 31.04057       2.626530  32.76347       4.487354  30.14269       3.239416  371.7248 25.82277 357.1357 19.35480 14.58917       32.27110 
1 1 1 14  16 1  o 845.6359 16.31380 168.4143       6.489449  165.9334       10.92171  169.7681       8.068114  838.3453 27.69480 848.7291 20.20848 -10.38379      34.28388 
1 1 1 14  16 2  o 340.1404 14.55109 27.24039       2.328214  24.51249       5.956783  27.73226       2.529419  319.0169 40.61547 343.1687 15.66909 -24.15176      43.53318 
1 1 1 14  16 3  o 553.3468 11.32327 72.06339       2.947397  85.58266       8.582576  70.25581       3.138255  601.0515 30.45490 546.3342 12.21126 54.71729       32.81182 
1 1 1 14  16 4  o 535.1461 12.30621 67.40975       3.097891  76.78360       8.432751  65.94733       3.330789  569.0342 31.62851 529.2719 13.37824 39.76233       34.34151 
1 1 1 14  16 5  o 877.2224 13.19075 181.1591       5.443127  176.8431       12.36461  182.1966       6.062126  864.9902 30.38784 879.6357 14.65051 -14.64557      33.73512 
1 1 1 14  16 6  o 970.7015 14.15087 221.8664       6.461570  211.0285       14.73679  224.4459       7.189523  944.3494 33.17424 976.2069 15.65629 -31.85754      36.68310 
1 1 1 14  16 7  o 909.1430 14.41296 194.6384       6.163888  201.7242       13.89679  192.9030       6.877414  923.3562 31.99455 904.9408 16.15607 18.41541       35.84229 
1 1 1 14  16 8  o 352.5966 16.27061 29.28929       2.698678  32.60713       3.558904  24.80040       4.139596  371.2952 20.45532 322.8046 27.52441 48.49063       34.29305 
1 1 1 14  16 9  o 866.8494 15.86961 177.0354       6.471117  175.0643       7.478739  182.9073       12.90844  861.7549 18.44911 878.9821 31.21940 -17.22723      36.26321 
1 1 1 14  16 10 o 833.5707 15.77194 163.7267       6.184392  167.5990       7.508584  155.5589       10.90513  843.0302 18.93414 810.8184 28.59156 32.21173       34.29255 
1 1 1 14  16 11 o 442.3699 15.81420 46.12128       3.290805  44.94166       4.291290  47.80528       5.127316  436.3419 20.90700 449.0906 24.36210 -12.74872      32.10318 
1 1 1 14  16 12 o 201.5140 34.26759 9.915166       3.132021  9.265107       3.459574  12.86861       7.374133  193.7065 39.31059 226.6964 65.48115 -32.98991      76.37476 
1 1 1 14  16 13 o 673.5801 14.95289 106.9633       4.737877  102.2953       6.274844  113.1539       7.226151  658.0739 20.27024 691.8235 22.20457 -33.74969      30.06536 
1 1 1 14  16 14 f 302.2234 23.67223 21.75631       3.338499  22.77051       4.663628  20.69029       4.781270  307.5177 32.74283 292.3615 35.49377 15.15625       48.28976 
1 1 1 14  16 15 o 264.5242 34.09607 16.97814       4.143904  29.70571       9.095756  13.64448       4.655070  343.4250 58.39425 234.2915 43.84946 109.1335       73.02509 
1 1 1 14  16 16 o 303.5004 23.13647 21.96641       3.278246  17.89399       4.292852  27.66385       5.077609  271.3303 34.40711 338.8042 32.24876 -67.47394      47.15752 
1 1 1 14  16 17 o 483.0787 17.80684 55.19087       4.046450  51.48905       5.420871  59.84905       6.080925  464.7392 24.88684 500.8751 25.89755 -36.13586      35.91710 
1 1 1 14  16 18 o 273.2574 26.79537 17.97478       3.399986  21.91143       4.726297  13.75253       4.894738  299.9936 34.09768 233.2411 46.24607 66.75250       57.45738 
1 1 1 14  16 19 o 249.0802 36.28774 15.30593       4.126834  13.58496       4.674351  21.38823       8.787574  231.7824 44.48953 282.6161 67.10159 -50.83369      80.51051 
1 1 1 14  16 20 o 253.6940 28.60383 15.63147       3.353949  16.44722       4.546517  14.65752       4.967836  257.0757 38.80459 239.9634 45.67877 17.11229       59.93619 
1 1 1 14  16 21 o 216.0399 36.03856 11.64303       3.533418  10.63615       5.121974  12.55731       4.880764  201.2219 53.27394 220.2035 48.43547 -18.98157      72.00075 
1 1 1 14  16 22 o 258.5361 29.97993 16.34164       3.578365  18.74204       4.958331  13.73252       5.169410  273.4611 39.70584 229.6111 49.33134 43.85005       63.32563 
1 1 1 14  16 23 o 223.8537 45.06795 12.93525       4.581503  4.708681       8.973473  15.83577       5.328310  169.5856 69.80587 247.1664 47.55441 -77.58080      84.46468 
1 1 1 14  16 24 o 503.8511 22.32608 60.76661       5.291564  53.58447       6.341631  77.22949       9.601230  469.6122 28.84692 558.7553 36.73357 -89.14307      46.70653 
1 1 1 14  16 25 o 277.6190 29.68634 18.94733       3.816722  21.30781       5.195087  16.17908       5.625943  290.2544 39.03909 246.7869 50.17176 43.46751       63.57087 
1 1 1 14  16 26 o 141.7450 49.36649 4.967526       4.038228  2.096495       4.648697  13.79608       8.151867  122.5317 50.31746 216.4539 70.11385 -93.92223      86.30062 
1 1 1 14  16 27 o 234.0804 35.74696 13.97315       3.811337  8.070750       5.863965  18.29042       5.015121  171.7249 59.50648 265.0625 41.59090 -93.33762      72.60045 
1 1 1 14  16 28 o 373.1132 24.96987 34.08238       4.357247  34.89893       7.127597  33.59513       5.505864  364.7194 42.33191 365.6415 32.34479 -0.9220886     53.27454 
1 1 1 14  16 29 o 120.0586 51.28268 1.690844       5.128096  0.000000       0.000000  1.690844       5.128096  ?        ?        120.0586 51.28268 0.000000       51.28268 
1 1 1 14  16 30 o 100.5287 43.04292 0.8968610      3.628127  2.384661       5.311131  -0.4048752     4.967938  123.3561 52.42777 105.9667 47.64606 17.38944       70.84362 
1 1 1 14  18 0  o 717.7733 14.15023 121.3290       4.777714  124.8662       6.822555  117.9251       6.692732  727.7076 19.93062 707.1756 20.11902 20.53198       28.31969 
1 1 1 14  18 1  o 423.6894 14.78289 42.27991       2.946294  46.75982       7.000358  41.31553       3.247974  443.0112 33.84819 418.7589 16.48843 24.25235       37.65060 
1 1 1 14  18 2  o 561.7229 13.42817 74.29886       3.548200  80.20215       8.557926  73.07342       3.899124  581.2887 31.41395 556.9984 14.88140 24.29034       34.76050 
1 1 1 14  18 3  o 533.8618 11.55365 67.09240       2.901464  73.18669       8.444078  66.27654       3.089581  554.9924 32.48581 530.5719 12.37901 24.42047       34.76446 
1 1 1 14  18 4  o 210.5303 16.97330 10.51240       1.666649  13.53151       6.040500  10.26363       1.733957  232.8889 55.85753 207.9082 17.90415 24.98070       58.65681 
1 1 1 14  18 5  o 1048.087 16.66534 258.8660       8.216390  285.7907       16.48707  249.9696       9.477090  1098.417 31.90854 1029.543 19.56866 68.87378       37.43110 
1 1 1 14  18 6  o 632.3352 13.94950 94.17922       4.149304  0.000000       0.000000  94.17922       4.149304  ?        ?        632.3352 13.94950 0.000000       13.94950 
1 1 1 14  18 7  f 879.4712 13.74861 182.1908       5.687869  177.2890       13.20371  183.3077       6.302642  864.6336 32.46345 882.0185 15.19062 -17.38489      35.84175 
1 1 1 14  18 8  o 326.5949 20.64437 25.27772       3.155293  28.29073       7.593141  24.64885       3.468985  340.1381 48.85939 322.1891 23.04081 17.94901       54.01962 
1 1 1 14  18 9  o 542.7379 18.43343 69.49905       4.706147  65.45779       9.326833  70.87941       5.450941  522.7012 38.19699 547.8301 21.15224 -25.12891      43.66265 
1 1 1 14  18 10 o 793.8268 15.96471 148.5959       5.961509  150.2690       6.879130  143.5494       11.94716  797.9580 18.32670 777.0547 32.68464 20.90326       37.47203 
1 1 1 14  18 11 o 299.9138 21.05090 21.36322       2.951048  20.17436       3.256096  26.83116       6.983019  290.9705 24.00341 330.9122 46.11338 -39.94177      51.98661 
1 1 1 14  18 12 o 802.5806 14.10277 151.8715       5.324298  151.9713       7.273181  151.7563       7.815416  801.9956 19.27894 801.1420 20.73831 0.8535767      28.31528 
1 1 1 14  18 13 o 642.4196 14.47955 97.34510       4.375655  93.99231       5.845059  101.6194       6.599648  630.4952 19.70778 655.2670 21.41081 -24.77179      29.10016 
1 1 1 14  18 14 o 837.2932 14.96291 165.4483       5.893360  162.5689       7.926382  169.0078       8.812860  828.7927 20.33105 844.5469 22.18318 -15.75415      30.09061 
1 1 1 14  18 15 o 857.5794 14.86699 173.6207       5.997450  171.5669       8.145270  176.0527       8.863529  851.1160 20.34452 861.7082 21.86639 -10.59222      29.86701 
1 1 1 14  18 16 o 236.9465 37.01782 13.84092       3.991052  24.49168       9.072399  11.28517       4.444175  305.8587 65.05760 211.0831 46.05299 94.77565       79.70803 
1 1 1 14  18 17 o 409.2422 18.76252 39.68212       3.611944  37.49171       4.846504  42.41867       5.417115  395.5868 26.19280 420.4880 27.53917 -24.90128      38.00616 
1 1 1 14  18 18 o 227.6125 28.68399 12.60104       3.002975  6.058961       3.903471  22.08702       4.700394  155.9129 48.27108 300.7430 33.81149 -144.8302      58.93483 
1 1 1 14  18 19 o 153.8043 39.95593 6.000162       2.916905  2.693918       3.811047  10.67633       4.532335  122.4084 47.04872 203.3854 48.12391 -80.97702      67.30150 
1 1 1 14  18 20 o 115.2789 45.89350 1.960270       3.734081  2.728003       4.248287  -0.6477408     7.830030  126.3371 49.36369 139.2185 61.36390 -12.88138      78.75469 
1 1 1 14  18 21 o 120.1503 42.42762 3.217631       2.989121  2.835776       3.941362  3.734613       4.586006  124.2546 47.82404 136.7679 51.83818 -12.51335      70.52897 
1 1 1 14  18 22 o 303.6352 25.72375 22.28437       3.639605  29.28239       5.017003  14.50979       5.288043  346.3202 31.12874 235.8123 49.26015 110.5080       58.27144 
1 1 1 14  18 23 o 129.3237 44.79533 3.928493       3.322822  -0.6987513     4.117576  12.56837       5.626446  100.6793 44.43168 216.0534 55.16811 -115.3741      70.83569 
1 1 1 14  18 24 o 367.3275 23.15809 32.51312       3.981040  30.71136       5.471058  34.54066       5.803740  352.4588 33.39695 373.9739 33.34082 -21.51514      47.19075 
1 1 1 14  18 25 o 218.8147 33.46912 12.03752       3.335495  15.93976       4.656739  7.926169       4.779876  248.6809 41.25384 171.6568 53.46040 77.02415       67.52699 
1 1 1 14  18 26 o 142.8350 56.51672 4.212248       5.630914  4.212248       5.630914  0.000000       0.000000  142.8350 56.51672 ?        ?        0.000000       56.51672 
1 1 1 14  18 27 o 182.5814 48.42965 9.206233       4.227696  8.165874       5.199195  11.23662       7.263307  170.5040 56.03624 193.5444 66.27021 -23.04042      86.78595 
1 1 1 14  18 28 o 254.8084 30.61913 16.40409       3.596598  13.51962       5.573231  18.46265       4.708204  215.3526 54.86187 265.2295 38.89209 -49.87691      67.24893 
1 1 1 14  18 29 o 182.3621 43.25851 9.236506       3.654816  13.64150       5.274964  5.169442       5.068593  215.4291 52.52676 141.1282 54.25518 74.30090       75.51612 
1 1 1 14  20 0  o 580.9326 12.89695 79.49521       3.524374  77.78931       5.659976  80.57552       4.504143  573.9611 20.96346 584.5986 16.37891 -10.63757      26.60330 
1 1 1 14  20 1  o 416.7358 15.49427 40.93530       3.037395  42.15220       7.253677  40.67655       3.344756  419.1578 37.17416 415.3178 17.12043 3.840027       40.92710 
1 1 1 14  20 2  o 264.4556 17.88536 16.57178       2.211868  26.58442       6.489978  15.25594       2.352723  330.8751 42.69339 253.4558 19.89307 77.41930       47.10052 
1 1 1 14  20 3  o 221.5984 16.41830 11.64169       1.699273  15.10999       6.003948  11.33967       1.771715  245.7141 53.46420 218.5844 17.37415 27.12973       56.21638 
1 1 1 14  20 4  o 654.0521 11.61136 100.7443       3.572439  119.9168       10.33169  98.14072       3.807281  710.8166 30.89899 645.4766 12.53907 65.33997       33.34631 
1 1 1 14  20 5  f 435.0796 12.62759 44.59229       2.584392  0.000000       0.000000  44.59229       2.584392  ?        ?        435.0796 12.62759 0.000000       12.62759 
1 1 1 14  20 6  o 129.4841 25.11155 4.103061       1.474336  4.961356       6.388093  4.054771       1.515244  162.8950 61.31096 128.5807 25.94636 34.31421       66.57512 
1 1 1 14  20 7  o 420.4505 12.83604 41.65353       2.538722  48.12724       7.970534  40.92262       2.678208  447.2251 38.25529 416.6953 13.66332 30.52979       40.62208 
1 1 1 14  20 8  o 314.4651 18.12673 23.42421       2.670035  27.96968       7.439521  22.75215       2.860620  337.1789 48.28298 309.7016 19.73857 27.47729       52.16184 
1 1 1 14  20 9  o 1014.550 17.74172 243.0420       8.467175  289.4174       17.75303  229.3866       9.633453  1101.277 34.26941 984.9199 20.79275 116.3576       40.08404 
1 1 1 14  20 10 o 769.0437 18.10357 139.7137       6.549144  144.8573       12.68215  137.8432       7.647799  778.5726 34.62777 763.2389 21.30132 15.33374       40.65500 
1 1 1 14  20 11 o 780.5548 13.74764 143.6915       5.047786  148.8682       7.010920  138.1197       7.273620  793.5543 18.78144 764.0578 20.23742 29.49646       27.60970 
1 1 1 14  20 12 o 819.2419 16.66473 158.5453       6.422139  165.8636       7.538557  139.1796       12.26312  837.3567 19.13853 762.2826 34.19918 75.07410       39.19014 
1 1 1 14  20 13 o 128.7063 37.17633 4.078382       2.376915  3.507729       3.203856  4.776983       3.544884  126.1869 43.97038 141.8834 46.25286 -15.69653      63.81788 
1 1 1 14  20 14 o 209.3843 26.50136 10.60633       2.551810  9.268860       3.354648  12.44298       3.931134  192.7031 38.35614 223.9454 38.71778 -31.24228      54.50009 
1 1 1 14  20 15 o 323.5837 18.68003 24.88345       2.831280  24.00697       3.650392  26.20682       4.485460  316.5895 24.70737 329.7102 29.22328 -13.12076      38.26819 
1 1 1 14  20 16 f 298.0452 21.74550 21.22025       3.027705  19.01669       3.620420  26.34661       5.522047  280.6568 27.78810 328.0855 36.39346 -47.42877      45.78933 
1 1 1 14  20 17 o 395.4388 23.76877 37.40102       4.400821  38.82283       9.276175  36.98805       4.999243  391.3480 51.65117 392.2154 27.26580 -0.8674316     58.40606 
1 1 1 14  20 18 o 140.4218 39.47918 4.959158       2.716576  6.175313       3.539854  3.216712       4.237118  156.1507 45.44492 130.5239 49.74171 25.62682       67.37565 
1 1 1 14  20 19 o 194.7905 33.05933 9.416612       2.920925  9.549479       3.769916  9.217052       4.620194  193.4009 42.59033 188.2347 50.93859 5.166183       66.39787 
1 1 1 14  20 20 o 403.6712 19.87404 38.76197       3.773838  40.38618       5.114840  36.82135       5.590904  409.3779 26.70694 389.2768 30.78306 20.10110       40.75361 
1 1 1 14  20 21 o 226.4359 36.44251 12.83425       3.750012  12.93874       4.162527  12.38407       8.639964  225.7948 40.68644 213.4357 72.28205 12.35913       82.94625 
1 1 1 14  20 22 o 227.8215 31.53712 12.83840       3.289121  11.15042       4.035810  16.17717       5.675956  208.0033 42.67792 247.9908 50.37450 -39.98752      66.02268 
1 1 1 14  20 23 o 308.8922 23.46531 23.04056       3.384106  19.71622       4.494684  27.39153       5.142080  281.2551 34.70898 332.7830 33.29473 -51.52795      48.09628 
1 1 1 14  20 24 o 129.2680 41.89468 4.184724       2.910207  -2.112816      3.929658  11.83372       4.330835  89.96847 41.20078 211.9417 44.83930 -121.9732      60.89389 
1 1 1 14  20 25 o 74.03497 34.59713 -2.504710      2.986060  -4.845423      4.737403  -0.9617236     3.846337  88.36543 41.98193 94.42489 42.22855 -6.059464      59.54605 
1 1 1 14  20 26 o 71.28109 33.46623 -2.558263      2.850134  -4.343044      4.498310  -1.361201      3.683962  86.68912 41.10443 89.56503 40.57889 -2.875916      57.76003 
1 1 1 14  20 27 o 214.8361 32.70887 11.81524       3.201189  6.123663       4.873760  16.13372       4.245348  150.7182 54.07367 248.7870 37.43559 -98.06871      65.76766 
1 1 1 14  22 0  o 476.1655 13.99643 53.45831       3.135051  61.46716       5.247427  49.01286       3.909481  509.6924 21.88613 455.5495 18.24375 54.14285       28.49276 
1 1 1 14  22 1  o 529.1067 14.78247 66.02441       3.679253  74.73247       8.149120  63.79484       4.123448  559.4968 31.08557 519.8843 16.86105 39.61255       35.36393 
1 1 1 14  22 2  o 525.5773 14.54526 65.14174       3.596064  81.00476       8.675933  61.85115       3.951479  582.3593 31.79079 511.9467 16.40838 70.41260       35.77554 
1 1 1 14  22 3  o 405.6716 13.64679 38.79816       2.604201  0.000000       0.000000  38.79816       2.604201  ?        ?        405.6716 13.64679 0.000000       13.64679 
1 1 1 14  22 4  o 520.2347 13.95549 63.81635       3.415180  0.000000       0.000000  63.81635       3.415180  ?        ?        520.2347 13.95549 0.000000       13.95549 
1 1 1 14  22 5  o 421.3630 12.08756 41.84053       2.395876  51.93223       7.595338  40.72543       2.524778  464.8629 34.99048 415.6531 12.91287 49.20975       37.29713 
1 1 1 14  22 6  o 285.4396 13.61554 19.21228       1.828178  16.06124       6.351589  19.49691       1.908963  251.5513 55.19322 287.5189 14.11438 -35.96764      56.96935 
1 1 1 14  22 7  o 773.8962 12.25205 141.1706       4.460266  120.9275       10.84824  145.2888       4.892964  711.6686 32.40502 784.9590 13.25122 -73.29047      35.00971 
1 1 1 14  22 8  o 312.8437 14.92290 23.09723       2.196089  13.22830       7.099328  24.14151       2.309358  226.7791 63.84350 319.8064 15.35093 -93.02731      65.66311 
1 1 1 14  22 9  o 204.2730 21.74426 9.997925       2.057294  13.20749       7.503008  9.737001       2.139285  226.3294 66.24648 201.3387 23.00046 24.99066       70.12573 
1 1 1 14  22 10 o 162.5846 31.80950 6.533386       2.345667  3.647444       7.244273  6.871398       2.479231  158.7103 63.67159 166.6359 32.79633 -7.925552      71.62172 
1 1 1 14  22 11 o 397.9879 18.00377 37.47340       3.370565  41.40904       9.020689  36.83477       3.633757  408.7841 47.81459 394.3705 19.58764 14.41351       51.67118 
1 1 1 14  22 12 o 243.1383 31.46301 14.39012       3.514110  0.000000       0.000000  14.39012       3.514110  ?        ?        243.1383 31.46301 0.000000       31.46301 
1 1 1 14  22 13 o 411.3452 17.94021 40.05912       3.471390  39.38126       3.845410  43.04400       8.069335  407.5168 20.05986 418.6444 41.52313 -11.12769      46.11473 
1 1 1 14  22 14 f 313.1821 21.33030 23.40065       3.123697  21.90237       3.412212  31.15339       7.761893  302.3200 24.19662 352.5086 48.06159 -50.18857      53.80885 
1 1 1 14  22 15 f 197.8589 28.32855 9.553702       2.561380  10.32866       3.147790  8.035078       4.406487  204.3990 33.92811 177.2498 50.43839 27.14926       60.78772 
1 1 1 14  22 16 o 233.2134 23.76295 13.09242       2.570472  10.93143       3.261831  16.63349       4.175446  210.2153 34.15854 260.0395 35.02549 -49.82420      48.92434 
1 1 1 14  22 17 o 83.63371 34.96350 0.3997523      2.300515  0.9464355      2.891618  -0.5429540     3.797181  97.12863 39.76184 98.45304 43.08161 -1.324409      58.62618 
1 1 1 14  22 18 o 276.1015 30.63602 18.59001       3.911885  7.954816       8.018441  21.91191       4.481373  185.2918 68.89573 299.4430 32.32754 -114.1511      76.10316 
1 1 1 14  22 19 o 322.1383 20.23801 24.79288       3.051174  22.19359       3.970700  28.54064       4.767881  302.4589 28.23466 342.7133 29.87377 -40.25436      41.10521 
1 1 1 14  22 20 o 321.2384 20.69882 24.70068       3.111175  19.20886       3.960323  33.55326       5.028145  280.1307 30.54915 371.7137 28.98520 -91.58298      42.11166 
1 1 1 14  22 21 o 66.85769 31.60838 -2.848779      2.623040  -3.820365      3.536855  -1.661209      3.910265  77.21254 36.56345 92.68880 41.91727 -15.47626      55.62323 
1 1 1 14  22 22 o 99.89159 41.18197 1.052939       3.129155  -0.7949156     3.525810  7.907254       6.790582  92.06516 40.84787 176.0950 63.74279 -84.02984      75.70793 
1 1 1 14  22 23 o 206.0369 29.26361 10.54216       2.756529  10.61894       3.707406  10.44724       4.122135  202.3362 40.36681 198.5895 45.14835 3.746689       60.56280 
1 1 1 14  22 24 o 113.4786 38.56852 3.107109       2.459984  3.054502       3.396585  3.165147       3.567598  119.1741 44.73578 121.4336 45.79481 -2.259460      64.01917 
1 1 1 14  22 25 f 123.8942 40.90391 3.893137       2.769144  5.802617       4.518569  2.744667       3.504316  148.7784 52.19725 116.3365 45.00542 32.44193       68.92054 
1 1 1 14  24 0  o 421.2556 15.19098 41.89524       3.010237  45.93172       4.735258  39.15769       3.899622  439.4343 22.98753 406.1322 20.47793 33.30203       30.78591 
1 1 1 14  24 1  o 245.0730 22.88138 14.36725       2.607317  21.61713       5.946557  12.64178       2.901044  295.6017 44.11552 228.8542 27.49850 66.74751       51.98410 
1 1 1 14  24 2  o 724.2267 14.93714 123.8126       5.088754  131.2129       10.51548  121.5496       5.815008  741.4378 30.14985 717.1467 17.23745 24.29108       34.72957 
1 1 1 14  24 3  o 356.0793 14.82873 29.92961       2.483820  0.000000       0.000000  29.92961       2.483820  ?        ?        356.0793 14.82873 0.000000       14.82873 
1 1 1 14  24 4  o 340.3612 14.16083 27.33828       2.267243  24.20928       6.672650  27.74668       2.410666  312.0779 46.90418 342.8287 14.94826 -30.75089      49.22857 
1 1 1 14  24 5  o 248.1212 16.18595 14.60567       1.878824  11.69738       5.899134  14.93399       1.982037  213.3629 57.48337 250.8112 16.89793 -37.44832      59.91559 
1 1 1 14  24 6  o 489.5055 12.03250 56.50050       2.770656  47.62188       7.876819  57.75414       2.959803  442.8453 38.18529 494.8333 12.71554 -51.98795      40.24675 
1 1 1 14  24 7  o 617.8756 12.82559 90.05863       3.727759  109.6314       10.68977  87.34893       3.977437  675.8867 33.62214 608.3527 13.89884 67.53406       36.38167 
1 1 1 14  24 8  o 827.4031 12.45886 161.4819       4.849141  171.3437       13.45596  160.0100       5.198428  844.5712 33.86951 823.4338 13.42066 21.13733       36.43156 
1 1 1 14  24 9  o 361.5513 12.71792 30.84081       2.162994  33.91796       8.019764  30.59941       2.246234  369.3156 47.24603 360.0849 13.26114 9.230713       49.07183 
1 1 1 14  24 10 o 272.6831 15.92878 17.63581       2.034310  3.112366       7.279366  18.86617       2.118727  155.0652 63.23829 282.0502 16.03528 -126.9851      65.23964 
1 1 1 14  24 11 o 223.0661 21.50079 11.92005       2.228156  0.000000       0.000000  11.92005       2.228156  ?        ?        223.0661 21.50079 0.000000       21.50079 
1 1 1 14  24 13 o 265.6336 23.04757 16.91167       2.851356  20.29429       8.392442  16.47025       3.031697  276.0255 65.60155 261.7028 24.92810 14.32275       70.17815 
1 1 1 14  24 14 o 107.9381 42.43966 1.777645       3.156523  -2.030618      7.351165  2.638526       3.495136  130.4043 58.34504 119.2977 45.24559 11.10656       73.83296 
1 1 1 14  24 15 o 257.7193 23.97171 15.97148       2.872814  15.96921       3.123180  15.98395       7.322953  257.1613 26.18320 244.5185 63.20482 12.64285       68.41352 
1 1 1 14  24 16 f 453.0378 14.99558 48.55625       3.195708  47.16162       4.216517  50.43859       4.898629  445.4468 20.12281 460.0255 22.63723 -14.57867      30.28815 
1 1 1 14  24 17 o 415.4835 16.19540 40.90066       3.165300  42.86444       4.351935  38.69495       4.612215  423.5136 21.91975 401.5200 24.53706 21.99362       32.90202 
1 1 1 14  24 18 o 191.9306 29.34544 9.077600       2.565269  10.14863       3.649580  8.031713       3.606480  199.6823 40.24414 176.4104 43.68879 23.27182       59.39951 
1 1 1 14  24 19 o 219.4699 25.21633 11.71017       2.556023  11.99492       3.521570  11.39315       3.715769  218.8630 35.41520 212.0026 38.68505 6.860413       52.44777 
1 1 1 14  24 20 o 117.4968 43.29439 2.923619       3.152655  5.451844       7.071442  2.296440       3.522055  161.9052 63.56533 114.8784 44.93013 47.02678       77.84129 
1 1 1 14  24 21 o 528.1351 15.70805 66.26831       3.902445  59.65253       5.317619  73.98995       5.744894  498.3755 22.68252 555.3913 21.98942 -57.01581      31.59163 
1 1 1 14  24 22 o 232.2477 24.54365 13.16929       2.640768  13.64098       3.736851  12.69872       3.732372  232.0770 35.34621 223.0971 36.85163 8.979858       51.06268 
1 1 1 14  24 23 o 147.6703 51.24924 5.618702       4.350285  13.90012       6.041388  -3.299643      6.269408  220.8102 57.57074 110.0462 50.98317 110.7640       76.90041 
1 1 1 14  26 0  o 459.1453 14.94740 49.79671       3.228383  40.70549       4.912943  56.70564       4.282880  412.7012 25.43062 489.3883 18.60428 -76.68707      31.50930 
1 1 1 14  26 1  o 188.0026 30.25513 8.659558       2.584897  8.721761       5.624195  8.642900       2.910512  186.1962 57.99040 186.8275 34.38462 -0.6313629     67.41801 
1 1 1 14  26 2  o 415.0382 16.81205 40.73271       3.282299  35.61237       6.680244  42.36226       3.768575  382.3099 37.63343 422.9544 18.94150 -40.64447      42.13140 
1 1 1 14  26 3  o 353.0645 15.68416 29.45607       2.604862  0.000000       0.000000  29.45607       2.604862  ?        ?        353.0645 15.68416 0.000000       15.68416 
1 1 1 14  26 4  o 499.1114 12.86159 58.77640       3.019683  69.56005       8.834927  57.35002       3.213192  536.4475 35.20652 492.8932 13.85845 43.55435       37.83590 
1 1 1 14  26 5  f 474.5784 12.90560 53.14256       2.881081  58.29370       8.588275  52.48935       3.058304  489.9299 37.55095 471.5464 13.78754 18.38348       40.00213 
1 1 1 14  26 6  f 463.0113 13.88879 50.61126       3.024999  41.91439       8.033074  52.04828       3.265366  413.2551 41.90264 469.4213 14.78767 -56.16623      44.43542 
1 1 1 14  26 7  o 308.1884 14.45334 22.43156       2.095337  38.10940       7.435835  21.07928       2.183834  394.2548 40.67890 298.2494 15.62010 96.00540       43.57477 
1 1 1 14  26 8  o 381.9331 18.70822 34.55167       3.361159  26.07907       7.452736  36.71499       3.765896  321.3368 51.00869 392.9232 20.44532 -71.58633      54.95359 
1 1 1 14  26 9  o 356.7965 20.03237 30.28331       3.348588  41.52795       8.215549  28.04306       3.667016  410.3413 43.21151 342.7064 22.87832 67.63489       48.89429 
1 1 1 14  26 10 o 441.5603 20.35469 46.26463       4.227892  0.000000       0.000000  46.26463       4.227892  ?        ?        441.5603 20.35469 0.000000       20.35469 
1 1 1 14  26 11 o 242.5664 26.63245 14.21711       2.988853  16.59334       7.348882  13.74615       3.271662  250.3011 62.58156 237.6387 29.93126 12.66243       69.37097 
1 1 1 14  26 12 o 237.1396 27.97696 13.64283       3.060772  9.247920       7.113453  14.64137       3.390701  192.5415 65.58468 245.2299 30.02007 -52.68837      72.12874 
1 1 1 14  26 13 o 174.0228 26.44300 7.400361       2.096520  -0.2947682     6.449831  8.309464       2.216905  129.2409 56.36153 184.6540 26.26230 -55.41313      62.17982 
1 1 1 14  26 14 o 90.89980 36.14503 1.127867       2.313682  3.585018       6.788012  0.8048766      2.461054  152.3280 61.44923 89.81179 36.71471 62.51623       71.58197 
1 1 1 14  26 15 o 132.9030 34.66701 4.450188       2.189959  12.27111       6.802522  3.545897       2.313103  213.8125 63.21987 120.2828 37.14516 93.52970       73.32472 
1 1 1 14  26 16 o 388.5139 19.58215 35.99992       3.567285  19.74435       7.412721  40.89917       4.069503  271.2227 59.71714 413.7557 20.97735 -142.5329      63.29444 
1 1 1 14  26 17 o 148.1479 39.60302 5.616030       2.813023  4.571939       3.154060  9.675982       6.219583  135.8866 43.57035 190.7898 61.18482 -54.90318      75.11297 
1 1 1 14  26 18 o 170.3758 51.03773 7.628673       4.411910  16.64091       6.561720  0.1927468      5.960313  247.5779 57.45156 124.8074 54.30908 122.7705       79.05794 
1 1 1 14  26 19 o 109.7149 46.63745 0.7098259      4.203956  -0.2415577     5.958540  1.652794       5.932130  121.9863 53.65821 131.5497 55.63337 -9.563385      77.29343 
1 1 1 14  26 20 o 174.7390 49.64820 8.205721       4.272860  8.852557       6.246035  7.636743       5.858079  180.5679 61.45625 170.3883 59.45202 10.17958       85.50681 
1 1 1 14  26 21 o 216.3016 64.54945 13.70095       7.067064  0.000000       0.000000  13.70095       7.067064  ?        ?        216.3016 64.54945 0.000000       64.54945 
1 1 1 14  28 0  o 146.9739 33.97441 5.403580       2.301869  0.5281149      3.727434  8.409122       2.926600  105.0427 44.24369 183.8611 35.11864 -78.81836      56.48737 
1 1 1 14  28 1  o 443.1264 17.19684 46.46834       3.584640  50.41618       7.333931  45.22915       4.108893  456.1934 34.42944 436.7073 20.00162 19.48605       39.81772 
1 1 1 14  28 2  o 535.1208 18.31315 67.81949       4.609823  0.000000       0.000000  67.81949       4.609823  ?        ?        535.1208 18.31315 0.000000       18.31315 
1 1 1 14  28 3  o 270.8589 17.22526 17.43075       2.183311  21.57551       6.853554  16.96262       2.303313  291.1124 51.95367 266.9832 18.45326 24.12927       55.13354 
1 1 1 14  28 4  o 435.6022 13.63825 44.80331       2.794590  46.04638       7.817976  44.62121       2.992292  434.1470 38.68681 434.5879 14.63717 -0.4409485     41.36322 
1 1 1 14  28 5  o 420.5153 13.79815 41.75958       2.729429  37.36623       7.405346  42.45023       2.936140  389.7693 41.00442 423.8597 14.72602 -34.09048      43.56854 
1 1 1 14  28 6  o 319.9805 19.23551 24.35979       2.881870  16.33175       6.440267  26.36976       3.222503  250.7584 56.01178 332.6739 20.69486 -81.91548      59.71262 
1 1 1 14  28 7  o 431.0261 17.09657 43.97945       3.466427  59.51249       8.400070  40.79137       3.805570  494.6099 36.35849 414.7068 19.50784 79.90302       41.26131 
1 1 1 14  28 8  o 198.1561 21.00132 9.429498       1.927761  4.777051       6.791255  9.837227       2.010459  160.5795 62.50426 202.3531 21.44804 -41.77357      66.08178 
1 1 1 14  28 9  o 465.4883 12.82743 51.16146       2.808779  37.03924       7.881076  53.21623       3.006180  385.8606 44.21774 474.6503 13.46393 -88.78976      46.22214 
1 1 1 14  28 10 o 315.7882 13.99390 23.56796       2.078758  24.15280       6.958836  23.51065       2.178215  308.0186 49.72092 315.3275 14.68485 -7.308838      51.84414 
1 1 1 14  28 11 o 293.1355 34.37436 21.08247       4.649949  15.89774       6.237493  27.56837       6.976418  246.2287 55.21450 330.7672 46.08981 -84.53844      71.92296 
1 1 1 14  28 12 o 212.9366 46.10059 11.66321       4.483858  10.46373       5.935157  13.25803       6.843719  199.1462 59.09219 222.0918 62.73972 -22.94559      86.18678 
1 1 1 14  28 13 o 347.9782 31.39480 29.51024       5.083663  21.96195       6.465265  41.73603       8.228123  292.5492 48.69207 408.2501 43.51619 -115.7009      65.30373 
1 1 1 14  28 14 o 238.2492 42.37195 14.44449       4.574727  9.964329       5.979218  20.76992       7.104650  193.6274 59.70872 280.0311 55.89262 -86.40372      81.78702 
1 1 1 14  28 15 o 114.8852 46.29511 1.858387       3.848355  -0.4221166     5.205259  4.607610       5.715208  114.6848 50.30600 149.8494 57.61109 -35.16463      76.48354 
1 1 1 14  28 16 o 323.5059 47.32915 27.01843       6.989412  0.000000       0.000000  27.01843       6.989412  ?        ?        323.5059 47.32915 0.000000       47.32915 
1 1 1 14  28 17 o 223.4592 44.89454 13.03725       4.555324  6.533889       6.322083  20.05945       6.569436  164.8160 61.19661 273.9182 52.89976 -109.1022      80.89134 
1 1 1 14  30 0  o 123.6775 36.57164 3.781243       2.276339  3.043091       3.618226  4.264804       2.928524  123.9450 46.24172 132.3439 41.93624 -8.398819      62.42552 
1 1 1 14  30 1  o 275.6873 22.44915 18.21124       2.886011  17.00060       6.105034  18.55964       3.275057  256.4155 52.38452 277.6354 25.35683 -21.21991      58.19886 
1 1 1 14  30 2  o 301.0390 20.22700 21.62189       2.847702  24.39061       5.959200  20.80253       3.241799  313.1472 41.47536 294.4951 23.59948 18.65204       47.71941 
1 1 1 14  30 3  o 478.6942 13.13638 54.12420       2.958034  48.98930       7.143063  55.18704       3.249781  448.8453 34.08589 483.1833 14.29792 -34.33792      36.96321 
1 1 1 14  30 4  o 154.9761 34.28491 6.028557       2.433176  7.717005       5.348278  5.587881       2.732311  175.1552 56.79708 148.6643 38.69547 26.49091       68.72589 
1 1 1 14  30 5  o 211.9091 55.67443 11.79251       5.621854  11.79251       5.621854  0.000000       0.000000  211.9091 55.67443 ?        ?        0.000000       55.67443 
1 1 1 14  30 6  o 137.5269 48.17514 4.316061       3.848325  1.547563       5.529114  6.917361       5.359553  130.1947 54.29695 168.0305 56.92956 -37.83572      78.67105 
1 1 1 14  30 7  o 341.5501 28.87306 28.22979       4.595459  27.03627       6.498960  29.42331       6.498960  328.6790 43.07074 344.0237 40.96476 -15.34470      59.44072 
1 1 1 14  30 8  o 222.0744 39.27057 12.40204       3.952296  9.054698       5.412843  16.22473       5.784421  186.4601 56.68434 250.0838 50.90150 -63.62370      76.18449 
1 1 1 14  30 9  f 361.7090 38.34689 32.37218       6.425165  0.000000       0.000000  32.37218       6.425165  ?        ?        361.7090 38.34689 0.000000       38.34689 
1 1 1 14  30 10 o 297.2985 31.33261 21.61164       4.315877  21.19798       6.118075  22.02140       6.089173  287.9752 46.76836 294.2451 45.45763 -6.269836      65.22021 
1 1 1 14  30 11 o 240.5298 37.36916 14.49049       4.090936  9.961356       5.851818  18.81986       5.721304  193.4550 58.96641 270.6861 46.61448 -77.23102      75.16613 
1 1 1 14  30 12 o 285.1007 45.92967 20.85612       5.950466  20.85612       5.950466  0.000000       0.000000  285.1007 45.92967 ?        ?        0.000000       45.92967 
1 1 1 14  30 13 o 140.9871 47.34342 4.878778       3.706244  11.91439       5.540804  -0.8180738     4.985852  210.1139 55.30478 110.0153 48.70475 100.0987       73.69377 
1 1 1 14  32 0  o 414.5677 23.23751 41.20705       4.513367  29.90488       6.248382  53.53746       6.526423  346.8060 38.97623 470.0065 29.67133 -123.2006      48.98504 
1 1 1 14  32 1  o 167.5256 53.81381 7.155173       4.809762  0.000000       0.000000  7.155173       4.809762  ?        ?        167.5256 53.81381 0.000000       53.81381 
1 1 1 14  32 2  o 317.3288 27.78957 24.40638       4.106403  18.12723       5.935119  30.17242       5.687456  264.5420 49.51412 350.2140 34.99194 -85.67203      60.63071 
1 1 1 14  32 3  o 243.2973 35.77847 14.72991       3.972470  16.02854       5.905053  13.65636       5.368975  247.0534 52.43423 228.1100 51.28192 18.94345       73.34292 
1 1 1 14  32 4  o 249.5939 48.79044 16.15636       5.523139  16.15636       5.523139  0.000000       0.000000  249.5939 48.79044 ?        ?        0.000000       48.79044 
1 1 1 14  32 5  o 293.2420 29.13515 20.94659       3.965744  19.44114       5.647737  22.41082       5.569893  275.9994 45.05558 298.7603 40.69131 -22.76086      60.71069 
1 1 1 14  32 6  o 267.2090 31.53654 17.54009       3.887616  12.39299       5.436860  22.92509       5.561084  215.8390 53.75240 302.3325 40.09139 -86.49352      67.05699 
1 1 1 14  32 7  o 271.3849 31.73601 18.11065       3.974908  15.83532       5.615598  20.39536       5.627157  245.8206 50.25926 283.0834 43.66177 -37.26285      66.57584 
1 1 1 15  1  0  o 250.9889 16.56516 14.92257       1.944780  17.45814       2.864271  12.75382       2.648996  270.7940 22.69496 230.8348 24.78349 39.95920       33.60480 
1 1 1 15  1  1  o 147.5932 26.64605 5.316716       1.781911  5.658045       2.525361  4.978269       2.514679  151.1179 36.03275 141.9095 37.21236 9.208359       51.79883 
1 1 1 15  1  2  o 447.0889 12.87021 47.09477       2.706755  50.27909       3.896983  44.12657       3.762421  461.5828 17.94773 432.3754 18.49853 29.20743       25.77434 
1 1 1 15  1  3  o 480.9988 13.00636 54.51225       2.942857  48.49806       4.053115  61.21793       4.279786  453.2360 19.01057 509.3276 17.86305 -56.09155      26.08621 
1 1 1 15  1  4  o 609.2974 12.64795 87.46069       3.625091  89.57188       5.203175  85.46928       5.053410  616.0933 17.95364 601.8301 17.85013 14.26318       25.31719 
1 1 1 15  1  5  o 169.3405 28.81540 6.983967       2.213166  7.194063       3.148475  6.778759       3.111629  170.2404 39.99500 165.2385 40.37547 5.001923       56.83114 
1 1 1 15  1  6  o 688.5166 15.20981 111.7216       4.926150  112.3472       6.028054  110.4637       8.547174  690.1036 18.56922 683.2266 26.59429 6.877014       32.43567 
1 1 1 15  1  7  o 322.2851 21.50458 24.62033       3.241454  21.23663       5.596207  26.32873       3.976421  295.8952 41.33409 332.8117 25.59570 -36.91650      48.61735 
1 1 1 15  1  8  o 1190.403 15.12763 333.7446       8.470988  341.1293       12.23145  326.9379       11.74304  1202.654 21.62062 1177.434 21.20189 25.21948       30.28154 
1 1 1 15  1  9  o 893.0067 14.33051 187.7558       6.019851  184.4913       8.429637  191.1533       8.599618  884.7578 20.25421 900.5864 20.29946 -15.82861      28.67579 
1 1 1 15  1  10 f 1373.027 16.47921 443.9442       10.64351  442.7559       15.03620  445.1376       15.06825  1370.349 23.32586 1374.031 23.31293 -3.682739      32.97860 
1 1 1 15  1  11 o 1243.533 15.99593 364.1085       9.356991  358.0073       13.04617  370.5717       13.42764  1232.408 22.50397 1253.816 22.76651 -21.40747      32.01160 
1 1 1 15  1  12 o 911.6711 17.19196 195.7362       7.372809  183.5315       11.98582  203.1653       9.351284  881.7632 28.89657 928.4842 21.41053 -46.72095      35.96419 
1 1 1 15  1  13 o 451.5850 18.68483 48.04137       3.969153  42.55864       5.386189  54.55693       5.871635  423.7970 27.16105 480.1657 26.09350 -56.36871      37.66422 
1 1 1 15  1  14 o 1745.415 19.49762 717.8926       16.00846  717.5297       22.63457  718.2559       22.64420  1743.318 27.60110 1744.200 27.59887 -0.8826904     39.03228 
1 1 1 15  1  15 o 1009.572 16.12571 240.0673       7.658181  239.4669       10.79229  240.6763       10.86872  1007.597 22.76971 1010.125 22.87357 -2.528076      32.27476 
1 1 1 15  1  16 o 829.3259 16.81198 162.0464       6.558634  176.4074       9.605989  149.5057       8.976586  864.5684 23.61965 795.8796 23.97698 68.68872       33.65685 
1 1 1 15  1  17 o 242.8210 46.86096 14.53831       5.158725  15.96908       7.900794  13.47503       6.810990  252.1813 65.87891 232.1902 61.41387 19.99104       90.06494 
1 1 1 15  1  18 o 1061.446 17.19319 265.6255       8.584670  278.1440       12.62474  254.8589       11.70812  1084.789 24.74046 1038.547 23.96579 46.24194       34.44487 
1 1 1 15  1  19 o 257.7719 33.06105 16.04320       3.916476  12.40054       5.418389  20.02846       5.667468  222.3475 52.62308 286.1483 43.47221 -63.80081      68.25702 
1 1 1 15  1  20 o 246.5500 41.57967 14.96621       4.650753  14.96734       5.882180  14.96433       7.595962  243.8342 52.81151 241.9770 65.24410 1.857193       83.93955 
1 1 1 15  1  21 o 627.4785 19.12796 93.10185       5.645949  88.70367       7.900733  97.69181       8.071149  610.7436 27.50041 641.1257 26.76226 -30.38214      38.37305 
1 1 1 15  1  22 o 368.0695 25.48638 32.38226       4.385572  32.24426       6.149617  32.52509       6.256023  364.2941 36.37235 365.7344 36.86611 -1.440277      51.78859 
1 1 1 15  1  23 o 240.1091 50.95262 14.79083       5.576828  13.50178       7.598355  16.29608       8.210862  226.0361 66.81046 246.8284 68.36896 -20.79228      95.59264 
1 1 1 15  1  24 f 219.3112 47.48464 12.37355       4.756780  17.64342       5.874302  2.336802       8.106859  262.1394 49.45137 155.1925 65.30146 106.9469       81.91287 
1 1 1 15  1  25 o 217.8522 40.99500 12.06399       4.046917  18.39411       6.097312  7.079702       5.410463  265.8770 50.60014 168.3051 57.19844 97.57182       76.36777 
1 1 1 15  1  26 o 473.2846 26.04752 54.10797       5.776744  58.50179       10.12832  51.98948       7.032820  479.7448 45.42137 460.4480 32.68211 19.29672       55.95732 
1 1 1 15  1  27 o 237.0135 44.95830 14.64714       4.829079  16.75082       6.145506  11.25149       7.807815  248.9104 54.03621 200.8580 68.70968 48.05238       87.41242 
1 1 1 15  1  28 o 221.2731 42.05391 12.73341       4.217262  11.97848       5.959318  13.49077       5.968913  206.8498 58.58478 220.1371 57.14149 -13.28729      81.83720 
1 1 1 15  1  29 o 435.0452 28.24605 46.42899       5.749165  49.92199       7.099407  39.77408       9.799268  447.1056 34.01037 380.2896 56.49541 66.81607       65.94268 
1 1 1 15  1  30 o 101.1145 43.56818 0.4157385      3.760923  4.650023       5.251610  -4.042215      5.388529  142.4936 55.10297 97.97356 46.00395 44.52006       71.78232 
1 1 1 15  1  31 o 80.46348 37.68941 -2.810637      3.579134  -4.976282      5.051751  -0.6279184     5.071627  90.18958 42.99102 107.8830 48.35143 -17.69342      64.69999 
1 1 1 15  1  32 o 334.2447 29.78831 28.23231       4.634511  21.35256       7.453318  32.56908       5.917616  262.2812 61.48078 353.6396 36.07795 -91.35846      71.28467 
1 1 1 15  1  33 o 139.8044 50.33044 5.552334       4.225768  5.315102       6.026444  5.781808       5.927072  141.9651 57.67696 144.6371 57.74491 -2.672028      81.61559 
1 1 1 15  1  34 o 156.1253 51.33293 7.673786       4.362876  0.9961357      5.934277  15.52913       6.436336  115.4725 51.98267 211.4254 61.20649 -95.95284      80.30213 
1 1 1 15  3  0  o 157.9149 27.31392 6.077367       1.955544  3.142093       4.015135  6.990175       2.239059  130.2378 48.68787 169.2919 29.16937 -39.05412      56.75703 
1 1 1 15  3  1  o 658.8330 11.74001 102.2400       3.638422  102.0553       5.146206  102.4247       5.144806  657.7570 16.63231 658.9501 16.59767 -1.193115      23.49715 
1 1 1 15  3  2  o 137.9849 29.23452 4.686843       1.838563  3.372919       2.550791  6.107559       2.652427  120.7088 39.22953 156.9658 36.59692 -36.25702      53.64970 
1 1 1 15  3  3  o 256.8697 18.07597 15.64734       2.170234  11.32839       3.022646  20.24285       3.117921  216.3600 30.54880 291.7007 22.90684 -75.34068      38.18314 
1 1 1 15  3  4  o 811.7076 12.61727 155.2053       4.817638  167.9097       7.174072  144.7704       6.501772  843.5933 18.07854 783.3712 17.64391 60.22217       25.26146 
1 1 1 15  3  5  o 256.0367 22.83117 15.61118       2.720940  13.56690       3.303245  19.92569       4.798830  237.3339 30.27754 287.1839 36.33565 -49.84995      47.29703 
1 1 1 15  3  6  o 124.2072 36.73406 3.720241       2.296443  6.235123       3.246395  1.201432       3.248929  158.9776 42.56404 105.4786 42.52564 53.49902       60.16750 
1 1 1 15  3  7  f 497.9592 14.37564 58.39816       3.367365  56.85462       4.795236  59.89985       4.729785  490.9832 20.76223 504.0137 19.94939 -13.03049      28.79320 
1 1 1 15  3  8  o 830.9501 16.08245 162.6245       6.286320  166.2010       11.54136  161.1159       7.495802  838.7094 29.25338 826.8395 19.27204 11.86987       35.03101 
1 1 1 15  3  9  o 664.9263 14.25662 104.0877       4.459226  103.8256       6.398067  104.3352       6.218369  663.7526 20.49148 665.4189 19.86607 -1.666382      28.54052 
1 1 1 15  3  10 o 343.2949 22.47136 27.89768       3.608801  25.43321       4.421139  32.81808       6.247013  326.9639 29.04771 370.7405 36.28579 -43.77661      46.48040 
1 1 1 15  3  11 o 1249.714 22.69954 368.1386       13.34434  0.000000       0.000000  368.1386       13.34434  ?        ?        1249.714 22.69954 0.000000       22.69954 
1 1 1 15  3  12 o 990.0974 15.28269 230.8012       7.117823  233.1575       10.20465  228.5686       9.933088  994.6132 21.81095 984.8112 21.44184 9.802002       30.58545 
1 1 1 15  3  13 o 1248.841 19.10308 367.4472       11.22224  365.7301       13.67593  370.9869       19.63557  1245.396 23.34426 1252.661 33.32273 -7.265137      40.68611 
1 1 1 15  3  14 o 215.9408 32.00828 11.26055       3.152920  5.199478       4.441392  17.41816       4.476621  153.0850 51.82447 268.8443 36.32850 -115.7593      63.28930 
1 1 1 15  3  15 f 1346.013 19.81228 427.0627       12.54449  426.7159       15.33406  427.7646       21.81256  1344.733 24.24106 1344.126 34.49828 0.6075439      42.16350 
1 1 1 15  3  16 o 1383.197 17.63256 450.8704       11.47278  457.2236       16.37036  444.7380       16.08337  1391.540 25.00882 1372.430 24.91251 19.11047       35.29978 
1 1 1 15  3  17 o 554.4260 21.45827 72.53575       5.596386  90.33889       10.76623  65.94429       6.550980  615.5930 37.35592 528.1942 26.36594 87.39880       45.72338 
1 1 1 15  3  18 o 844.7568 16.90157 168.2430       6.716268  188.4866       10.11668  152.2897       8.980910  893.0419 24.08223 802.7729 23.78255 90.26898       33.84617 
1 1 1 15  3  19 o 448.8143 24.67961 47.80786       5.190421  39.20927       8.652954  52.64063       6.487076  401.4142 46.69770 470.1452 29.48157 -68.73102      55.22534 
1 1 1 15  3  20 o 280.1049 31.18149 18.89693       4.038803  14.49633       5.621006  23.59356       5.806993  240.1066 51.32306 311.0912 40.65445 -70.98459      65.47398 
1 1 1 15  3  21 o 316.1104 31.74277 24.08831       4.656358  21.07039       5.584183  30.97503       8.435514  292.7782 41.72697 352.2700 52.51017 -59.49185      67.07054 
1 1 1 15  3  22 o 518.9266 24.03596 64.00964       5.867279  66.84470       7.255066  58.65042       9.974957  528.1682 29.31634 489.0421 43.82552 39.12616       52.72688 
1 1 1 15  3  23 o 362.2645 25.65250 31.46535       4.343175  29.47608       5.988608  33.67261       6.308199  346.9085 37.28299 371.2771 36.59506 -24.36859      52.24194 
1 1 1 15  3  24 o 97.87174 44.46318 -2.220214      4.460462  11.36742       8.513112  -7.361891      5.236834  209.0512 71.74106 88.25158 42.50977 120.7996       83.38981 
1 1 1 15  3  25 o 250.2348 35.04517 15.55020       4.012045  14.03640       5.709167  17.02716       5.639256  230.0778 53.72509 256.3568 48.54090 -26.27905      72.40584 
1 1 1 15  3  26 f 251.0025 35.73232 15.76135       4.099884  18.02072       5.929400  13.69157       5.675174  261.8871 49.95422 225.6271 54.15841 36.26003       73.67875 
1 1 1 15  3  27 o 207.8156 41.81698 11.19197       3.946339  12.95379       5.662139  9.527677       5.503188  217.7026 55.20930 187.0508 57.21668 30.65179       79.50984 
1 1 1 15  3  28 o 76.84462 37.42601 -7.034461      4.353404  -5.243566      5.364048  -10.49049      7.451544  94.77312 44.92249 101.5899 49.36071 -6.816750      66.74211 
1 1 1 15  3  29 f 161.2986 51.95895 6.992114       4.481524  8.252082       7.354290  6.247874       5.652197  176.1318 65.88375 157.4839 57.97868 18.64790       87.76216 
1 1 1 15  3  30 o 187.3973 50.57227 9.787721       4.561411  8.972327       5.622021  11.35850       7.803092  177.4676 58.26765 194.2370 68.55460 -16.76939      89.97141 
1 1 1 15  3  31 o 126.7449 48.46405 3.672243       4.030739  2.120393       6.799223  4.513154       5.005062  134.3253 58.22712 138.3379 53.71079 -4.012558      79.21645 
1 1 1 15  3  32 o 72.82381 35.12767 -4.645336      3.607121  -4.155767      6.053965  -4.914800      4.491428  101.5460 48.01159 83.02819 39.83498 18.51783       62.38541 
1 1 1 15  3  33 o 155.4156 50.77484 7.238005       4.271043  5.526160       5.710483  9.411416       6.434452  142.1821 56.70665 169.0977 61.92014 -26.91556      83.96278 
1 1 1 15  3  34 o 91.18985 44.38324 -6.614151      6.093477  -6.614151      6.093477  0.000000       0.000000  91.18985 44.38324 ?        ?        0.000000       44.38324 
1 1 1 15  5  0  o 954.5301 12.73974 214.6437       5.720309  236.5042       12.60231  208.9709       6.419756  999.2050 26.81182 941.6091 14.49368 57.59589       30.47852 
1 1 1 15  5  1  o 510.7513 14.31256 61.47808       3.438714  62.27706       6.461195  61.16234       4.061735  512.0801 26.91734 509.2343 16.95605 2.845764       31.81274 
1 1 1 15  5  2  o 675.5425 12.05523 107.4809       3.830870  110.9329       5.555380  104.3511       5.289715  685.8242 17.21994 665.2006 16.90481 20.62360       24.13087 
1 1 1 15  5  3  o 1124.698 13.74610 298.0118       7.272520  309.9465       10.62270  287.4832       9.977399  1145.994 19.70530 1103.777 19.21615 42.21667       27.52380 
1 1 1 15  5  4  o 836.4602 18.43324 165.0098       7.252978  165.0098       7.252978  0.000000       0.000000  836.4602 18.43324 ?        ?        0.000000       18.43324 
1 1 1 15  5  5  o 532.8552 13.50403 66.86718       3.384868  68.41566       4.883718  65.43565       4.695672  538.6327 19.27474 526.7944 18.94905 11.83832       27.02928 
1 1 1 15  5  6  o 576.7567 13.40163 78.32264       3.635963  75.96481       5.049601  80.86135       5.239726  567.7096 18.90869 585.7134 19.01753 -18.00378      26.81800 
1 1 1 15  5  7  o 334.7843 17.60880 26.47623       2.763346  30.29190       3.932954  22.75604       3.883438  357.6017 23.51136 309.3105 26.95979 48.29120       35.77170 
1 1 1 15  5  8  o 626.5955 13.97574 92.42815       4.119376  94.52547       5.920488  90.46001       5.735281  633.3741 19.87137 619.6149 19.67721 13.75916       27.96541 
1 1 1 15  5  9  o 979.5247 16.90075 225.9446       7.787368  224.6433       14.24169  226.4997       9.300985  975.2841 31.04282 980.4730 20.16620 -5.188843      37.01800 
1 1 1 15  5  10 o 643.9956 16.32584 97.65401       4.945700  92.44947       7.974415  100.9072       6.304696  625.9880 27.08093 654.4252 20.48023 -28.43726      33.95315 
1 1 1 15  5  11 o 2456.079 24.48949 1422.430       28.29381  1477.326       41.78506  1375.947       38.44968  2499.510 35.53832 2412.813 33.87661 86.69727       49.09782 
1 1 1 15  5  12 o 479.8072 17.32528 54.22010       3.910357  50.03241       5.419368  58.76837       5.647867  459.8810 25.14679 499.2135 24.05076 -39.33255      34.79655 
1 1 1 15  5  13 o 1232.334 16.30783 357.6492       9.453528  363.2381       13.55420  352.3553       13.19178  1241.104 23.21649 1222.408 22.94129 18.69568       32.63906 
1 1 1 15  5  14 o 419.0801 28.15402 41.66618       5.517956  41.66618       5.517956  0.000000       0.000000  419.0801 28.15402 ?        ?        0.000000       28.15402 
1 1 1 15  5  15 o 373.9908 21.46834 33.09413       3.761016  38.26213       5.368120  28.11149       5.270970  401.3680 28.61971 343.0623 33.07208 58.30569       43.73614 
1 1 1 15  5  16 o 333.8441 24.84546 26.46395       3.873817  22.18733       5.321349  31.28554       5.650242  303.3733 38.13096 361.8539 33.57697 -58.48065      50.80731 
1 1 1 15  5  17 o 206.4617 36.73549 10.42322       3.436992  14.53150       5.003386  6.752470       4.729455  242.8946 45.46116 168.6267 53.27814 74.26794       70.03768 
1 1 1 15  5  18 o 848.7424 23.58137 170.2714       9.414868  0.000000       0.000000  170.2714       9.414868  ?        ?        848.7424 23.58137 0.000000       23.58137 
1 1 1 15  5  19 o 606.9797 18.57792 86.97761       5.304452  86.58689       7.710431  87.32869       7.308920  604.3435 27.12224 607.1902 25.58934 -2.846741      37.28847 
1 1 1 15  5  20 o 1113.887 17.65520 293.0323       9.250879  296.6651       13.26420  289.5918       12.90849  1118.376 25.21295 1105.102 24.83154 13.27405       35.38783 
1 1 1 15  5  21 o 170.7584 50.19233 7.280736       4.299037  9.433607       5.323871  3.246136       7.288175  193.0086 55.60596 157.0247 63.55732 35.98395       84.44854 
1 1 1 15  5  22 o 333.9926 32.58250 27.01524       5.053869  23.45290       6.001370  35.70155       9.371315  307.7992 42.59016 375.6410 54.63576 -67.84177      69.27473 
1 1 1 15  5  23 o 552.5511 20.39550 72.50366       5.301223  72.79337       7.393803  72.19717       7.604772  550.3933 28.65691 547.7321 29.62554 2.661194       41.21761 
1 1 1 15  5  24 o 152.3158 48.05325 5.802201       3.848425  4.407224       5.249490  7.423015       5.658483  146.8475 55.50887 172.7542 58.49582 -25.90665      80.64115 
1 1 1 15  5  25 o 301.7807 43.82761 23.12293       6.039767  0.000000       0.000000  23.12293       6.039767  ?        ?        301.7807 43.82761 0.000000       43.82761 
1 1 1 15  5  26 o 105.7093 44.52076 0.7818528      3.773761  -4.852578      5.086208  7.682421       5.628745  93.66331 44.19991 172.2272 58.34179 -78.56389      73.19424 
1 1 1 15  5  27 o 474.9430 23.12884 54.21021       5.167312  49.44005       7.096644  59.59320       7.538741  446.9630 34.00813 491.7686 32.77659 -44.80560      47.23196 
1 1 1 15  5  28 o 174.9648 53.20719 8.303392       4.768567  4.358578       5.673416  17.79727       8.801426  145.1616 56.95393 243.2353 71.90852 -98.07370      91.73105 
1 1 1 15  5  29 o 318.8012 29.65104 25.14814       4.395643  24.54721       6.073713  25.80904       6.369595  306.7321 43.29860 313.8732 44.37817 -7.141022      62.00154 
1 1 1 15  5  30 o 163.3773 47.37499 7.312569       3.853195  14.03183       5.506874  0.8674155      5.393379  222.9675 53.23905 119.4161 51.81178 103.5514       74.28901 
1 1 1 15  5  31 o 316.9413 39.37372 26.35637       5.743740  0.000000       0.000000  26.35637       5.743740  ?        ?        316.9413 39.37372 0.000000       39.37372 
1 1 1 15  5  32 o 108.7915 44.82612 1.938426       3.704892  12.20571       6.178805  -3.825293      4.629436  195.9469 60.74231 88.23812 41.79816 107.7088       73.73408 
1 1 1 15  5  33 o 127.8864 49.43228 4.231151       4.224879  4.253865       6.268824  4.212248       5.718754  135.7832 57.29422 133.4577 55.40193 2.325500       79.69944 
1 1 1 15  5  34 o 112.0520 51.24294 0.1839774      6.049783  0.1839774      6.049783  0.000000       0.000000  112.0520 51.24294 ?        ?        0.000000       51.24294 
1 1 1 15  7  0  o 643.4472 11.94161 97.48056       3.614473  105.8859       8.201978  95.45484       4.026537  669.3048 26.05105 636.6378 13.44529 32.66705       29.31609 
1 1 1 15  7  1  o 811.6290 12.48140 155.1071       4.765299  179.7265       10.98822  149.4043       5.288489  871.9455 26.78975 796.4468 14.11580 75.49866       30.28113 
1 1 1 15  7  2  o 446.1201 13.66816 46.86817       2.868343  56.15339       6.484866  44.60976       3.198204  486.4980 28.46080 435.1567 15.62396 51.34125       32.46730 
1 1 1 15  7  3  o 589.2769 13.75648 81.76694       3.813258  84.68286       4.822587  76.90250       6.228844  599.5042 17.10088 570.8751 23.19514 28.62903       28.81761 
1 1 1 15  7  4  o 1224.131 14.38008 352.8480       8.280540  359.1980       11.88278  346.8535       11.54541  1234.380 20.46444 1213.015 20.23363 21.36499       28.77835 
1 1 1 15  7  5  o 1373.224 15.52973 444.0618       10.03170  437.6704       14.00720  450.7921       14.37382  1362.504 21.85467 1382.741 22.09847 -20.23669      31.08004 
1 1 1 15  7  6  o 681.2264 12.96788 109.2339       4.155560  106.0819       5.794548  112.5716       5.962762  671.0661 18.35629 691.2892 18.33658 -20.22314      25.94578 
1 1 1 15  7  7  o 1147.575 14.60734 310.0278       7.885362  308.9425       11.13693  311.1189       11.16630  1145.037 20.67648 1149.065 20.65833 -4.027954      29.22812 
1 1 1 15  7  8  o 945.3647 13.98128 210.3722       6.217500  212.9975       8.856939  207.8214       8.730176  950.8600 19.80149 939.2387 19.75958 11.62134       27.97391 
1 1 1 15  7  9  o 641.0623 15.97223 96.75961       4.816540  112.6338       8.380983  88.93113       5.885563  691.0721 25.78115 614.3814 20.36482 76.69067       32.85413 
1 1 1 15  7  10 o 540.5427 18.68575 68.82349       4.751271  69.26279       9.242549  68.66570       5.539217  539.9219 36.60711 539.7790 21.81540 0.1428833      42.61445 
1 1 1 15  7  11 o 650.1293 15.02936 99.51191       4.596313  104.4010       6.622354  94.96772       6.384507  665.5807 21.15156 634.7856 21.38115 30.79510       30.07560 
1 1 1 15  7  12 o 684.1082 15.37440 110.1990       4.947575  112.3480       6.949742  107.9907       7.045086  690.3823 21.39980 676.8110 22.12838 13.57129       30.78338 
1 1 1 15  7  13 o 1263.686 18.92240 376.2874       11.24825  370.3388       13.71213  388.5256       19.66773  1253.067 23.26277 1281.743 32.62000 -28.67566      40.06520 
1 1 1 15  7  14 o 960.4963 15.66887 217.2871       7.079500  226.8161       10.26135  208.6314       9.779844  980.6405 22.24465 940.5250 22.10509 40.11548       31.36016 
1 1 1 15  7  15 o 193.0366 43.67880 9.216307       3.873630  6.679684       4.513554  16.30797       7.546830  167.3749 51.92068 255.1905 63.19907 -87.81560      81.79168 
1 1 1 15  7  16 o 971.2732 16.23008 222.3011       7.415347  230.3336       10.59803  214.5969       10.37917  987.7579 22.80894 953.3663 23.14373 34.39160       32.49431 
1 1 1 15  7  17 o 805.7324 18.55803 153.1320       7.033834  145.0357       11.21221  158.3860       9.032237  782.2466 30.47039 818.7390 23.45204 -36.49237      38.45052 
1 1 1 15  7  18 o 235.8620 33.68428 13.49005       3.631111  10.34834       5.166837  16.55590       5.104071  203.2078 53.36683 259.5959 43.32436 -56.38809      68.73877 
1 1 1 15  7  19 f 1151.060 17.71427 312.8137       9.591589  332.2668       14.29269  296.8748       12.93745  1183.846 25.66550 1119.392 24.56954 64.45337       35.52999 
1 1 1 15  7  20 o 425.1055 22.36666 42.93267       4.456942  42.80295       6.242783  43.06754       6.365132  422.3636 31.65133 423.5316 32.18953 -1.168030      45.14391 
1 1 1 15  7  21 o 693.4248 18.45539 113.7741       6.019938  114.5917       8.408871  112.9144       8.622088  693.9470 25.75978 688.5792 26.61885 5.367737       37.04226 
1 1 1 15  7  22 o 641.9094 19.23313 97.66864       5.807551  87.80780       8.040562  108.4238       8.397282  605.9547 28.20830 674.0001 26.48558 -68.04547      38.69359 
1 1 1 15  7  23 o 586.1575 19.90153 81.60864       5.487444  80.05508       7.676120  83.23237       7.847556  577.6925 28.24722 589.0141 28.32301 -11.32159      40.00123 
1 1 1 15  7  24 o 114.9473 47.17201 1.476310       4.082328  0.4937575      6.531438  2.106241       5.229713  132.7886 57.31496 130.2824 53.41958 2.506210       78.34958 
1 1 1 15  7  25 o 324.5477 26.83948 25.53565       4.060758  24.88637       5.706901  26.20153       5.779343  315.1014 39.36028 323.7336 38.71910 -8.632172      55.21232 
1 1 1 15  7  26 o 214.7338 40.55749 11.83008       3.946610  8.260815       5.392867  15.94592       5.791086  176.5254 57.01171 244.5067 51.95260 -67.98134      77.13240 
1 1 1 15  7  27 o 291.9864 34.93033 21.31067       4.702477  16.24593       5.575077  33.79905       8.754371  247.1181 49.68242 355.6777 54.02277 -108.5596      73.39484 
1 1 1 15  7  28 o 235.9136 38.94850 14.28654       4.171434  16.21876       5.768722  12.16891       6.039165  244.4929 51.77070 207.6769 59.03073 36.81601       78.51645 
1 1 1 15  7  29 o 332.3813 34.81820 27.86006       5.363122  28.90135       6.315239  25.16647       10.15714  334.3940 41.00719 282.7174 75.10239 51.67661       85.56844 
1 1 1 15  7  30 o 226.0348 43.08411 13.66201       4.413781  5.454816       7.186363  18.63329       5.593015  155.1401 63.00073 261.9830 47.11639 -106.8429      78.67049 
1 1 1 15  7  31 o 90.21404 40.72818 -1.023536      3.673277  -1.527646      5.902532  -0.7048976     4.692717  110.7353 50.63121 103.1586 46.35263 7.576721       68.64464 
1 1 1 15  7  32 o 125.2509 48.81353 3.724408       4.145958  2.323425       5.915159  5.077290       5.812724  126.3223 54.53389 141.7185 56.97106 -15.39628      78.86474 
1 1 1 15  7  33 o 129.4619 48.67265 4.565284       4.023724  1.555886       5.463184  8.133176       5.948559  116.8313 51.38529 158.7109 59.27584 -41.87966      78.44790 
1 1 1 15  9  0  o 975.3217 14.53184 223.9627       6.667114  235.2854       12.92285  219.8558       7.782877  998.3643 27.51693 966.1475 17.12488 32.21674       32.41053 
1 1 1 15  9  1  o 729.5268 11.99209 125.2606       4.115338  143.7277       9.911582  121.4138       4.523703  780.3860 27.00003 718.1777 13.39038 62.20837       30.13808 
1 1 1 15  9  2  o 870.2344 14.99138 178.3015       6.136873  173.0975       11.08955  180.5987       7.367897  856.4059 27.52739 875.6333 17.88759 -19.22742      32.82870 
1 1 1 15  9  3  o 1660.076 17.73860 649.0697       13.85213  669.1439       29.20806  643.2444       15.73415  1681.711 36.92172 1652.267 20.24388 29.44458       42.10735 
1 1 1 15  9  4  o 756.5814 13.97789 134.7438       4.974698  135.0179       7.911754  134.5646       6.397595  756.8740 22.22183 755.8736 17.99278 1.000366       28.59283 
1 1 1 15  9  5  o 946.3436 15.10347 210.8349       6.723491  210.4697       8.296247  211.5339       11.47664  945.2914 18.65721 947.0673 25.76110 -1.775879      31.80764 
1 1 1 15  9  6  o 1273.523 15.19260 381.8182       9.101403  382.7633       12.87698  380.8748       12.86568  1274.508 21.47842 1271.356 21.51276 3.151611       30.39937 
1 1 1 15  9  7  o 946.9727 13.82954 211.0800       6.160478  201.6013       8.363868  222.3206       9.108096  925.1363 19.21906 971.4596 19.93121 -46.32330      27.68800 
1 1 1 15  9  8  o 953.0751 20.04029 213.9961       8.984634  213.9961       8.984634  0.000000       0.000000  953.0751 20.04029 ?        ?        0.000000       20.04029 
1 1 1 15  9  9  o 947.4048 14.39979 211.2976       6.417428  213.3257       9.175041  209.3551       8.979349  951.5091 20.49867 942.6327 20.25038 8.876404       28.81446 
1 1 1 15  9  10 o 986.2880 17.45314 229.1090       8.097418  250.7135       16.00492  221.6765       9.387518  1029.923 33.03542 969.8991 20.57571 60.02350       38.91913 
1 1 1 15  9  11 o 896.8529 17.66951 189.4662       7.454440  194.7979       14.28266  187.4701       8.739158  907.6320 33.45261 891.8560 20.83078 15.77600       39.40810 
1 1 1 15  9  12 o 971.4636 15.21361 222.2348       6.952295  226.1558       9.889078  218.4030       9.775957  979.4161 21.46442 962.4686 21.59253 16.94757       30.44600 
1 1 1 15  9  13 o 1054.970 15.73119 262.1358       7.806763  270.7092       11.23579  254.1338       10.85492  1071.329 22.29519 1038.021 22.23060 33.30811       31.48452 
1 1 1 15  9  14 o 605.7105 16.27926 86.43476       4.638410  88.99104       6.602215  83.94328       6.517999  614.1090 22.85467 596.4056 23.23289 17.70343       32.58992 
1 1 1 15  9  15 o 638.1517 16.40422 95.96460       4.924350  94.84212       6.936465  97.10513       6.992032  633.8014 23.26568 641.3275 23.17684 -7.526123      32.83988 
1 1 1 15  9  16 o 439.1039 23.50792 45.68230       4.838075  46.64593       5.770004  43.40072       8.878485  443.0822 27.82487 423.7620 45.23891 19.32025       53.11104 
1 1 1 15  9  17 o 573.4706 17.80047 77.58690       4.801886  79.88586       6.908473  75.43805       6.679119  581.0048 25.27744 564.6166 25.14758 16.38818       35.65599 
1 1 1 15  9  18 o 478.1658 20.02655 54.02754       4.504577  51.01942       6.331179  57.11144       6.410427  462.5551 29.24784 489.7751 27.93989 -27.21994      40.44841 
1 1 1 15  9  19 f 342.8958 25.29913 28.04851       4.051901  29.01313       5.920350  27.19855       5.557366  346.0943 36.93554 335.2792 35.78959 10.81509       51.43081 
1 1 1 15  9  20 o 759.3331 19.95265 136.5118       7.126926  139.0052       8.939952  132.1641       11.80510  764.8520 24.84783 742.5933 33.79475 22.25867       41.94640 
1 1 1 15  9  21 o 352.7912 25.32968 29.78947       4.175574  30.61340       5.978020  29.00452       5.834888  354.4801 36.36557 344.8948 36.52030 9.585236       51.53821 
1 1 1 15  9  22 o 753.4791 18.19108 134.5546       6.447614  129.9524       9.061056  139.2750       9.176650  737.5094 26.11812 763.7645 25.54203 -26.25507      36.53152 
1 1 1 15  9  23 o 150.8336 54.36782 5.139071       4.932421  6.578478       6.431003  3.082640       7.686770  169.3565 61.92042 155.5048 64.36600 13.85170       89.31473 
1 1 1 15  9  24 o 644.1440 19.36399 98.73656       5.867421  106.3796       8.716938  92.40511       7.933813  664.4792 27.88773 619.6482 27.21871 44.83099       38.96901 
1 1 1 15  9  25 o 114.8988 45.86646 2.026112       3.738982  4.947707       5.242868  -0.9976389     5.333740  149.2375 55.66634 112.8656 50.15084 36.37186       74.92562 
1 1 1 15  9  26 o 108.8866 49.21447 -1.855680      5.381343  -3.986326      8.252904  -0.2797265     7.097786  127.5966 58.89551 131.9314 58.27398 -4.334778      82.85250 
1 1 1 15  9  27 o 175.6935 47.08163 8.218695       3.969973  3.817585       5.299934  13.84499       5.992401  139.7143 54.97364 223.7218 56.82980 -84.00751      79.06786 
1 1 1 15  9  28 o 213.2756 40.73303 11.84231       3.937523  8.853215       5.434773  15.14483       5.712605  179.0680 57.17010 234.8793 52.96696 -55.81136      77.93536 
1 1 1 15  9  29 o 113.2111 47.17114 1.563405       4.167703  -6.712248      6.839819  6.450502       5.256165  104.1195 49.73958 156.7393 56.16333 -52.61987      75.02230 
1 1 1 15  9  30 o 272.5792 33.58598 18.93064       4.215364  15.52616       6.626606  21.24469       5.463257  227.4203 60.77927 282.9284 42.35166 -55.50810      74.07957 
1 1 1 15  9  31 o 101.0818 43.11889 0.9027913      3.616555  8.148039       5.980067  -3.275198      4.541121  165.7349 59.84464 89.80240 42.18792 75.93251       73.22022 
1 1 1 15  9  32 o 81.05357 40.01403 -9.527349      5.529107  0.000000       0.000000  -9.527349      5.529107  ?        ?        81.05357 40.01403 0.000000       40.01403 
1 1 1 15  9  33 o 158.8201 52.06507 7.909239       4.489438  9.848395       6.560029  6.200951       6.157152  168.0650 62.35056 144.4429 58.43430 23.62212       85.45267 
1 1 1 15  11 0  o 1605.159 25.10138 607.5536       18.95330  607.5536       18.95330  0.000000       0.000000  1605.159 25.10138 ?        ?        0.000000       25.10138 
1 1 1 15  11 1  o 1241.534 16.19450 362.9221       9.457915  383.4721       18.59103  355.7464       10.98579  1274.413 31.01160 1228.955 19.00316 45.45801       36.37086 
1 1 1 15  11 2  o 605.4868 12.44843 86.28123       3.545592  76.78360       7.869054  88.70058       3.971588  569.6276 29.46803 613.8753 13.75355 -44.24774      32.51961 
1 1 1 15  11 3  o 875.9257 13.11737 180.5799       5.404846  178.3591       11.49770  181.2099       6.123614  869.4606 28.11200 877.3687 14.83735 -7.908081      31.78729 
1 1 1 15  11 4  f 489.2445 14.59311 56.34539       3.358482  58.68015       7.404768  55.74071       3.768378  497.4869 31.80820 486.5561 16.46464 10.93088       35.81684 
1 1 1 15  11 5  o 739.3723 12.82334 128.6629       4.459989  130.9256       6.292949  126.3793       6.321904  745.6091 17.94212 732.5278 18.34655 13.08124       25.66156 
1 1 1 15  11 6  o 1927.063 19.71984 874.8395       17.87593  867.9734       25.00855  882.0125       25.56127  1917.985 27.71877 1933.348 28.10626 -15.36292      39.47521 
1 1 1 15  11 7  o 928.9711 13.79567 203.1407       6.028569  202.4857       8.472632  203.8123       8.579745  927.1020 19.42771 930.1200 19.60948 -3.018005      27.60376 
1 1 1 15  11 8  o 853.3394 15.31486 171.4496       6.147581  184.3639       10.21664  164.1199       7.696931  884.1686 24.56426 834.6211 19.60464 49.54755       31.42841 
1 1 1 15  11 9  o 633.0145 14.30740 94.33721       4.260333  102.5477       6.122142  86.62778       5.932380  659.7017 19.72816 606.2741 20.80131 53.42761       28.66870 
1 1 1 15  11 10 o 476.6273 16.07833 53.50029       3.604865  55.24688       5.130770  51.79755       5.065947  484.0447 22.53345 468.6670 22.97878 15.37772       32.18354 
1 1 1 15  11 11 o 607.2139 21.84271 86.94217       6.239038  0.000000       0.000000  86.94217       6.239038  ?        ?        607.2139 21.84271 0.000000       21.84271 
1 1 1 15  11 12 o 529.8654 18.86003 66.17132       4.700859  68.01551       6.043881  63.34721       7.479174  536.8596 23.93238 516.6248 30.91782 20.23486       39.09821 
1 1 1 15  11 13 o 1145.285 16.02295 309.0182       8.632277  305.4974       12.11024  312.6548       12.30792  1137.808 22.62634 1151.042 22.73130 -13.23389      32.07278 
1 1 1 15  11 14 o 621.9918 16.25460 91.16753       4.755873  89.98634       6.606220  92.43832       6.852160  617.3836 22.74724 625.6828 23.28113 -8.299194      32.54916 
1 1 1 15  11 15 o 1222.266 16.82115 352.2049       9.671427  346.3801       13.43820  358.4639       13.92998  1210.737 23.59511 1231.565 24.04494 -20.82800      33.68811 
1 1 1 15  11 16 o 551.4603 19.43343 71.79192       5.041190  68.46017       7.575206  74.44038       6.753908  536.2949 30.14998 560.7783 25.60322 -24.48340      39.55434 
1 1 1 15  11 17 f 775.8412 16.58193 142.0286       6.051699  145.9697       8.570945  138.1105       8.545899  785.3304 23.20102 763.7746 23.78610 21.55579       33.22748 
1 1 1 15  11 18 o 146.7873 44.60375 5.247486       3.352068  4.226753       4.738690  6.269814       4.742392  144.7880 53.11987 162.7737 53.51905 -17.98576      75.40563 
1 1 1 15  11 19 o 515.6019 21.29704 62.98799       5.165389  57.70765       6.386165  72.97860       8.784255  491.5164 27.73386 550.8641 34.06652 -59.34763      43.92829 
1 1 1 15  11 20 o 307.2653 32.08367 22.87078       4.568924  27.20571       9.665037  21.62327       5.184836  322.1856 65.99139 296.9465 37.98909 25.23907       76.14482 
1 1 1 15  11 21 o 241.3152 34.22110 14.30712       3.775789  11.00046       5.336371  17.62223       5.343181  205.8846 54.31497 264.8308 44.46662 -58.94617      70.19541 
1 1 1 15  11 22 o 265.2171 31.80399 17.19751       3.888688  19.35578       5.743878  15.37117       5.283761  276.4054 45.77851 244.9983 47.56200 31.40709       66.01375 
1 1 1 15  11 23 o 208.5052 39.53935 11.00582       3.736163  12.51371       5.219735  9.421650       5.350142  218.2359 51.64902 189.1598 56.09876 29.07614       76.25413 
1 1 1 15  11 24 o 296.9798 35.70450 21.88674       4.887952  26.32558       5.915812  12.33650       8.677341  324.2018 39.61495 212.1710 72.43537 112.0307       82.56045 
1 1 1 15  11 25 o 216.6653 41.24882 12.04268       4.050509  10.70923       5.353256  13.82850       6.195079  199.1926 55.21512 224.9647 58.12603 -25.77211      80.17073 
1 1 1 15  11 26 o 643.4120 23.66541 99.53017       7.162630  99.49019       8.711818  99.61356       12.58288  639.8462 28.94436 627.1483 42.90990 12.69788       51.75940 
1 1 1 15  11 27 o 144.8158 52.58598 5.017179       4.626794  9.396552       8.887551  3.389044       5.419028  188.7430 72.01368 137.2136 55.06155 51.52940       90.65178 
1 1 1 15  11 28 o 275.2774 37.02687 19.30877       4.673051  12.85077       7.493595  23.41833       5.977766  208.0982 67.20422 299.2845 43.75282 -91.18628      80.19175 
1 1 1 15  11 29 o 408.5785 25.89596 40.92539       4.951371  37.06897       8.175007  43.15970       6.222546  371.3211 47.92073 415.1742 32.11135 -43.85303      57.68480 
1 1 1 15  11 30 o 239.2417 46.61217 15.75906       5.057148  16.02259       6.777726  15.42806       7.595749  228.8602 61.59742 219.2968 67.24373 9.563354       91.19189 
1 1 1 15  11 31 o 125.6421 48.45456 3.762872       4.052252  1.319560       5.540795  6.572533       5.941686  119.3693 52.14272 152.8817 58.74989 -33.51235      78.55198 
1 1 1 15  11 32 o 87.18468 39.85997 -1.216576      3.657331  0.4907848      4.981256  -3.213437      5.387039  108.7584 48.38900 96.74617 45.60413 12.01224       66.49235 
1 1 1 15  13 0  o 1544.757 19.27791 562.1525       14.00843  558.1650       17.94620  568.3710       22.41144  1538.464 24.79796 1551.372 30.71033 -12.90833      39.47231 
1 1 1 15  13 1  o 640.6924 11.46847 96.60134       3.456403  97.11654       8.493516  96.49908       3.783890  641.4919 28.14667 640.3172 12.56244 1.174744       30.82288 
1 1 1 15  13 2  o 1089.160 13.26945 279.2227       6.798515  283.0559       15.17625  278.2604       7.604193  1094.988 29.46360 1087.177 14.86906 7.811279       33.00292 
1 1 1 15  13 3  o 525.2506 13.13493 64.93761       3.245367  54.54816       7.328837  67.47183       3.619597  479.3763 32.69557 535.3622 14.37286 -55.98593      35.71526 
1 1 1 15  13 4  f 763.3243 13.20609 137.1481       4.741903  147.9489       10.73914  134.5323       5.285018  791.6708 28.83735 755.9326 14.86258 35.73822       32.44209 
1 1 1 15  13 5  o 1058.206 14.51260 263.6271       7.224112  249.6433       14.73114  268.0549       8.289295  1028.105 30.45997 1066.906 16.51665 -38.80127      34.64981 
1 1 1 15  13 6  o 354.6867 15.58808 29.62223       2.600799  29.22234       3.494305  30.11891       3.894289  351.4774 21.23431 356.6412 23.34155 -5.163818      31.55509 
1 1 1 15  13 7  o 669.3458 14.52829 105.4829       4.574402  104.6076       6.937675  106.1562       6.084354  666.1152 22.14090 671.2195 19.26995 -5.104248      29.35218 
1 1 1 15  13 8  o 989.7777 14.13846 230.6500       6.582777  239.2144       9.377352  222.3293       9.243007  1007.498 19.78639 971.2468 20.23086 36.25165       28.29821 
1 1 1 15  13 9  o 674.6388 13.92147 107.1602       4.418002  109.4198       6.168089  104.7796       6.331095  681.3921 19.24351 666.7209 20.18670 14.67114       27.88935 
1 1 1 15  13 10 o 1004.211 14.66231 237.4799       6.926225  240.2218       9.758286  234.6962       9.832457  1009.389 20.55161 997.6646 20.95116 11.72418       29.34825 
1 1 1 15  13 11 o 508.1037 17.09838 60.83306       4.086737  62.30988       5.086983  58.14507       6.862952  513.9925 21.03944 494.9754 29.61119 19.01712       36.32465 
1 1 1 15  13 12 o 224.1476 37.56549 12.24742       3.820736  25.00298       7.773514  8.184409       4.387245  318.7497 53.75642 182.0670 49.79202 136.6827       73.27344 
1 1 1 15  13 13 o 1067.458 15.75742 268.5250       7.912347  275.5901       11.19110  261.4632       11.18839  1080.411 22.01985 1052.249 22.60372 28.16235       31.55633 
1 1 1 15  13 14 o 192.8776 34.42046 9.101684       3.008413  10.91887       4.190576  7.169160       4.321521  209.8793 43.85894 171.1149 50.33090 38.76447       66.75932 
1 1 1 15  13 15 o 697.9121 17.77187 114.9412       5.834494  109.5125       8.583743  119.6033       7.954572  679.7963 26.84285 710.9983 23.78367 -31.20197      35.86365 
1 1 1 15  13 16 o 425.3828 19.73720 42.76189       3.949433  47.51834       5.585015  38.00433       5.585670  446.7657 26.69727 398.6995 30.00238 48.06622       40.16076 
1 1 1 15  13 17 o 946.4268 19.54849 211.8200       8.703012  224.4549       10.64538  186.3555       15.11273  973.1538 23.25467 881.8430 36.43195 91.31079       43.22114 
1 1 1 15  13 18 o 1165.529 22.46697 322.1664       12.31791  325.2081       17.20228  318.9655       17.64653  1166.474 31.35028 1154.543 32.49227 11.93152       45.15072 
1 1 1 15  13 19 o 447.2857 22.96441 47.64846       4.815518  48.25491       6.205033  46.73009       7.635790  448.3032 29.59051 438.4826 37.37648 9.820648       47.67179 
1 1 1 15  13 20 o 456.5167 20.89391 49.48798       4.486893  43.64095       6.179823  56.00661       6.525096  425.1875 31.11377 482.7610 28.86559 -57.57352      42.44160 
1 1 1 15  13 21 o 428.3123 37.48936 44.97957       7.477261  38.43639       10.51816  51.66469       10.63164  383.6885 60.26234 451.8481 50.90631 -68.15955      78.88601 
1 1 1 15  13 22 f 313.0287 28.87717 23.78028       4.204207  20.65696       6.403353  26.14683       5.573869  283.0966 49.90810 325.2313 37.09678 -42.13470      62.18512 
1 1 1 15  13 23 o 136.2009 46.39149 4.427635       3.559198  3.999452       4.809719  4.945927       5.291658  139.9588 53.07790 150.2918 55.95134 -10.33292      77.12208 
1 1 1 15  13 24 o 122.7428 45.47474 3.159829       3.487180  3.690418       4.765577  2.548265       5.116316  136.7365 52.59855 131.2581 53.20852 5.478439       74.81814 
1 1 1 15  13 25 o 124.6743 46.48149 3.272133       3.654599  0.2884698      4.844320  7.213257       5.567600  114.2070 49.32746 168.0364 57.99717 -53.82943      76.13718 
1 1 1 15  13 26 o 478.2495 21.99229 54.87920       4.947597  48.94675       6.577770  62.60840       7.508077  446.0568 31.55226 504.5515 31.79664 -58.49463      44.79477 
1 1 1 15  13 27 o 273.4155 31.49650 18.60671       3.976875  24.69141       5.668633  12.70932       5.580699  310.7688 39.68273 213.7594 55.13806 97.00932       67.93324 
1 1 1 15  13 28 o 353.7059 28.72255 30.90402       4.737697  38.94173       8.498746  27.28003       5.706660  381.6533 48.42860 326.5425 37.85327 55.11078       61.46705 
1 1 1 15  13 29 o 193.7443 43.06435 10.14855       3.823037  10.92152       5.931208  9.599156       5.000368  191.7759 59.52329 182.6566 54.24858 9.119232       80.53528 
1 1 1 15  13 30 o 355.9674 29.78057 31.90938       4.940877  39.80381       7.277939  25.16052       6.729191  387.4108 40.53651 299.3694 49.51532 88.04138       63.99200 
1 1 1 15  13 31 o 192.9734 57.49385 11.73306       5.609954  11.73306       5.609954  0.000000       0.000000  192.9734 57.49385 ?        ?        0.000000       57.49385 
1 1 1 15  15 0  o 563.9136 12.31050 74.84992       3.265558  76.09807       5.967792  74.31647       3.901486  568.1064 22.33133 561.8079 14.76294 6.298523       26.77000 
1 1 1 15  15 1  o 285.0609 16.41849 19.20123       2.192298  19.16171       5.599206  19.20838       2.382513  280.8531 43.81154 284.9936 17.86204 -4.140503      47.31282 
1 1 1 15  15 2  o 778.4730 11.76120 142.6344       4.306895  170.6005       11.48804  138.0609       4.645736  849.9302 28.73382 765.8376 12.89581 84.09253       31.49498 
1 1 1 15  15 3  o 968.6981 12.86500 220.8903       5.862294  227.8538       13.80843  219.3592       6.474761  982.0583 29.89082 965.2435 14.25993 16.81482       33.11808 
1 1 1 15  15 4  o 298.9943 18.30022 21.14109       2.561493  17.41677       6.617238  21.79751       2.778071  265.3670 54.82421 303.5033 19.56275 -38.13626      58.20993 
1 1 1 15  15 5  o 322.5110 18.43697 24.58749       2.785461  19.53329       6.706990  25.64094       3.062019  281.7779 52.53271 329.2394 19.86394 -47.46152      56.16282 
1 1 1 15  15 6  o 601.1008 16.70468 85.11291       4.723401  0.000000       0.000000  85.11291       4.723401  ?        ?        601.1008 16.70468 0.000000       16.70468 
1 1 1 15  15 7  o 735.5063 16.59113 127.4376       5.740262  123.1570       11.10722  128.9976       6.705104  721.4047 32.73083 739.7910 19.26758 -18.38623      37.98088 
1 1 1 15  15 8  o 1442.162 16.45646 489.9848       11.16400  483.4481       15.41547  497.1944       16.18952  1431.409 22.89411 1451.448 23.71172 -20.03992      32.96037 
1 1 1 15  15 9  o 1564.330 17.47218 576.7194       12.85715  567.9070       17.79058  586.3540       18.60207  1550.864 24.38637 1575.670 25.09729 -24.80566      34.99384 
1 1 1 15  15 10 o 419.4049 17.13006 41.45892       3.379572  40.74747       4.067923  43.04400       6.071896  415.0572 20.90210 425.3011 30.55359 -10.24390      37.01918 
1 1 1 15  15 11 o 1099.466 15.17970 284.8369       7.850809  265.6604       10.30807  311.3256       12.11495  1060.987 20.65370 1148.214 22.43002 -87.22668      30.49067 
1 1 1 15  15 12 o 173.6487 34.91262 7.420269       2.752950  2.161311       3.491520  16.06217       4.475786  116.5891 44.97338 256.9657 38.18884 -140.3766      58.99993 
1 1 1 15  15 13 f 935.3720 18.83193 206.5260       8.286068  184.0666       14.77119  216.8385       10.00924  878.9454 35.72600 957.7655 22.21634 -78.82013      42.07033 
1 1 1 15  15 14 f 114.4018 42.06293 2.526915       2.973575  6.715220       4.112030  -2.064049      4.305156  165.4012 49.21049 98.09993 44.20835 67.30132       66.15173 
1 1 1 15  15 15 o 153.7659 57.94002 4.462015       5.708068  -3.909037      8.073893  12.82699       8.070963  132.3905 60.01941 225.3426 69.35156 -92.95204      91.71679 
1 1 1 15  15 16 o 311.2639 32.18658 23.37790       4.644660  23.37790       4.644660  0.000000       0.000000  311.2639 32.18658 ?        ?        0.000000       32.18658 
1 1 1 15  15 17 o 1063.468 23.46991 268.5255       11.74100  268.5255       11.74100  0.000000       0.000000  1063.468 23.46991 ?        ?        0.000000       23.46991 
1 1 1 15  15 18 o 241.8204 37.58489 14.43755       4.136562  19.11750       4.839908  1.753865       7.967817  278.8805 37.87320 153.4042 64.65404 125.4763       74.93013 
1 1 1 15  15 19 o 240.6428 30.68916 14.11492       3.394891  17.87912       4.807335  10.37017       4.794892  268.6310 39.19777 200.5277 50.77929 68.10330       64.14828 
1 1 1 15  15 20 f 181.6514 39.45419 8.351355       3.274810  12.14225       4.394750  3.618214       4.910636  218.3718 44.29749 138.9882 53.41006 79.38368       69.38949 
1 1 1 15  15 21 o 102.7254 42.80763 0.8092510      3.432934  1.239299       4.899923  0.3946537      4.811098  121.8969 50.99887 115.8402 49.58146 6.056679       71.12810 
1 1 1 15  15 22 o 134.5543 51.77626 3.457756       4.618879  -2.230975      8.976271  5.506454       5.386755  141.4167 63.77200 155.4220 56.69419 -14.00531      85.32936 
1 1 1 15  15 23 o 329.0257 25.21239 26.13649       3.872543  25.41487       5.286282  26.97228       5.689082  320.3530 35.68588 329.3408 37.38445 -8.987823      51.68249 
1 1 1 15  15 24 o 311.3830 30.15766 23.74478       4.361996  25.75628       5.477730  20.25862       7.211308  321.3723 36.90397 273.5835 57.84317 47.78882       68.61295 
1 1 1 15  15 25 o 276.6791 30.52030 18.87005       3.906125  27.60672       5.522010  10.12018       5.526181  332.5669 35.86547 192.4964 56.99728 140.0704       67.34258 
1 1 1 15  15 26 o 231.2845 43.56681 13.98995       4.566037  14.09929       6.148716  13.85553       6.817674  224.4668 57.86430 219.9308 62.79207 4.536041       85.38806 
1 1 1 15  15 27 o 143.3969 47.63620 5.330045       3.753570  9.337099       5.835405  2.501939       4.902372  182.0497 59.34334 126.2807 51.74303 55.76897       78.73355 
1 1 1 15  15 28 o 392.3462 25.30208 37.70956       4.644869  36.53389       7.601439  38.41010       5.867764  371.4182 44.38672 391.2684 32.16555 -19.85025      54.81609 
1 1 1 15  15 29 o 275.7148 29.26958 19.10220       3.738120  21.55470       6.218515  17.71455       4.677600  278.0495 49.35147 258.7745 39.69358 19.27499       63.33362 
1 1 1 15  15 30 o 90.68079 40.64478 -0.6032829     3.584481  -2.592152      4.908689  1.668847       5.246612  95.85445 44.64712 118.9347 51.35217 -23.08023      68.04712 
1 1 1 15  17 0  o 953.6573 17.23892 214.2961       7.733423  0.000000       0.000000  214.2961       7.733423  ?        ?        953.6573 17.23892 0.000000       17.23892 
1 1 1 15  17 1  o 894.5915 16.54416 188.5448       6.962075  0.000000       0.000000  188.5448       6.962075  ?        ?        894.5915 16.54416 0.000000       16.54416 
1 1 1 15  17 2  o 1092.607 13.32232 281.0870       6.847200  296.1950       16.19995  277.8009       7.555243  1118.944 30.77768 1086.064 14.78848 32.88037       34.14623 
1 1 1 15  17 3  o 655.8417 11.54449 101.2510       3.561585  114.5065       9.829684  99.24777       3.821238  695.7834 30.03282 649.2744 12.51142 46.50909       32.53469 
1 1 1 15  17 4  o 640.5629 14.31397 96.63514       4.313118  97.20572       9.484655  96.48639       4.842822  640.8372 31.46332 639.9590 16.08707 0.8781738      35.33744 
1 1 1 15  17 5  o 749.5710 17.23331 132.4111       6.076461  0.000000       0.000000  132.4111       6.076461  ?        ?        749.5710 17.23331 0.000000       17.23331 
1 1 1 15  17 6  o 727.5505 16.48377 124.7364       5.641426  119.5601       10.77029  126.6936       6.622603  710.3878 32.23017 732.9865 19.20717 -22.59863      37.51932 
1 1 1 15  17 7  o 855.7786 17.75354 172.6557       7.146865  174.1379       12.93138  172.0038       8.575594  857.1745 32.07053 853.7149 21.35414 3.459595       38.52945 
1 1 1 15  17 8  o 278.9334 27.87611 18.59398       3.608667  18.68014       7.797037  18.57049       4.070922  272.4424 62.20679 278.1141 31.68269 -5.671722      69.81030 
1 1 1 15  17 9  o 710.8396 20.96971 119.3055       7.011860  129.3103       11.86902  113.9417       8.690520  737.6865 34.20376 693.8580 26.62599 43.82843       43.34560 
1 1 1 15  17 10 o 688.4857 13.83604 111.6945       4.481011  110.2095       5.912110  113.6993       6.869274  683.4098 18.39043 693.7955 21.04796 -10.38574      27.95040 
1 1 1 15  17 11 o 792.9224 14.05585 148.1888       5.242724  144.2370       6.980544  153.3022       7.940545  781.6010 18.98606 805.4512 20.95761 -23.85022      28.27883 
1 1 1 15  17 12 o 225.7064 25.56762 12.22583       2.666701  12.75165       3.477812  11.47556       4.154285  229.0579 33.24826 215.0108 42.58022 14.04712       54.02335 
1 1 1 15  17 13 o 696.2861 15.92614 114.4108       5.216360  116.5280       7.750383  112.6576       7.052937  701.3233 23.49284 689.9385 21.73153 11.38483       32.00270 
1 1 1 15  17 14 o 561.4456 20.94929 74.61965       5.532817  73.69204       11.45856  74.90167       6.318162  550.0670 44.66967 561.9614 23.90094 -11.89441      50.66196 
1 1 1 15  17 15 o 1013.746 15.80625 242.7059       7.537503  237.5231       10.25096  248.8063       11.12144  1001.027 21.76955 1024.034 23.08754 -23.00623      31.73244 
1 1 1 15  17 16 o 590.5884 16.05039 82.42673       4.459023  79.96185       5.978046  85.51796       6.694643  580.5112 21.89170 599.8824 23.72422 -19.37128      32.28134 
1 1 1 15  17 17 o 814.8777 15.96478 157.0020       6.119623  156.8886       8.394756  157.1306       8.939846  812.6871 21.95914 812.7775 23.38240 -0.9039307E-01 32.07711 
1 1 1 15  17 18 o 637.9767 16.50671 96.33182       4.953757  99.15085       6.881196  93.29918       7.137154  645.4627 22.66332 625.5947 24.25284 19.86804       33.19377 
1 1 1 15  17 19 o 300.1667 29.10428 21.83635       4.057863  20.52673       4.636392  26.12366       8.388780  289.1242 34.78819 315.8524 58.61879 -26.72812      68.16437 
1 1 1 15  17 20 o 396.0796 22.18148 37.51195       4.116162  34.00714       5.869229  40.90418       5.774199  373.0116 33.81710 410.9003 30.08260 -37.88867      45.26101 
1 1 1 15  17 21 o 252.3920 29.56867 15.56129       3.444034  12.67424       4.498316  19.65091       5.353827  222.2759 44.57308 279.2283 42.06554 -56.95235      61.28841 
1 1 1 15  17 22 o 329.6979 24.28116 26.17920       3.739278  24.87300       4.969562  27.88378       5.677055  317.8888 33.74951 335.5174 36.56172 -17.62866      49.75730 
1 1 1 15  17 23 o 391.4076 24.65688 36.93198       4.516594  29.76372       5.473452  52.22949       7.995853  347.3770 33.92902 458.8987 37.36510 -111.5216      50.47107 
1 1 1 15  17 24 o 96.03510 40.81993 0.4031779      3.220213  9.163693       4.541838  -8.452343      4.566399  185.1455 50.67317 75.97327 37.28092 109.1723       62.90976 
1 1 1 15  17 25 o 138.5600 44.02139 4.902108       3.225359  8.152631       4.469802  1.370954       4.658756  174.0173 51.18781 118.0296 49.57508 55.98766       71.25925 
1 1 1 15  17 26 o 192.9636 50.98500 10.23003       4.697395  13.88526       6.106386  4.931630       7.351895  221.1835 57.98217 156.2610 63.61953 64.92250       86.07774 
1 1 1 15  17 27 o 137.9206 45.49578 4.960778       3.426039  8.228300       5.640587  3.050606       4.312720  171.1730 58.40108 124.8799 49.44559 46.29310       76.52158 
1 1 1 15  17 28 o 154.7330 44.42148 6.565323       3.403002  0.7818074      5.272490  10.69484       4.455225  116.6727 50.91737 195.0961 48.69843 -78.42339      70.45648 
1 1 1 15  17 29 o 200.1857 56.34840 12.16706       5.530709  0.000000       0.000000  12.16706       5.530709  ?        ?        200.1857 56.34840 0.000000       56.34840 
1 1 1 15  19 0  o 723.4084 12.87301 123.2581       4.380594  142.1294       7.876129  114.8057       5.271107  775.8315 21.58122 697.8926 16.05624 77.93896       26.89892 
1 1 1 15  19 1  o 741.8519 16.79741 129.7507       5.861772  134.2122       7.808245  123.9893       8.873062  753.8537 22.01897 723.9831 26.05409 29.87061       34.11232 
1 1 1 15  19 2  o 437.1073 14.50207 45.01884       2.981861  56.00476       7.922286  43.20560       3.218547  484.2183 35.01698 428.1317 15.98134 56.08658       38.49145 
1 1 1 15  19 3  o 848.8755 12.20204 169.7030       4.872432  179.3698       12.71247  168.0383       5.275294  869.6376 31.07580 844.6013 13.27778 25.03625       33.79356 
1 1 1 15  19 4  o 490.2641 14.88052 56.64489       3.431764  0.000000       0.000000  56.64489       3.431764  ?        ?        490.2641 14.88052 0.000000       14.88052 
1 1 1 15  19 5  o 786.5807 14.38671 145.8022       5.323217  151.2485       11.76833  144.4012       5.968746  798.2603 31.34015 782.5888 16.21363 15.67145       35.28579 
1 1 1 15  19 6  o 423.4818 15.25901 42.27646       3.039698  41.02259       7.691821  42.50852       3.309051  412.5283 40.14613 424.5560 16.56911 -12.02774      43.43095 
1 1 1 15  19 7  o 157.4947 37.96294 6.154649       2.779548  4.527349       6.511642  6.517219       3.073638  160.8433 61.57585 161.9605 40.46080 -1.117233      73.67945 
1 1 1 15  19 8  o 367.0174 28.39330 32.15126       4.863846  19.18847       7.692644  40.78478       6.277987  274.9870 61.06011 412.7493 32.59975 -137.7623      69.21763 
1 1 1 15  19 9  o 370.2461 23.84901 32.59202       4.131556  45.98692       8.482042  28.42534       4.730703  435.7657 41.89518 344.6449 29.46310 91.12076       51.21798 
1 1 1 15  19 10 o 145.6218 44.09344 5.156311       3.280037  1.698870       7.086626  6.098932       3.700247  147.9513 61.56678 157.5262 46.63916 -9.574829      77.23781 
1 1 1 15  19 11 o 528.6760 14.34062 65.92672       3.566374  64.48070       4.636237  68.02251       5.581518  522.3003 18.87018 535.9552 22.13882 -13.65491      29.08971 
1 1 1 15  19 12 o 532.0378 14.74812 66.79714       3.691038  76.36998       5.076200  56.05787       5.376573  568.2700 18.98955 486.1630 23.51009 82.10699       30.22131 
1 1 1 15  19 13 o 186.0277 28.49394 8.431331       2.414020  5.895058       3.038172  12.77459       3.975782  153.5182 41.20773 227.3420 38.55453 -73.82376      56.43163 
1 1 1 15  19 14 o 438.6138 16.52055 45.47427       3.408601  43.15363       4.464014  48.71928       5.278748  425.8262 22.36386 451.8998 24.92887 -26.07361      33.49016 
1 1 1 15  19 15 o 450.7363 16.99641 48.06156       3.603704  43.40911       4.704366  54.66888       5.606258  426.6109 23.53330 478.4919 24.99419 -51.88098      34.32967 
1 1 1 15  19 16 o 627.5424 17.24732 93.23007       5.091362  93.99506       6.429819  91.94413       8.336466  628.9119 21.73400 619.6882 28.59825 9.223694       35.91972 
1 1 1 15  19 17 o 252.4663 24.76381 15.34948       2.903110  13.72376       3.745882  17.79464       4.593933  235.8693 34.80679 268.3040 37.41724 -32.43469      51.10344 
1 1 1 15  19 18 o 134.0243 40.22163 4.462191       2.738237  6.088409       3.568757  2.134376       4.269743  155.1535 45.76665 122.2068 48.93324 32.94674       67.00037 
1 1 1 15  19 19 o 118.1796 41.36135 3.123550       2.836415  -0.9026988     3.754207  8.478674       4.329648  95.53237 42.27952 180.8824 49.46246 -85.35001      65.06990 
1 1 1 15  19 20 o 130.8832 45.82455 3.918298       3.481737  4.729837       3.951010  1.097800       7.365742  141.6134 48.85816 142.7341 61.22736 -1.120758      78.33205 
1 1 1 15  19 21 o 540.4420 17.82729 69.38283       4.532144  70.15607       6.234566  68.51631       6.599862  541.0758 24.49508 533.9716 26.27528 7.104248       35.92213 
1 1 1 15  19 22 o 282.6709 27.55072 19.45131       3.616825  15.94516       4.362385  27.16112       6.468898  251.7959 38.01408 327.2749 43.06499 -75.47897      57.44270 
1 1 1 15  19 23 o 283.1411 26.36906 19.50987       3.471713  19.69504       4.680352  19.28335       5.176547  280.4077 36.33743 275.0719 41.28006 5.335815       54.99502 
1 1 1 15  19 24 o 455.0374 19.03962 49.45903       4.075441  47.61195       5.776009  51.29026       5.751161  441.7822 27.93785 459.2717 26.73619 -17.48956      38.66972 
1 1 1 15  19 25 o 142.4132 44.92962 5.279353       3.364357  8.326398       5.262524  3.173174       4.375243  174.0990 56.32797 127.5013 50.01835 46.59764       75.33044 
1 1 1 15  19 26 o 93.95917 39.82809 0.5925292      3.051597  1.094530       5.036494  0.3013402      3.835867  117.9243 50.60831 101.2435 43.81083 16.68089       66.93721 
1 1 1 15  19 27 o 164.5520 48.86095 7.569610       4.056804  2.619204       4.835225  19.34007       7.455779  124.3453 51.21928 252.1218 63.03413 -127.7765      81.22018 
1 1 1 15  21 0  o 385.0712 18.00091 35.00957       3.260655  41.01983       5.240443  31.21284       4.165105  414.9716 26.99286 362.1753 24.59343 52.79633       36.51645 
1 1 1 15  21 1  o 250.2796 20.10261 14.89736       2.346753  8.798162       4.378897  17.35500       2.779635  187.3536 49.09388 269.9768 22.08051 -82.62328      53.83083 
1 1 1 15  21 2  o 128.8529 28.47971 4.095109       1.680298  -3.350179      5.650882  4.817257       1.759902  109.1751 49.77082 140.0816 27.68930 -30.90644      56.95464 
1 1 1 15  21 3  o 338.3495 14.44958 26.99362       2.299800  0.000000       0.000000  26.99362       2.299800  ?        ?        338.3495 14.44958 0.000000       14.44958 
1 1 1 15  21 4  o 516.8613 13.53404 62.97468       3.290567  72.26517       8.581886  61.37337       3.562881  549.5777 33.35366 510.1308 14.84740 39.44687       36.50906 
1 1 1 15  21 5  o 551.5951 13.53207 71.72822       3.511187  64.92271       8.354846  73.18800       3.869483  520.4219 34.32088 557.0564 14.76673 -36.63446      37.36281 
1 1 1 15  21 6  o 415.7928 12.33721 40.74410       2.413032  37.48514       7.855672  41.08363       2.535618  392.1916 43.30319 417.4817 12.91151 -25.29010      45.18710 
1 1 1 15  21 7  f 263.6499 16.27451 16.47087       2.008520  22.93995       7.152070  15.91700       2.092737  302.8570 52.08007 259.0391 17.27339 43.81790       54.86987 
1 1 1 15  21 8  f 155.7944 29.19817 5.961634       2.061194  4.021998       7.054615  6.142669       2.155239  160.3183 63.31481 158.0315 30.09134 2.286728       70.10175 
1 1 1 15  21 9  o 133.2752 37.37053 4.388699       2.437502  9.239002       6.819873  3.678366       2.609894  194.6921 64.18775 124.5001 39.60392 70.19193       75.42240 
1 1 1 15  21 10 o 390.0504 23.92166 36.25217       4.367965  29.26278       7.927960  39.29856       5.234019  342.3147 50.77321 405.3176 27.61635 -63.00293      57.79776 
1 1 1 15  21 11 o 469.5001 28.49284 52.77095       6.262989  54.34008       9.334750  51.48633       8.446170  471.4715 42.54837 460.0735 39.40715 11.39804       57.99385 
1 1 1 15  21 12 o 288.4460 20.06001 19.81081       2.704920  21.15636       3.679186  18.22799       3.990407  296.7873 26.63701 274.1258 31.51912 22.66147       41.26724 
1 1 1 15  21 13 o 257.7597 20.31953 15.85269       2.443778  16.51367       3.156180  14.86322       3.861613  261.9616 25.95421 246.2881 34.25940 15.67349       42.98055 
1 1 1 15  21 14 o 436.8933 15.69326 45.13313       3.225208  40.27415       4.043254  53.63354       5.347843  411.3337 20.96576 473.9826 24.06434 -62.64893      31.91639 
1 1 1 15  21 15 o 165.0572 33.56824 6.796669       2.517597  5.412909       2.980749  10.24079       4.702555  146.7426 41.38867 199.2382 50.19794 -52.49556      65.06040 
1 1 1 15  21 16 f 361.4766 17.83629 30.96854       3.032872  31.57782       3.953364  30.09705       4.728127  363.3368 23.25264 353.1272 28.71215 10.20956       36.94689 
1 1 1 15  21 17 o 369.9371 24.29144 32.80426       4.203688  25.42212       9.072543  34.82235       4.743608  308.2876 64.62714 380.4702 26.67310 -72.18262      69.91510 
1 1 1 15  21 18 o 416.1171 17.16476 41.05019       3.359871  36.79364       4.274484  47.93186       5.435025  391.9946 23.28569 446.6608 25.97972 -54.66617      34.88795 
1 1 1 15  21 19 o 352.8415 19.90995 29.71029       3.291103  22.59707       4.146358  41.82264       5.410634  304.8881 29.27036 416.1638 27.79842 -111.2757      40.36715 
1 1 1 15  21 20 o 99.83267 38.70922 1.677923       2.596984  1.492869       3.281818  1.987923       4.247631  106.0477 42.74552 120.0351 48.54353 -13.98740      64.68117 
1 1 1 15  21 21 o 264.4618 31.00492 17.20601       3.783923  13.28535       4.111913  38.88229       9.668447  228.7156 39.65629 384.1672 55.07746 -155.4515      67.86861 
1 1 1 15  21 22 f 194.8293 32.62668 9.513289       2.884446  9.344229       3.930703  9.710557       4.245961  188.6490 44.93601 191.5092 47.38972 -2.860199      65.30721 
1 1 1 15  21 23 o 402.9913 19.19254 38.80786       3.638291  36.54109       5.001116  41.35632       5.302765  386.8963 27.66158 411.7739 27.53499 -24.87759      39.02997 
1 1 1 15  21 24 o 211.6820 29.34397 11.16341       2.843357  9.318341       4.021652  13.00750       4.020576  186.1465 46.15610 224.0862 39.58989 -37.93971      60.80908 
1 1 1 15  21 25 o 291.1580 25.30242 20.78967       3.430997  23.49287       5.528876  19.09675       4.375382  300.9199 40.05345 274.1352 34.70728 26.78464       52.99882 
1 1 1 15  21 26 o 247.1120 29.78797 15.35473       3.392813  16.19798       5.623701  14.87216       4.254259  239.7849 51.40208 237.6535 39.43746 2.131393       64.78802 
1 1 1 15  23 0  o 360.6023 17.03463 30.72351       2.889551  37.62228       4.985238  27.23317       3.545959  396.8257 26.86476 338.2174 22.41491 58.60825       34.98776 
1 1 1 15  23 1  o 381.3098 16.05646 34.33532       2.880031  33.49995       5.065616  34.73431       3.500909  373.8647 29.03138 382.6643 19.51366 -8.799591      34.98005 
1 1 1 15  23 2  o 763.9964 12.37994 137.6144       4.449172  133.3829       10.78778  138.4817       4.883884  747.5685 30.67692 766.2183 13.55013 -18.64972      33.53624 
1 1 1 15  23 3  o 285.2043 15.94843 19.26796       2.131081  0.000000       0.000000  19.26796       2.131081  ?        ?        285.2043 15.94843 0.000000       15.94843 
1 1 1 15  23 4  o 198.1770 22.27770 9.425477       2.040799  15.02378       6.126281  8.726686       2.164423  242.4593 54.98025 190.1275 24.79058 52.33183       60.31086 
1 1 1 15  23 5  o 289.3827 14.40951 19.76372       1.961513  29.69085       6.724991  18.84064       2.050681  348.0081 41.92402 282.0455 15.51612 65.96262       44.70317 
1 1 1 15  23 6  o 287.5656 14.50263 19.56834       1.955473  12.90725       6.415127  20.25067       2.053185  223.5960 59.82037 292.4910 14.97286 -68.89499      61.66574 
1 1 1 15  23 7  o 451.0004 12.92166 47.98078       2.741351  0.000000       0.000000  47.98078       2.741351  ?        ?        451.0004 12.92166 0.000000       12.92166 
1 1 1 15  23 8  o 500.7636 13.10596 59.16526       3.087244  58.68015       9.272512  59.22574       3.274041  490.6485 40.53822 500.9222 13.89455 -10.27368      42.85331 
1 1 1 15  23 9  o 321.8728 14.92889 24.47076       2.260379  28.02022       8.023431  24.16476       2.355798  332.9115 53.01219 319.7862 15.66063 13.12534       55.27700 
1 1 1 15  23 10 o 596.8666 13.64988 84.10017       3.832440  77.97266       10.69028  85.00381       4.105318  565.3541 40.46508 599.9146 14.54749 -34.56049      43.00061 
1 1 1 15  23 11 o 279.6316 22.78388 18.70767       2.970920  0.000000       0.000000  18.70767       2.970920  ?        ?        279.6316 22.78388 0.000000       22.78388 
1 1 1 15  23 12 o 129.2552 46.93697 3.505890       3.686168  -2.227705      7.120794  5.604802       4.308361  127.7951 57.28304 153.0614 51.04435 -25.26639      76.72595 
1 1 1 15  23 13 o 91.72566 43.32715 -5.171041      4.908860  -3.418550      7.194727  -6.697385      6.714481  123.6976 56.30152 107.5541 50.76393 16.14354       75.80790 
1 1 1 15  23 14 o 517.3409 15.50555 63.30127       3.773404  66.15256       4.822443  58.79905       6.059826  528.0317 19.41502 495.4350 26.09385 32.59671       32.52433 
1 1 1 15  23 15 o 476.2985 15.15770 53.65697       3.396111  52.66395       4.521313  54.94256       5.144452  470.8032 20.41530 480.2908 22.77013 -9.487610      30.58208 
1 1 1 15  23 16 o 190.2954 27.76796 8.857484       2.412451  9.593289       3.139307  7.796275       3.770101  196.0813 35.33496 174.2547 45.50135 21.82655       57.61018 
1 1 1 15  23 17 o 257.5744 22.08558 15.92647       2.650085  14.91271       3.420112  17.44963       4.192235  247.0486 30.04871 266.1014 34.28881 -19.05286      45.59219 
1 1 1 15  23 18 o 184.3443 43.20167 8.748498       3.680898  -14.98811      8.571829  14.11513       4.075821  104.3653 51.18595 237.3987 37.76266 -133.0334      63.60833 
1 1 1 15  23 19 o 252.9628 22.92979 15.42793       2.698860  18.55372       3.607344  11.45386       4.067480  275.9772 28.18267 211.2917 42.39780 64.68550       50.91008 
1 1 1 15  23 20 o 348.8310 18.23797 29.03909       2.982289  32.47796       4.118934  25.24980       4.323701  367.0781 23.98564 321.6729 28.88182 45.40515       37.54291 
1 1 1 15  23 21 o 177.1562 33.40170 7.931847       2.681434  7.847700       3.740089  8.020844       3.846385  172.5153 45.45195 174.2099 46.18684 -1.694580      64.80050 
1 1 1 15  23 22 f 110.6798 42.16699 2.411435       3.044351  -0.5150865     3.474144  12.09275       6.318864  92.64452 40.85299 206.6468 60.88286 -114.0023      73.31909 
1 1 1 15  23 23 o 191.9656 29.82446 9.237718       2.605771  13.79307       3.760128  5.028567       3.614422  232.7544 35.46358 139.9979 46.75455 92.75650       58.68265 
1 1 1 15  23 24 o 94.51089 38.39462 1.230274       2.670277  5.249703       4.146403  -1.617991      3.490435  142.6864 50.00477 85.59264 39.05728 57.09375       63.45036 
1 1 1 15  25 0  o 244.7897 22.15101 14.33999       2.523049  8.826085       4.206140  17.43912       3.153364  186.1774 47.78607 269.5248 25.16277 -83.34740      54.00624 
1 1 1 15  25 1  o 139.7907 35.54095 4.885612       2.342269  6.071471       4.308434  4.388083       2.790695  158.0416 50.94942 133.9077 40.69955 24.13393       65.20964 
1 1 1 15  25 2  o 280.7221 18.55183 18.73682       2.436000  0.000000       0.000000  18.73682       2.436000  ?        ?        280.7221 18.55183 0.000000       18.55183 
1 1 1 15  25 3  o 524.4636 15.35509 64.98742       3.788236  68.28181       8.497125  64.17019       4.232099  531.8713 34.14261 520.8444 17.27343 11.02692       38.26342 
1 1 1 15  25 4  o 129.2307 36.75210 4.135470       2.340281  3.867420       5.996274  4.183638       2.541871  150.2106 58.65893 130.4255 38.66477 19.78508       70.25549 
1 1 1 15  25 5  o 118.5235 30.13965 3.490553       1.684211  1.073425       5.972487  3.699371       1.755454  132.8716 55.98699 121.9565 30.63878 10.91518       63.82224 
1 1 1 15  25 6  o 667.8588 13.22302 105.2703       4.154173  92.53865       9.374823  108.3811       4.633963  620.1268 32.24886 677.4105 14.54224 -57.28369      35.37606 
1 1 1 15  25 7  o 245.3404 15.80051 14.28608       1.813818  23.24911       6.867364  13.61393       1.880600  303.5663 49.82018 239.3311 16.81093 64.23521       52.58001 
1 1 1 15  25 8  o 85.06059 28.84505 1.610069       1.375940  3.278835       6.338446  1.527542       1.409552  148.7502 59.59955 84.08051 29.17266 64.66965       66.35624 
1 1 1 15  25 9  o 308.2366 13.61696 22.43279       1.974394  20.84126       7.349397  22.55658       2.049745  283.9365 57.00574 309.0431 14.09976 -25.10654      58.72357 
1 1 1 15  25 10 o 343.2892 13.85311 27.83195       2.237056  0.000000       0.000000  27.83195       2.237056  ?        ?        343.2892 13.85311 0.000000       13.85311 
1 1 1 15  25 11 o 254.7833 17.45291 15.44168       2.079138  8.784186       7.920993  15.93431       2.154690  192.3389 68.94306 258.7745 17.80927 -66.43564      71.20615 
1 1 1 15  25 12 o 401.2534 15.57323 38.08076       2.939453  38.67420       8.769185  38.00564       3.119955  392.4796 48.53196 400.7126 16.55183 -8.232971      51.27684 
1 1 1 15  25 13 o 231.0084 27.46348 12.95012       2.925892  8.495839       7.300595  13.80247       3.193589  187.3414 66.29012 238.1511 29.11357 -50.80968      72.40151 
1 1 1 15  25 14 o 111.9711 43.80397 2.023093       3.348347  -0.2754459     7.044206  2.694019       3.805780  134.5152 58.77481 122.3136 47.01527 12.20161       75.26563 
1 1 1 15  25 15 o 216.1843 52.17373 12.23668       5.245057  7.969680       7.919545  15.57075       7.000455  184.8228 68.51932 240.6612 61.58281 -55.83842      92.12676 
1 1 1 15  25 16 o 519.0057 15.82441 63.82251       3.863394  84.06659       6.236593  51.21640       4.921402  593.5056 22.33846 463.1772 22.58772 130.3285       31.76810 
1 1 1 15  25 17 o 197.0764 29.20874 9.567958       2.625826  9.518432       3.627512  9.622474       3.805860  192.7232 41.25867 193.2436 42.97853 -0.5204468     59.57711 
1 1 1 15  25 18 o 327.0766 17.33887 25.49401       2.658190  26.87224       3.756494  24.11174       3.762009  333.8420 24.08230 315.6466 25.55600 18.19543       35.11504 
1 1 1 15  25 19 f 319.4838 25.63113 24.75626       3.819566  0.000000       0.000000  24.75626       3.819566  ?        ?        319.4838 25.63113 0.000000       25.63113 
1 1 1 15  25 20 o 193.1791 47.91699 9.972496       4.333202  13.58205       6.294603  6.721166       5.974098  220.2846 59.39184 164.0483 59.72572 56.23624       84.22917 
1 1 1 15  25 21 o 139.4313 50.27802 4.680606       4.218868  14.36980       6.238705  -3.483948      5.726864  225.5671 58.35413 104.6395 48.56618 120.9276       75.92020 
1 1 1 15  27 0  o 218.8067 25.58079 11.56335       2.583258  11.61036       4.336428  11.53749       3.216213  214.1600 44.49853 216.8531 32.53262 -2.693146      55.12251 
1 1 1 15  27 1  o 141.1024 37.19897 4.989962       2.504164  6.388228       5.906712  4.683576       2.764941  167.3980 59.58471 137.4080 40.21378 29.98997       71.88522 
1 1 1 15  27 2  f 436.0239 13.44822 44.88337       2.758318  56.95601       7.789281  43.15240       2.949439  485.0682 34.35933 427.3818 14.67081 57.68640       37.36036 
1 1 1 15  27 3  o 104.9273 37.79920 2.275285       2.383836  9.539240       6.379691  1.096493       2.569992  194.0252 61.94052 94.47088 37.91549 99.55431       72.62377 
1 1 1 15  27 4  o 178.4102 23.65447 7.701240       1.936243  1.940250       5.879054  8.402155       2.050651  136.7002 56.41291 186.4223 23.93728 -49.72214      61.28139 
1 1 1 15  27 5  o 275.9912 18.31098 18.11971       2.363759  22.28597       6.809428  17.54890       2.520490  296.4027 50.65789 271.3137 19.88752 25.08899       54.42183 
1 1 1 15  27 6  f 97.47409 32.49817 2.171178       1.746404  5.511297       6.150599  1.878276       1.821368  162.0125 60.32030 93.93813 33.12455 68.07434       68.81696 
1 1 1 15  27 7  o 241.9128 18.41782 13.94496       2.080134  16.94709       6.604807  13.61440       2.191666  255.2728 56.49723 238.7902 19.68689 16.48257       59.82901 
1 1 1 15  27 8  o 553.9194 12.39629 72.41499       3.230038  60.22593       9.027727  74.20444       3.459019  496.2531 38.98667 560.6063 13.11673 -64.35318      41.13404 
1 1 1 15  27 9  o 381.9375 14.09389 34.46838       2.532167  0.000000       0.000000  34.46838       2.532167  ?        ?        381.9375 14.09389 0.000000       14.09389 
1 1 1 15  27 10 o 293.4691 14.32865 20.35677       1.978049  19.64923       7.272253  20.41330       2.055549  273.6890 58.27325 293.4392 14.94099 -19.75024      60.15817 
1 1 1 15  27 11 o 376.0538 13.00382 33.40315       2.300330  12.23544       7.265444  35.76148       2.425089  214.5802 65.76007 389.0709 13.25042 -174.4906      67.08174 
1 1 1 15  27 12 o 315.2702 21.92211 23.78572       3.230912  19.87515       6.860682  24.90014       3.662461  275.9626 54.78297 321.9694 24.36217 -46.00677      59.95573 
1 1 1 15  27 13 o 65.11589 28.74355 -0.4693991     1.724188  -8.810940      5.285593  0.5239221      1.823960  84.61469 41.21655 76.79926 31.52558 7.815430       51.89090 
1 1 1 15  27 14 o 198.5823 49.33205 10.31520       4.587681  12.62782       6.246565  7.607016       6.759694  216.6532 59.48079 177.0596 63.66539 39.59367       87.12776 
1 1 1 15  27 15 o 94.31506 42.83286 -1.971815      4.134886  -5.434008      5.603320  2.167658       6.126921  98.13862 46.33632 137.5788 57.24808 -39.44022      73.65051 
1 1 1 15  27 16 f 138.4848 56.68267 2.756837       5.875159  0.000000       0.000000  2.756837       5.875159  ?        ?        138.4848 56.68267 0.000000       56.68267 
1 1 1 15  27 17 o 111.7098 45.87382 1.493454       3.863915  0.9625447      5.631184  1.965815       5.311612  125.4622 53.66885 128.4897 53.37094 -3.027596      75.68886 
1 1 1 15  27 18 o 300.6455 35.74839 22.64742       4.956589  19.98514       7.335593  24.88407       6.723665  268.3144 59.66328 308.2737 47.92252 -39.95932      76.52631 
1 1 1 15  27 19 o 128.7746 55.56848 1.060939       6.136360  1.060939       6.136360  0.000000       0.000000  128.7746 55.56848 ?        ?        0.000000       55.56848 
1 1 1 15  29 0  o 123.9678 38.26539 3.752272       2.455049  4.002182       4.036059  3.605498       3.093078  136.0456 49.15825 125.6882 43.23700 10.35744       65.46733 
1 1 1 15  29 1  o 364.1534 22.51521 31.68211       3.837901  0.000000       0.000000  31.68211       3.837901  ?        ?        364.1534 22.51521 0.000000       22.51521 
1 1 1 15  29 2  o 274.1956 17.87443 17.89147       2.292876  5.633175       5.742259  20.21665       2.500899  159.9656 58.50716 291.4543 18.33477 -131.4887      61.31274 
1 1 1 15  29 3  o 293.9212 21.60945 20.65247       2.966797  22.06599       6.380731  20.26259       3.351061  295.3099 47.54683 290.3832 24.76933 4.926727       53.61176 
1 1 1 15  29 4  o 282.9281 19.18371 19.07934       2.538071  16.52794       6.545815  19.53080       2.753479  251.1498 56.74415 285.9852 20.60576 -34.83546      60.36966 
1 1 1 15  29 5  o 423.3446 13.85275 42.35077       2.758667  45.39240       7.752828  41.90983       2.951861  429.9342 38.75087 420.9797 14.90615 8.954468       41.51896 
1 1 1 15  29 6  o 123.1752 32.74115 3.792758       1.929648  1.306183       5.558431  4.133501       2.057617  129.1942 54.20171 128.4297 33.65314 0.7645569      63.79937 
1 1 1 15  29 7  o 301.1319 21.11470 21.67371       2.972046  16.42985       5.985358  23.38979       3.423990  251.6643 52.26796 312.3068 23.47856 -60.64246      57.29906 
1 1 1 15  29 8  o 205.5705 42.42295 10.75105       3.966273  1.983353       5.291362  21.99465       5.992077  130.5797 53.65974 295.3991 44.50311 -164.8194      69.71294 
1 1 1 15  29 9  o 288.4347 32.16470 20.34916       4.289792  22.80322       6.284015  18.20749       5.870442  299.9164 46.01067 266.2570 48.66389 33.65939       66.97130 
1 1 1 15  29 10 o 220.3165 40.71651 12.28723       4.064314  14.13199       5.679357  10.35077       5.818796  231.7917 53.21225 197.7023 58.47419 34.08945       79.06184 
1 1 1 15  29 11 o 121.0942 46.59527 2.689798       3.740654  -0.8534483     5.008061  7.161119       5.625833  110.7810 48.93980 169.7477 58.31610 -58.96671      76.13063 
1 1 1 15  29 12 o 259.8044 36.73817 16.83946       4.364653  8.611773       5.670620  28.79905       6.836749  181.5275 58.44412 337.2499 44.15578 -155.7224      73.24922 
1 1 1 15  29 13 o 384.8536 28.29384 35.96048       5.086288  36.83116       7.054471  35.01784       7.340230  383.8839 39.63616 372.5312 42.65566 11.35272       58.22826 
1 1 1 15  29 14 o 76.64596 36.80167 -5.127362      3.850060  -9.881095      5.470076  -0.4604637     5.419885  83.42265 40.90954 116.2333 51.15040 -32.81061      65.49774 
1 1 1 15  29 15 o 143.4274 56.35609 4.010108       5.562587  0.000000       0.000000  4.010108       5.562587  ?        ?        143.4274 56.35609 0.000000       56.35609 
1 1 1 15  31 0  o 316.6553 26.03020 24.20126       3.843011  17.88347       5.218310  31.68847       5.680769  265.7361 43.23173 359.6109 33.98473 -93.87479      54.99040 
1 1 1 15  31 1  o 262.3670 31.22073 16.85968       3.777546  16.38228       5.480048  17.29192       5.214363  252.1733 47.94972 260.9111 44.05416 -8.737808      65.11485 
1 1 1 15  31 2  f 200.5343 38.78138 10.16527       3.526002  5.270512       4.800889  15.89774       5.195494  150.8817 53.71703 249.1426 46.02669 -98.26083      70.73878 
1 1 1 15  31 3  o 274.6524 30.40567 18.42169       3.862419  15.32402       5.437919  21.57551       5.486983  243.1293 49.23560 293.4389 40.85963 -50.30962      63.98167 
1 1 1 15  31 4  o 439.1989 34.43049 47.20571       7.056366  47.20571       7.056366  0.000000       0.000000  439.1989 34.43049 ?        ?        0.000000       34.43049 
1 1 1 15  31 5  o 273.6615 32.16653 18.38205       4.061828  14.59275       5.810445  22.00357       5.680347  235.0695 53.72008 295.6942 42.01997 -60.62465      68.20209 
1 1 1 15  31 6  o 146.6192 47.32353 5.344438       3.716182  15.84126       5.771076  -2.091261      4.857231  245.8964 51.54084 102.9095 46.61248 142.9869       69.49232 
1 1 1 15  31 7  o 150.4009 46.47786 5.731565       3.620750  1.487812       5.101657  10.03865       5.139581  124.8348 52.11673 194.5474 54.16417 -69.71262      75.16589 
1 1 1 15  31 8  f 196.2215 54.48299 10.25565       5.207633  0.000000       0.000000  10.25565       5.207633  ?        ?        196.2215 54.48299 0.000000       54.48299 
1 1 1 15  31 9  o 112.2608 44.84670 1.882106       3.577259  1.247622       5.431042  2.368312       4.754257  126.0349 53.26267 127.0708 51.36814 -1.035919      73.99728 
1 1 1 15  31 10 o 291.1430 31.21602 20.83100       4.208482  18.21641       5.930141  23.48395       5.973481  263.7105 49.62563 303.8264 42.99637 -40.11594      65.66118 
1 1 1 16  0  0  o 535.0194 16.85630 67.61469       4.232762  67.61469       4.232762  67.61469       4.232762  535.0194 16.85630 535.0194 16.85630 0.000000       0.000000 
1 1 1 16  0  1  o 193.4993 33.82221 9.612081       2.797089  9.612081       2.797089  9.612081       2.797089  193.4993 33.82221 193.4993 33.82221 0.000000       0.000000 
1 1 1 16  0  2  o 414.0970 19.43543 40.66608       3.766867  40.66608       3.766867  40.66608       3.766867  414.0970 19.43543 414.0970 19.43543 0.000000       0.000000 
1 1 1 16  0  3  o 672.0990 17.54601 106.6029       5.538745  106.6029       5.538745  106.6029       5.538745  672.0990 17.54601 672.0990 17.54601 0.000000       0.000000 
1 1 1 16  0  4  o 68.27161 46.12780 -2.028835      4.334140  -2.028835      4.334140  -2.028835      4.334140  68.27161 46.12780 68.27161 46.12780 0.000000       0.000000 
1 1 1 16  0  5  o 228.8913 54.15920 14.30440       5.063263  14.30440       5.063263  14.30440       5.063263  228.8913 54.15920 228.8913 54.15920 0.000000       0.000000 
1 1 1 16  0  6  o 961.4838 19.51948 217.9598       8.820140  217.9598       8.820140  217.9598       8.820140  961.4838 19.51948 961.4838 19.51948 0.000000       0.000000 
1 1 1 16  0  7  o 163.2044 52.10361 7.950921       3.524768  7.950921       3.524768  7.950921       3.524768  163.2044 52.10361 163.2044 52.10361 0.000000       0.000000 
1 1 1 16  0  8  o 792.3676 19.93007 148.0876       7.417943  148.0876       7.417943  148.0876       7.417943  792.3676 19.93007 792.3676 19.93007 0.000000       0.000000 
1 1 1 16  0  9  o 920.5184 20.55405 199.7776       8.890172  199.7776       8.890172  199.7776       8.890172  920.5184 20.55405 920.5184 20.55405 0.000000       0.000000 
1 1 1 16  0  10 o 1504.850 24.63668 533.7273       17.42939  533.7273       17.42939  533.7273       17.42939  1504.850 24.63668 1504.850 24.63668 0.000000       0.000000 
1 1 1 16  0  11 o 470.8231 34.35210 53.09156       7.515089  53.09156       7.515089  53.09156       7.515089  470.8231 34.35210 470.8231 34.35210 0.000000       0.000000 
1 1 1 16  0  12 o 1451.219 24.60183 496.4312       16.78372  496.4312       16.78372  496.4312       16.78372  1451.219 24.60183 1451.219 24.60183 0.000000       0.000000 
1 1 1 16  0  13 o 1120.588 22.88446 296.0851       12.05166  296.0851       12.05166  296.0851       12.05166  1120.588 22.88446 1120.588 22.88446 0.000000       0.000000 
1 1 1 16  0  14 o 740.9838 22.70051 129.6759       7.895686  129.6759       7.895686  129.6759       7.895686  740.9838 22.70051 740.9838 22.70051 0.000000       0.000000 
1 1 1 16  0  15 o 722.0380 34.38650 123.8704       11.61894  123.8704       11.61894  123.8704       11.61894  722.0380 34.38650 722.0380 34.38650 0.000000       0.000000 
1 1 1 16  0  16 o 85.66093 54.50071 0.5128763      4.817322  0.5128763      4.817322  0.5128763      4.817322  85.66093 54.50071 85.66093 54.50071 0.000000       0.000000 
1 1 1 16  0  17 o 456.6350 28.88134 49.78133       6.146880  49.78133       6.146880  49.78133       6.146880  456.6350 28.88134 456.6350 28.88134 0.000000       0.000000 
1 1 1 16  0  18 o 109.9384 63.07060 3.706007       5.185341  3.706007       5.185341  3.706007       5.185341  109.9384 63.07060 109.9384 63.07060 0.000000       0.000000 
1 1 1 16  0  19 o 211.3260 67.97894 13.51480       5.964725  13.51480       5.964725  13.51480       5.964725  211.3260 67.97894 211.3260 67.97894 0.000000       0.000000 
1 1 1 16  0  21 o 321.8033 43.29881 25.98651       6.220842  25.98651       6.220842  25.98651       6.220842  321.8033 43.29881 321.8033 43.29881 0.000000       0.000000 
1 1 1 16  0  22 o 266.6949 51.57637 18.84009       5.773769  18.84009       5.773769  18.84009       5.773769  266.6949 51.57637 266.6949 51.57637 0.000000       0.000000 
1 1 1 16  0  23 o 859.9755 25.85166 175.8013       10.43650  175.8013       10.43650  175.8013       10.43650  859.9755 25.85166 859.9755 25.85166 0.000000       0.000000 
1 1 1 16  0  24 o 221.8047 62.88228 14.52402       5.683120  14.52402       5.683120  14.52402       5.683120  221.8047 62.88228 221.8047 62.88228 0.000000       0.000000 
1 1 1 16  0  25 o 64.99953 45.46041 -4.792881      5.157166  -4.792881      5.157166  -4.792881      5.157166  64.99953 45.46041 64.99953 45.46041 0.000000       0.000000 
1 1 1 16  0  26 o 415.1949 47.46146 43.75743       8.956471  43.75743       8.956471  43.75743       8.956471  415.1949 47.46146 415.1949 47.46146 0.000000       0.000000 
1 1 1 16  0  27 o 363.5253 39.46751 33.14398       6.547401  33.14398       6.547401  33.14398       6.547401  363.5253 39.46751 363.5253 39.46751 0.000000       0.000000 
1 1 1 16  0  28 o 253.3263 56.80672 18.05951       5.909818  18.05951       5.909818  18.05951       5.909818  253.3263 56.80672 253.3263 56.80672 0.000000       0.000000 
1 1 1 16  0  29 f 90.22134 61.14949 -2.387039      7.736414  -2.387039      7.736414  -2.387039      7.736414  90.22134 61.14949 90.22134 61.14949 0.000000       0.000000 
1 1 1 16  0  30 o 241.5600 57.78204 16.91323       5.696037  16.91323       5.696037  16.91323       5.696037  241.5600 57.78204 241.5600 57.78204 0.000000       0.000000 
1 1 1 16  0  31 o 197.5354 63.59229 12.65726       5.216611  12.65726       5.216611  12.65726       5.216611  197.5354 63.59229 197.5354 63.59229 0.000000       0.000000 
1 1 1 16  0  32 o 180.3200 80.65746 13.40666       7.281663  13.40666       7.281663  13.40666       7.281663  180.3200 80.65746 180.3200 80.65746 0.000000       0.000000 
1 1 1 16  0  33 o 67.30620 47.27712 -4.625446      5.756263  -4.625446      5.756263  -4.625446      5.756263  67.30620 47.27712 67.30620 47.27712 0.000000       0.000000 
1 1 1 16  0  34 o 199.1110 74.68120 15.26754       6.531644  15.26754       6.531644  15.26754       6.531644  199.1110 74.68120 199.1110 74.68120 0.000000       0.000000 
1 1 1 16  2  0  o 504.3806 12.89219 59.94167       3.058824  59.00714       5.964273  60.27520       3.563096  498.5022 25.51994 505.6245 14.98063 -7.122345      29.59200 
1 1 1 16  2  1  o 571.0623 12.17335 76.82062       3.270115  77.22405       4.605956  76.41057       4.643556  572.1285 17.11421 569.0834 17.34624 3.045105       24.36777 
1 1 1 16  2  2  o 366.6496 14.51465 31.68518       2.503382  31.89800       3.568230  31.47890       3.513048  366.8969 20.75984 364.4943 20.57323 2.402618       29.22720 
1 1 1 16  2  3  o 497.2676 15.27940 58.28796       3.574093  61.59153       4.446794  52.25922       6.007156  510.9023 18.50290 468.9290 27.35152 41.97324       33.02216 
1 1 1 16  2  4  f 682.3073 14.81211 109.7039       4.754076  107.3957       5.767656  114.5957       8.396393  674.7686 18.17085 696.0390 25.64424 -21.27039      31.42940 
1 1 1 16  2  5  o 436.0923 17.07087 44.82955       3.501896  49.28657       6.445982  42.96330       4.171112  455.1868 30.27711 426.6896 20.78119 28.49716       36.72276 
1 1 1 16  2  6  o 1030.296 16.22550 250.0936       7.863746  265.1606       14.45713  243.7626       9.371341  1058.900 29.02404 1016.776 19.59327 42.12378       35.01844 
1 1 1 16  2  7  o 815.6191 13.73746 156.6262       5.270637  161.4238       7.553025  152.0726       7.358397  827.5902 19.40154 803.2552 19.47423 24.33496       27.48937 
1 1 1 16  2  8  o 627.3049 14.36154 92.64745       4.237884  96.62441       6.152067  89.05613       5.846173  640.2983 20.42535 614.7234 20.21728 25.57489       28.73905 
1 1 1 16  2  9  o 625.2488 14.83451 92.03961       4.363102  95.07174       6.286376  89.22143       6.060537  635.1468 21.04054 615.3003 20.93894 19.84650       29.68406 
1 1 1 16  2  10 o 1588.250 20.57414 594.3994       15.37127  590.9632       26.17084  596.2091       18.99241  1580.848 35.19316 1589.899 25.39460 -9.050659      43.39866 
1 1 1 16  2  11 o 814.6464 14.91227 156.2435       5.714552  154.9081       8.055018  157.5967       8.108440  810.7593 21.12055 817.7678 21.07842 -7.008484      29.83920 
1 1 1 16  2  12 o 1490.416 20.30033 523.4619       14.23246  528.9097       17.66317  513.3770       24.03207  1497.400 25.07619 1473.293 34.67630 24.10706       42.79323 
1 1 1 16  2  13 o 800.3499 17.72875 150.8970       6.674633  147.7616       8.137737  157.3425       11.66759  791.6691 21.85198 816.0244 30.39546 -24.35529      37.43518 
1 1 1 16  2  14 o 595.0151 20.25366 83.45724       5.668926  92.00358       10.37108  79.81573       6.769773  622.2996 35.57636 581.5700 24.74587 40.72955       43.33631 
1 1 1 16  2  15 o 1729.304 19.67449 705.0040       16.00458  708.0488       22.65059  701.9683       22.61723  1731.029 27.81672 1723.557 27.89616 7.471558       39.39500 
1 1 1 16  2  16 o 555.3081 21.16753 72.74770       5.529344  75.80262       9.840996  71.33834       6.684194  563.8598 37.31303 549.4948 25.85926 14.36499       45.39783 
1 1 1 16  2  17 o 418.7804 21.36572 41.50127       4.194944  34.77193       5.758743  49.10910       6.123101  381.6141 32.38575 454.5938 28.78233 -72.97964      43.32735 
1 1 1 16  2  18 o 783.5397 17.17616 144.7863       6.330768  143.4208       8.888269  146.1923       9.019285  778.7977 24.26181 786.2654 24.38561 -7.467651      34.39903 
1 1 1 16  2  19 o 880.4434 17.63372 182.9487       7.303226  182.4101       10.41815  183.4692       10.24078  877.5752 25.23695 880.2409 24.73217 -2.665710      35.33530 
1 1 1 16  2  20 o 227.2529 42.95343 12.83169       4.423487  14.53779       5.453753  9.551130       7.562539  240.4770 49.84869 200.1564 67.62594 40.32059       84.01285 
1 1 1 16  2  21 o 420.8861 22.77890 42.14124       4.493114  40.93810       6.338877  43.35610       6.369678  412.2709 32.96150 424.5888 32.12973 -12.31793      46.03021 
1 1 1 16  2  22 o 428.2591 26.41834 43.89380       5.296096  43.22510       6.313588  45.48158       9.728737  423.2976 31.94272 427.1320 49.32711 -3.834412      58.76649 
1 1 1 16  2  23 o 567.3835 23.42978 76.70277       6.253372  72.17599       11.22370  78.74059       7.530494  539.7884 44.60165 573.3247 27.92245 -33.53632      52.62100 
1 1 1 16  2  24 o 438.5045 23.16470 46.03156       4.761309  41.34143       6.774520  50.60980       6.693230  410.6951 35.41246 456.6019 31.35221 -45.90680      47.29697 
1 1 1 16  2  25 o 112.8316 45.93589 1.607655       3.832653  10.70784       5.745578  -5.688024      5.144481  199.5626 57.84526 91.82628 43.66201 107.7363       72.47376 
1 1 1 16  2  26 o 172.1476 52.41726 7.842037       4.625879  -3.183710      7.579748  14.38607       5.839469  124.8255 57.18459 230.6548 54.65659 -105.8293      79.10386 
1 1 1 16  2  27 o 216.2986 48.81107 12.48575       4.848445  9.675125       5.844509  18.68906       8.682770  187.7906 59.21534 251.9990 70.48650 -64.20847      92.05869 
1 1 1 16  2  28 o 533.8920 25.93592 69.10999       6.513649  67.15379       7.962301  73.06778       11.32550  520.8727 32.66183 531.0183 45.78729 -10.14563      56.24297 
1 1 1 16  2  29 o 98.32594 42.98486 -0.1112932     3.772127  0.4132038      5.171646  -0.7075260     5.513981  116.0202 50.53592 113.6154 50.70382 2.404869       71.58740 
1 1 1 16  2  30 o 95.41609 41.97616 -0.2293037     3.647507  5.968812       5.126597  -6.583407      5.190707  151.4215 55.29704 87.21903 42.08792 64.20248       69.49213 
1 1 1 16  2  31 o 133.1062 48.18335 4.517226       3.880110  6.388228       6.597942  3.528083       4.797345  156.0728 61.36044 129.5748 51.87380 26.49797       80.34921 
1 1 1 16  2  32 o 119.5066 46.47946 3.252699       3.753048  -1.539834      6.360888  5.812064       4.648377  112.7216 51.91381 144.4546 52.66970 -31.73292      73.95364 
1 1 1 16  2  33 o 134.5734 50.96706 5.012751       4.431000  0.8266945      6.132053  9.586802       6.409940  118.0562 53.02074 169.0723 61.81857 -51.01604      81.44160 
1 1 1 16  2  34 o 132.7672 56.12627 4.673009       6.033919  4.673009       6.033919  0.000000       0.000000  132.7672 56.12627 ?        ?        0.000000       56.12627 
1 1 1 16  4  0  o 375.9109 14.59099 33.30313       2.580114  29.09334       5.205348  34.67428       2.970726  348.5706 32.10697 383.4655 16.46899 -34.89487      36.08442 
1 1 1 16  4  1  o 299.2921 16.96400 21.19149       2.378499  23.15101       4.866853  20.57662       2.726248  310.3143 33.89196 294.5904 19.78817 15.72391       39.24585 
1 1 1 16  4  2  o 528.1954 14.56884 65.73995       3.619836  66.74294       4.479559  63.85256       6.144951  531.9597 17.90141 519.6121 25.14026 12.34753       30.86249 
1 1 1 16  4  3  o 1094.095 15.89043 282.1216       8.178245  294.3419       10.39868  262.3068       13.24135  1116.912 19.79201 1053.010 26.73195 63.90198       33.26141 
1 1 1 16  4  4  o 54.36514 26.19167 -3.068059      1.990176  -1.934743      2.847249  -4.150743      2.782922  76.86772 35.15322 64.78800 31.15428 12.07972       46.97168 
1 1 1 16  4  5  o 643.7883 13.09260 97.58720       3.964956  97.96127       5.665619  97.22814       5.550736  644.6619 18.68298 642.2682 18.37235 2.393616       26.20300 
1 1 1 16  4  6  o 800.2036 15.82902 150.8116       5.958319  162.9905       11.07400  145.8494       7.068702  830.6346 28.34166 786.6832 19.10163 43.95135       34.17780 
1 1 1 16  4  7  o 453.9342 23.37312 48.72259       4.973962  43.01427       7.214450  53.89418       6.866900  424.7296 36.46304 476.5977 30.79415 -51.86816      47.72665 
1 1 1 16  4  8  o 1263.670 22.07472 376.4141       13.12195  0.000000       0.000000  376.4141       13.12195  ?        ?        1263.670 22.07472 0.000000       22.07472 
1 1 1 16  4  9  o 1552.379 17.58788 567.5652       12.84342  563.2605       18.12319  571.9081       18.20374  1545.438 24.92951 1557.269 24.85007 -11.83142      35.19952 
1 1 1 16  4  10 o 444.0853 18.93009 46.45612       3.954472  53.18074       6.753377  42.94736       4.878252  473.5905 30.47622 426.0706 24.44180 47.51987       39.06663 
1 1 1 16  4  11 o 745.1143 14.95532 130.7132       5.241890  134.6752       7.522711  126.9738       7.308244  755.9447 21.15510 734.0114 21.16610 21.93329       29.92561 
1 1 1 16  4  12 o 950.6085 15.23513 212.7763       6.812668  215.3406       9.725935  210.3061       9.545729  955.7828 21.63231 944.5583 21.48380 11.22449       30.48787 
1 1 1 16  4  13 o 663.9114 18.26776 103.8495       5.705118  101.9457       6.868508  108.0856       10.24552  657.5286 22.20642 676.0955 32.21489 -18.56696      39.12703 
1 1 1 16  4  14 o 430.5242 22.00922 43.82693       4.442397  46.42350       5.635703  39.56600       7.219386  442.5271 27.20498 406.7391 38.17927 35.78802       46.88035 
1 1 1 16  4  15 f 298.8053 25.52577 21.23720       3.553442  26.45745       5.279134  16.91267       4.804925  332.4581 34.24655 263.9669 39.94491 68.49121       52.61580 
1 1 1 16  4  16 o 193.7545 38.66132 9.231314       3.400200  8.862091       4.696606  9.637985       4.929028  189.2480 51.41891 197.0628 52.30295 -7.814804      73.34509 
1 1 1 16  4  17 o 456.0341 24.62519 49.29570       5.263001  53.29965       9.942517  47.73703       6.203384  470.0151 45.54044 447.9667 29.60530 22.04846       54.31763 
1 1 1 16  4  18 o 868.7662 19.35883 178.1594       7.911362  159.2450       12.34650  191.3358       10.30492  818.7970 32.05518 899.3776 24.35754 -80.58057      40.25946 
1 1 1 16  4  19 o 600.7835 18.63429 85.23961       5.266234  92.31685       7.635820  78.81963       7.272608  624.0269 26.01256 576.4641 26.81937 47.56281       37.36217 
1 1 1 16  4  20 o 605.8467 18.84000 86.76771       5.369242  88.49886       7.578434  85.02294       7.608162  610.3823 26.39418 598.1296 27.04053 12.25275       37.78681 
1 1 1 16  4  21 f 764.4646 25.39392 138.9851       9.131800  138.9851       9.131800  0.000000       0.000000  764.4646 25.39392 ?        ?        0.000000       25.39392 
1 1 1 16  4  22 o 968.5754 17.97962 222.1258       8.191874  232.8978       11.96811  212.6304       11.23658  988.3447 25.74232 944.5847 25.28856 43.76001       36.08571 
1 1 1 16  4  23 o 378.4205 25.09725 34.34543       4.442205  34.01998       6.189499  34.69114       6.379251  372.9696 35.71544 376.3497 36.49224 -3.380035      51.06150 
1 1 1 16  4  24 o 298.5857 35.82996 22.02258       4.932008  24.98217       9.671809  20.98253       5.733479  300.4676 69.76785 288.1072 43.67456 12.36035       82.31052 
1 1 1 16  4  25 o 709.9869 19.16407 120.0333       6.400405  132.0457       9.370101  109.5261       8.763407  740.2673 26.90831 673.7440 27.65087 66.52338       38.58274 
1 1 1 16  4  26 o 557.3971 20.76850 74.28008       5.445518  75.46001       7.602109  73.03660       7.804114  556.7734 29.12717 546.8768 30.45730 9.896545       42.14308 
1 1 1 16  4  27 f 143.2362 47.61381 5.178534       3.749819  7.752359       5.224869  2.444692       5.384838  170.7772 56.17677 131.3178 54.06701 39.45937       77.96840 
1 1 1 16  4  28 o 349.8592 27.59766 29.96840       4.504994  34.29945       6.488683  25.93785       6.259542  368.1880 38.01125 316.5623 43.16018 51.62570       57.51222 
1 1 1 16  4  29 o 260.9249 33.27058 17.15845       3.990684  20.08345       5.588471  14.11494       5.700557  275.7894 44.59947 224.2972 54.55300 51.49216       70.46377 
1 1 1 16  4  30 o 288.0125 36.35765 21.30253       4.816054  25.42509       8.425057  19.30157       5.869598  292.4096 63.10210 265.4562 48.80363 26.95343       79.77261 
1 1 1 16  4  31 o 134.4163 47.81989 4.703189       3.803983  4.678954       6.259319  4.717382       4.790049  144.0622 58.68314 138.1230 52.82792 5.939117       78.95885 
1 1 1 16  4  32 o 236.0425 37.73904 14.87740       4.049191  17.02735       6.553414  13.54977       5.149831  232.8844 59.57935 214.0792 51.71789 18.80521       78.89512 
1 1 1 16  4  33 o 117.3078 52.59992 0.9093342      6.009440  0.9093342      6.009440  0.000000       0.000000  117.3078 52.59992 ?        ?        0.000000       52.59992 
1 1 1 16  6  0  o 150.8736 51.92657 4.988109       4.461545  4.988109       4.461545  0.000000       0.000000  150.8736 51.92657 ?        ?        0.000000       51.92657 
1 1 1 16  6  1  f 549.6196 15.44298 71.16470       3.992663  73.69204       7.110442  70.00083       4.825189  558.3618 27.07145 544.8934 18.82494 13.46838       32.97335 
1 1 1 16  6  2  o 687.8749 17.62298 111.5108       5.702405  119.7979       8.926181  105.7967       7.412081  712.0729 26.64845 669.5010 23.53529 42.57190       35.55348 
1 1 1 16  6  3  o 1183.809 14.18761 330.0011       7.900606  331.8216       11.20899  328.2037       11.13764  1186.368 20.08527 1179.885 20.06708 6.482788       28.39200 
1 1 1 16  6  4  o 737.1773 12.61203 127.9249       4.373472  127.6836       6.163041  128.1698       6.207242  736.1690 17.79706 737.5626 17.89083 -1.393616      25.23524 
1 1 1 16  6  5  o 1375.920 15.63274 445.8129       10.11807  456.6481       14.60951  435.8251       14.02650  1391.665 22.31678 1359.623 21.93116 32.04248       31.28921 
1 1 1 16  6  6  o 997.7216 13.86764 234.3370       6.508505  236.2253       9.242971  232.4799       9.166341  1001.291 19.62374 993.3222 19.61718 7.969055       27.74752 
1 1 1 16  6  7  o 823.1841 16.18257 159.5618       6.266336  172.5030       12.08215  154.7997       7.329134  854.7230 30.05035 810.6174 19.22062 44.10559       35.67149 
1 1 1 16  6  8  o 529.7765 18.06157 66.10394       4.501088  64.89299       8.474999  66.57972       5.312222  522.7995 34.65812 531.5383 21.24577 -8.738770      40.65179 
1 1 1 16  6  9  o 387.2879 19.68877 35.42730       3.575111  38.02021       5.768796  33.81046       4.555366  400.0674 30.89299 377.7397 25.79080 22.32773       40.24353 
1 1 1 16  6  10 o 1049.451 15.01082 259.2952       7.410302  267.3518       10.75729  252.0196       10.22264  1065.078 21.47100 1034.131 21.01446 30.94690       30.04349 
1 1 1 16  6  11 o 907.4107 14.93806 193.8649       6.376280  204.6655       9.339019  184.4337       8.726913  931.8439 21.30536 884.6167 20.97182 47.22717       29.89541 
1 1 1 16  6  12 o 1688.220 18.92249 671.5437       15.02716  675.1675       21.35956  667.9922       21.14528  1691.239 26.84838 1682.256 26.72095 8.982300       37.87934 
1 1 1 16  6  13 o 1272.630 19.12374 381.6839       11.44839  382.4485       14.09607  380.2022       19.62283  1273.257 23.53493 1267.702 32.90601 5.554932       40.45613 
1 1 1 16  6  14 o 403.7061 23.79831 38.59447       4.499413  37.06453       5.380579  42.15220       8.204977  394.9108 29.17061 419.0762 42.19513 -24.16537      51.29673 
1 1 1 16  6  15 o 706.1219 16.46910 117.4843       5.470396  119.7753       7.823504  115.2927       7.651964  712.3275 23.34814 698.8786 23.27565 13.44885       32.96804 
1 1 1 16  6  16 o 845.1021 16.29268 168.3170       6.476957  179.4038       9.377012  158.2010       8.957015  871.6450 22.86944 818.4625 23.26458 53.18256       32.62288 
1 1 1 16  6  17 o 166.0199 45.91050 6.804678       3.705799  6.730084       5.658730  6.860692       4.903592  172.3069 58.49635 170.0423 54.30614 2.264633       79.81841 
1 1 1 16  6  18 o 667.8472 17.58900 105.2475       5.525703  118.5021       8.280252  94.60554       7.419465  707.5005 24.87984 632.1409 24.95108 75.35968       35.23582 
1 1 1 16  6  19 f 610.4356 18.61220 88.03332       5.344498  98.30255       7.753765  78.73824       7.376837  643.7868 25.60361 575.8569 27.23242 67.92987       37.37847 
1 1 1 16  6  20 o 317.5742 27.48719 24.17160       4.065754  23.90851       5.701913  24.44373       5.799007  312.7317 39.65017 316.1930 39.87479 -3.461365      56.23287 
1 1 1 16  6  21 o 454.8797 21.98483 49.10271       4.704235  51.35246       6.612473  46.79724       6.693859  462.3144 30.57854 440.6282 32.52489 21.68625       44.64209 
1 1 1 16  6  22 o 391.8906 24.36815 36.72976       4.469930  41.29373       6.564785  32.78493       6.103287  412.4377 34.14415 366.5947 35.85114 45.84302       49.50885 
1 1 1 16  6  23 o 380.3297 34.09867 35.30500       6.035737  0.000000       0.000000  35.30500       6.035737  ?        ?        380.3297 34.09867 0.000000       34.09867 
1 1 1 16  6  24 o 398.6065 27.72243 38.41712       5.165758  34.06659       7.900764  41.66569       6.827221  366.0929 46.96106 411.6436 35.60832 -45.55063      58.93465 
1 1 1 16  6  25 o 111.5576 45.22842 1.655722       3.697256  -2.775288      5.447072  5.441172       5.034665  106.0833 48.55371 152.1505 54.91518 -46.06715      73.30170 
1 1 1 16  6  26 o 244.0197 36.86400 15.01604       4.099613  13.84247       5.582390  16.38995       6.040076  226.4945 53.28578 246.7715 53.56974 -20.27704      75.55853 
1 1 1 16  6  27 o 163.7386 52.28104 7.087166       4.544895  9.969507       5.618990  1.633472       7.729136  190.2443 57.73559 144.0986 62.27246 46.14571       84.91913 
1 1 1 16  6  28 o 425.3208 29.73588 44.51243       5.911877  46.35311       6.942255  39.65517       11.27733  430.7930 34.54872 370.3287 67.21193 60.46423       75.57153 
1 1 1 16  6  29 o 104.2067 44.08170 0.8948927      3.726015  7.513259       5.182823  -6.184835      5.360426  165.6966 55.98384 90.78658 43.54695 74.91001       70.92620 
1 1 1 16  6  30 o 256.1659 37.10495 16.99618       4.340990  13.39774       6.770603  19.50794       5.656652  209.5500 63.32780 268.1536 46.53158 -58.60353      78.58497 
1 1 1 16  6  31 f 184.1767 54.59945 10.05630       5.068727  0.000000       0.000000  10.05630       5.068727  ?        ?        184.1767 54.59945 0.000000       54.59945 
1 1 1 16  6  32 o 86.32191 40.26056 -2.414360      4.012695  1.425981       5.612586  -6.429846      5.739144  119.3334 52.29379 90.93245 43.97318 28.40092       68.32482 
1 1 1 16  6  33 o 146.1187 51.42813 6.467395       4.388369  7.131392       6.422303  5.885850       6.010340  151.0521 60.17084 142.8612 57.75481 8.190842       83.40353 
1 1 1 16  8  0  o 1465.849 21.92274 506.5873       15.11657  0.000000       0.000000  506.5873       15.11657  ?        ?        1465.849 21.92274 0.000000       21.92274 
1 1 1 16  8  1  o 363.2091 16.85426 31.07070       2.879623  27.34840       5.757439  32.31250       3.325451  337.9233 36.81513 369.8268 19.18124 -31.90344      41.51233 
1 1 1 16  8  2  o 2090.431 20.94961 1029.925       20.60066  1068.966       43.30534  1018.506       23.42039  2122.519 43.37311 2078.153 23.95782 44.36597       49.55001 
1 1 1 16  8  3  o 860.5971 15.18565 174.3784       6.147556  176.0999       11.36603  173.6666       7.308900  863.7560 27.97359 858.6505 18.09532 5.105530       33.31610 
1 1 1 16  8  4  o 557.0931 12.81341 73.04764       3.357854  72.16037       4.712345  73.96284       4.785956  553.5021 18.09875 560.3698 18.15619 -6.867615      25.63614 
1 1 1 16  8  5  o 547.9882 13.30618 70.68196       3.429997  68.42423       4.759874  73.12073       4.947034  538.9644 18.77440 557.1497 18.87573 -18.18524      26.62276 
1 1 1 16  8  6  o 1686.870 17.96195 670.1752       14.25294  653.9359       19.62691  688.2944       20.73185  1665.247 25.05555 1708.299 25.79912 -43.05237      35.96353 
1 1 1 16  8  7  o 1075.348 14.44233 272.2165       7.305596  284.3929       10.70428  261.5993       9.995448  1098.632 20.71266 1053.735 20.16515 44.89685       28.90757 
1 1 1 16  8  8  o 310.6397 28.63854 22.96684       4.137701  0.000000       0.000000  22.96684       4.137701  ?        ?        310.6397 28.63854 0.000000       28.63854 
1 1 1 16  8  9  o 262.0179 29.05219 16.40482       3.520515  11.73008       6.954669  18.01542       4.082179  219.1082 63.67898 274.2645 32.25760 -55.15631      71.38323 
1 1 1 16  8  10 o 539.2258 15.63400 68.46639       3.965609  66.88535       5.569592  70.09206       5.647660  532.6524 22.22850 545.2833 22.01796 -12.63092      31.28732 
1 1 1 16  8  11 o 618.4869 15.42214 90.07731       4.486882  94.33952       6.492344  86.18025       6.208019  632.5751 21.81826 604.6008 21.82805 27.97437       30.86260 
1 1 1 16  8  12 f 863.4903 17.29550 175.6518       7.025219  171.1738       8.605105  184.6017       12.16520  852.0422 21.46969 883.8943 29.25833 -31.85217      36.29046 
1 1 1 16  8  13 o 1071.533 16.03852 270.4619       8.084241  284.9663       11.82013  257.7140       11.08129  1099.036 22.86342 1045.208 22.53814 53.82751       32.10458 
1 1 1 16  8  14 o 401.7979 23.96652 38.24727       4.509213  42.55042       5.453862  28.95066       8.016282  423.4112 27.53207 344.4054 51.02413 79.00580       57.97824 
1 1 1 16  8  15 o 262.5640 27.91272 16.48821       3.394651  17.77450       4.861585  15.26435       4.742165  270.6471 39.33780 249.9073 41.81679 20.73982       57.41172 
1 1 1 16  8  16 o 498.1766 20.74952 58.58521       4.862513  63.22831       7.847829  55.69200       6.194931  515.1766 32.55089 484.3212 27.30288 30.85547       42.48538 
1 1 1 16  8  17 o 537.5309 18.80626 68.20012       4.755270  61.13454       6.451922  76.60262       7.035899  507.2474 27.13796 568.7218 26.29968 -61.47443      37.79076 
1 1 1 16  8  18 o 681.2404 21.07645 109.7398       6.754095  103.2105       12.66142  112.3368       7.985089  654.4896 41.33780 688.5779 24.65229 -34.08832      48.13054 
1 1 1 16  8  19 o 562.7891 18.83451 74.87803       4.986196  69.45901       6.930975  80.69125       7.178636  539.8376 27.38332 582.8408 26.18320 -43.00323      37.88676 
1 1 1 16  8  20 o 399.7577 23.27277 38.06232       4.357437  39.86965       6.245621  36.34828       6.082318  406.6776 32.93067 387.9730 33.66075 18.70459       47.09007 
1 1 1 16  8  21 o 204.2149 40.98155 10.47446       3.799947  21.55960       5.516884  0.4681513      5.241553  295.2995 40.80601 122.0146 51.97563 173.2849       66.08023 
1 1 1 16  8  22 o 317.3531 33.49453 24.57002       4.924645  24.06314       5.981851  25.63615       8.675374  310.9240 41.97154 312.1501 61.26957 -1.226013      74.26689 
1 1 1 16  8  23 o 265.0448 36.17717 17.40499       4.392681  19.56302       7.158714  16.10175       5.563123  271.7576 57.77865 249.7026 49.11154 22.05499       75.83084 
1 1 1 16  8  24 o 381.6724 24.33706 35.05046       4.346689  33.55669       6.062015  36.63120       6.235969  368.8586 35.37093 385.8246 34.73159 -16.96597      49.57203 
1 1 1 16  8  25 o 402.0500 24.58630 38.98554       4.627543  44.68085       6.709721  33.81910       6.390604  425.9842 33.76083 368.3802 37.39722 57.60400       50.38200 
1 1 1 16  8  26 o 173.8149 50.03600 8.037745       4.312282  9.743097       5.211364  4.334126       7.679931  189.5177 55.13574 157.9627 64.74828 31.55505       85.04287 
1 1 1 16  8  27 o 220.1484 39.52879 12.46737       3.943091  14.59835       5.423554  10.07807       5.742883  232.7157 50.95587 190.7775 58.46495 41.93820       77.55418 
1 1 1 16  8  28 o 131.8466 48.17616 4.055393       3.892055  0.4003555      5.206058  8.686684       5.860222  116.6896 50.76657 177.3449 59.53200 -60.65531      78.23876 
1 1 1 16  8  29 o 124.6674 51.95763 2.188481       5.058214  1.167955       6.669588  3.570155       7.760499  131.2317 57.26935 149.3392 63.42032 -18.10748      85.45125 
1 1 1 16  8  30 o 253.5157 36.62378 16.66663       4.240920  18.98930       7.196961  15.43111       5.249056  251.1372 61.42847 235.5366 48.97250 15.60065       78.56057 
1 1 1 16  8  31 o 133.9467 47.00553 4.782474       3.664515  4.759216       6.180707  4.795082       4.550613  142.7693 58.25278 136.7444 51.68385 6.024918       77.87558 
1 1 1 16  8  32 o 112.6650 46.76055 2.240547       4.072687  -4.129014      5.614661  9.313318       5.916483  96.18868 45.70026 170.1651 59.72659 -73.97646      75.20492 
1 1 1 16  8  33 o 90.05317 41.32781 -1.166795      3.983054  -1.137337      5.393210  -1.202140      5.907652  103.0609 47.58447 106.7201 49.45924 -3.659164      68.63307 
1 1 1 16  10 0  o 147.0649 29.36108 5.286058       1.960057  14.11415       5.081206  3.742798       2.124481  239.8335 46.71864 124.1618 34.91447 115.6717       58.32368 
1 1 1 16  10 1  f 854.7054 12.56982 171.9335       5.053761  180.8264       11.58161  169.8420       5.616715  875.3674 28.12608 849.4201 14.05693 25.94727       31.44318 
1 1 1 16  10 2  o 422.1386 14.35096 41.94898       2.849741  49.16766       6.731923  40.37299       3.145474  455.1826 31.63668 414.0859 16.14828 41.09668       35.51966 
1 1 1 16  10 3  o 1071.799 14.27209 270.4150       7.195654  292.5684       15.93228  264.7382       8.065065  1113.182 30.42585 1060.363 16.16903 52.81873       34.45533 
1 1 1 16  10 4  o 1084.955 16.50979 277.1731       8.426025  280.1427       15.48302  275.9235       10.04355  1089.316 30.21570 1082.247 19.72839 7.068726       36.08598 
1 1 1 16  10 5  o 537.4780 13.47155 67.99691       3.406023  72.31731       4.852463  63.80107       4.781998  554.0997 18.61680 520.4142 19.53399 33.68549       26.98448 
1 1 1 16  10 6  o 676.3412 13.31874 107.6713       4.237390  108.1852       5.916816  107.1302       6.071319  677.7118 18.55982 674.3678 19.13890 3.343994       26.66016 
1 1 1 16  10 7  o 512.5745 15.95313 61.86438       3.846559  69.56005       6.185649  57.01208       4.911745  543.1246 24.21121 491.8497 21.22922 51.27484       32.20035 
1 1 1 16  10 8  f 931.1635 16.11644 204.1781       7.059343  201.4564       8.700231  209.4233       12.07768  924.6384 20.00274 942.0042 27.25595 -17.36572      33.80823 
1 1 1 16  10 9  o 1335.742 19.12454 420.3889       12.01664  420.3330       22.01831  420.4125       14.34063  1332.869 35.11779 1335.280 22.83109 -2.410278      41.88697 
1 1 1 16  10 10 o 1026.930 17.93987 248.4491       8.666214  262.1582       16.97241  243.6143       10.07916  1052.585 34.27813 1016.570 21.07743 36.01453       40.23988 
1 1 1 16  10 11 o 639.7768 17.03927 96.42503       5.128008  99.20433       6.487165  91.79549       8.372517  648.6434 21.26080 623.3308 28.55408 25.31262       35.59996 
1 1 1 16  10 12 o 1263.313 16.36458 375.9730       9.724903  389.0877       14.09343  364.0529       13.43627  1284.097 23.33186 1242.158 22.99497 41.93982       32.75888 
1 1 1 16  10 13 o 539.8125 16.89647 68.66628       4.290503  66.90739       6.082044  70.40865       6.053431  532.3199 24.28888 546.1329 23.56318 -13.81293      33.84040 
1 1 1 16  10 14 o 992.6053 15.85191 232.1676       7.401630  235.0068       10.51753  229.3818       10.41815  997.7293 22.40947 985.7068 22.46848 12.02246       31.73353 
1 1 1 16  10 15 o 653.9833 36.98127 102.0809       11.33012  0.000000       0.000000  102.0809       11.33012  ?        ?        653.9833 36.98127 0.000000       36.98127 
1 1 1 16  10 16 o 347.3671 23.38060 28.66260       3.798211  26.47085       5.224275  31.12004       5.531877  331.8980 33.93948 360.3264 33.00343 -28.42847      47.34041 
1 1 1 16  10 17 o 125.2569 44.70942 3.266399       3.327846  6.352052       4.707989  0.1852120      4.704581  163.8016 53.29885 115.7102 49.26455 48.09144       72.57936 
1 1 1 16  10 18 o 144.5652 44.39099 5.070694       3.308889  2.543731       4.694104  7.566401       4.664984  131.1384 51.69263 174.7905 52.50846 -43.65215      73.68356 
1 1 1 16  10 19 f 502.3647 27.92744 60.30519       6.573576  51.18906       10.63968  65.93342       8.360061  454.4995 50.62548 523.3642 34.14460 -68.86475      61.06384 
1 1 1 16  10 20 o 243.3164 33.08942 14.46354       3.689066  17.10250       5.346773  12.06587       5.096476  261.2195 45.14577 217.0428 50.81414 44.17671       67.97218 
1 1 1 16  10 21 o 562.6068 19.30028 75.07732       5.107848  73.17763       7.151799  77.05525       7.297582  553.0615 27.48986 567.5801 27.33270 -14.51855      38.76556 
1 1 1 16  10 22 o 446.0165 21.64031 47.36786       4.540291  43.55997       6.480314  51.03931       6.363172  423.2115 32.80776 459.6624 29.58547 -36.45090      44.17747 
1 1 1 16  10 23 o 154.5074 50.26252 5.968434       4.186953  5.353634       4.982212  7.446493       7.725046  152.1942 54.66471 179.5512 67.45305 -27.35707      86.82249 
1 1 1 16  10 24 o 308.7457 29.11669 23.25109       4.178813  21.76764       5.761446  24.89773       6.070096  292.5723 43.15900 313.7146 42.20383 -21.14230      60.36442 
1 1 1 16  10 25 o 436.8314 26.69512 46.22571       5.459158  46.05047       6.769148  46.55173       9.232995  432.4070 33.54161 425.9340 46.85676 6.473022       57.62461 
1 1 1 16  10 26 o 141.0406 52.55073 4.454885       4.669875  -1.466409      8.783123  6.788469       5.513816  139.7086 63.03451 163.6031 57.63983 -23.89450      85.41486 
1 1 1 16  10 27 o 118.3368 46.67474 2.496548       3.829170  4.666736       5.491292  0.4425213      5.342309  146.2313 56.40274 118.7740 51.54955 27.45732       76.41090 
1 1 1 16  10 28 o 529.2138 24.18954 67.84597       6.021824  58.23425       9.745681  73.78207       7.658828  472.9091 44.32639 547.0182 29.87705 -74.10907      53.45528 
1 1 1 16  10 29 o 280.9634 62.93174 23.42450       8.110814  0.000000       0.000000  23.42450       8.110814  ?        ?        280.9634 62.93174 0.000000       62.93174 
1 1 1 16  10 30 o 164.9065 47.38830 7.628540       3.871040  13.38882       6.640633  4.663631       4.764235  207.4345 62.72343 137.8679 52.69611 69.56659       81.92136 
1 1 1 16  10 31 o 88.58820 40.72535 -1.688043      3.890521  -9.607611      5.331359  7.333532       5.690211  79.33573 39.18924 157.6832 58.15498 -78.34742      70.12702 
1 1 1 16  10 32 o 100.4699 46.88588 -2.296374      5.454321  0.000000       0.000000  -2.296374      5.454321  ?        ?        100.4699 46.88588 0.000000       46.88588 
1 1 1 16  12 0  o 491.2332 12.75930 56.79727       2.948384  53.29271       5.474832  58.22884       3.499134  474.7404 24.60013 497.3185 14.95742 -22.57809      28.79047 
1 1 1 16  12 1  o 1039.708 13.07161 254.4415       6.393071  255.7372       14.25304  254.1152       7.152988  1040.806 29.11177 1038.942 14.63615 1.863770       32.58392 
1 1 1 16  12 2  o 662.1123 12.52821 103.1816       3.902024  98.27587       8.777864  104.3898       4.356084  645.2175 28.92101 665.9240 13.90600 -20.70654      32.09052 
1 1 1 16  12 3  o 1090.713 14.02400 280.0520       7.195345  289.6552       15.73442  277.5128       8.090907  1107.503 30.20206 1085.626 15.84337 21.87634       34.10538 
1 1 1 16  12 4  o 910.3365 15.85614 195.1344       6.789985  188.5850       12.55222  197.8435       8.073110  893.6456 29.85974 916.4298 18.72718 -22.78418      35.24643 
1 1 1 16  12 5  o 829.9210 15.80836 162.1852       6.171532  150.6540       11.12320  167.3138       7.418056  798.7262 29.60482 842.7468 18.71215 -44.02063      35.02271 
1 1 1 16  12 6  o 820.1304 14.77394 158.3629       5.699657  167.6278       9.276572  152.7442       7.224049  843.1254 23.38978 805.1732 19.07314 37.95215       30.18056 
1 1 1 16  12 7  f 1119.510 14.61178 295.0873       7.694850  286.1864       10.52335  305.3149       11.28037  1101.959 20.30109 1138.101 21.07041 -36.14246      29.25913 
1 1 1 16  12 8  o 358.0355 17.29447 30.19678       2.912747  27.19972       3.874580  34.09174       4.417007  338.6674 24.48605 379.3055 24.89352 -40.63815      34.91782 
1 1 1 16  12 9  o 714.0555 14.14749 120.0542       4.752048  122.9796       6.708540  117.1081       6.732345  722.3296 19.74346 704.8322 20.30539 17.49744       28.32160 
1 1 1 16  12 10 o 986.5764 18.26397 229.3754       8.476083  242.2414       15.93925  224.3026       10.00853  1011.544 33.49759 975.2009 21.81759 36.34326       39.97619 
1 1 1 16  12 11 o 564.4040 19.39550 75.10272       5.149444  76.24852       10.22163  74.71303       5.961160  565.4108 38.66341 562.7044 22.52066 2.706360       44.74416 
1 1 1 16  12 12 o 780.7519 15.00099 143.5981       5.509372  139.7129       7.512196  148.1198       8.104309  769.5652 20.75163 792.2637 21.74588 -22.69843      30.05850 
1 1 1 16  12 13 o 226.2892 29.73128 12.33162       3.088202  11.98518       4.211333  12.73462       4.542160  220.6576 42.10876 227.2265 44.08506 -6.568924      60.96425 
1 1 1 16  12 14 o 720.7702 17.56777 122.5296       5.956385  113.7931       9.068008  129.1597       7.899556  693.1507 27.81089 739.3243 22.71425 -46.17365      35.90798 
1 1 1 16  12 15 o 345.4394 27.01035 28.45002       4.354127  31.53984       5.923650  24.81867       6.421804  362.1954 35.21296 318.7966 43.99498 43.39880       56.35167 
1 1 1 16  12 16 o 693.9446 19.86059 113.8114       6.483153  116.9598       7.647314  105.7670       12.22392  702.8749 23.12925 663.2128 39.35828 39.66211       45.65125 
1 1 1 16  12 17 o 110.6483 43.24628 1.849879       3.261319  3.839850       4.585915  -0.1863819     4.638946  140.3294 52.11753 112.3686 48.40244 27.96079       71.12688 
1 1 1 16  12 18 o 709.8450 18.87547 119.2140       6.302757  118.1727       7.940806  120.9869       10.36150  705.4803 23.92822 711.5790 30.95495 -6.098694      39.12504 
1 1 1 16  12 19 o 623.1528 17.96195 91.90017       5.265231  101.5635       7.741320  83.58193       7.182378  653.1494 25.19609 592.3494 25.77633 60.79999       36.04528 
1 1 1 16  12 20 o 323.2366 31.06559 25.31594       4.665380  42.98455       10.53980  21.01048       5.202847  410.4351 56.05639 291.7185 38.88295 118.7166       68.22171 
1 1 1 16  12 21 o 278.4059 29.11730 18.81383       3.756865  19.91831       5.396439  17.77510       5.233334  282.0846 41.94521 265.6411 43.37812 16.44354       60.34121 
1 1 1 16  12 22 o 224.9180 35.76715 12.60789       3.657529  16.68406       5.321314  8.957740       5.035563  255.3496 45.99268 184.9781 54.30778 70.37158       71.16644 
1 1 1 16  12 23 o 153.8746 50.64067 5.923530       4.245626  6.432057       5.038889  4.678954       7.882944  161.1328 55.19727 163.4073 66.11417 -2.274551      86.12678 
1 1 1 16  12 24 o 273.2153 39.02103 18.80078       4.872553  21.27231       5.761719  12.59513       9.129846  288.5617 43.82480 213.1256 74.22807 75.43604       86.19987 
1 1 1 16  12 25 o 457.2951 22.60007 50.14645       4.861560  42.65623       6.513637  59.56657       7.304737  415.8030 33.58848 492.9748 31.66755 -77.17181      46.16297 
1 1 1 16  12 26 o 95.61053 42.03720 -0.4459782     3.653449  -2.962299      5.000105  2.436199       5.351266  99.37765 45.86058 130.9105 53.89863 -31.53284      70.76902 
1 1 1 16  12 27 o 356.2912 31.93270 31.52157       5.295136  28.10345       9.631307  33.00231       6.339150  309.3266 68.04037 360.8297 37.91430 -51.50302      77.89086 
1 1 1 16  12 28 o 389.2998 27.00286 37.21918       4.914396  32.90726       7.689939  40.19594       6.389387  350.7576 47.85536 399.5555 34.32816 -48.79794      58.89447 
1 1 1 16  12 29 o 105.1167 44.14057 1.214699       3.691869  2.344828       6.553693  0.6893567      4.468307  134.4805 57.72216 109.3515 47.30212 25.12897       74.62800 
1 1 1 16  12 30 o 277.8952 51.98039 22.12842       6.545212  22.12842       6.545212  0.000000       0.000000  277.8952 51.98039 ?        ?        0.000000       51.98039 
1 1 1 16  12 31 f 221.2994 42.91407 13.63260       4.306112  2.225625       5.641802  29.55113       6.664755  123.4087 53.26755 325.8199 44.66003 -202.4112      69.51223 
1 1 1 16  14 0  o 402.0824 13.55739 38.06015       2.564250  33.20474       4.901897  39.88940       3.008754  373.9521 28.07110 411.5717 15.54075 -37.61963      32.08585 
1 1 1 16  14 1  o 772.6832 11.80216 140.5222       4.289755  156.9263       10.97803  137.5660       4.660278  815.1541 28.62961 764.4578 12.95952 50.69635       31.42616 
1 1 1 16  14 2  o 993.3282 13.03841 232.2711       6.092375  227.2295       13.50381  233.5595       6.826626  980.8023 29.26883 995.9739 14.57098 -15.17157      32.69523 
1 1 1 16  14 3  o 273.7141 18.36207 17.73036       2.350524  21.42093       6.250780  17.12255       2.536706  296.7670 46.28672 268.7805 20.21130 27.98654       50.50700 
1 1 1 16  14 4  o 401.9242 16.05749 38.04559       3.035925  35.16647       6.901098  38.73650       3.380623  383.2721 38.81247 405.4986 17.72303 -22.22647      42.66748 
1 1 1 16  14 5  o 177.9438 36.38778 7.770156       2.943098  0.000000       0.000000  7.770156       2.943098  ?        ?        177.9438 36.38778 0.000000       36.38778 
1 1 1 16  14 6  o 542.7614 15.24642 69.37620       3.892658  62.72295       8.287025  71.25982       4.409392  513.5984 34.50118 549.9928 17.04325 -36.39435      38.48121 
1 1 1 16  14 7  o 832.3574 13.41469 163.1200       5.252425  161.6265       7.231957  164.7873       7.641013  828.1470 18.56432 836.1273 19.42716 -7.980225      26.87096 
1 1 1 16  14 8  o 589.1779 13.85646 81.74084       3.840326  80.30417       5.152553  83.53635       5.760189  583.6933 18.76586 595.1956 20.57348 -11.50226      27.84646 
1 1 1 16  14 9  o 113.0344 37.86337 2.850492       2.370515  2.053164       3.051961  4.063024       3.763633  110.9554 42.23219 137.4033 47.66958 -26.44798      63.68631 
1 1 1 16  14 10 o 805.8846 14.21249 152.9701       5.387809  156.1675       7.453975  149.4719       7.796593  813.7535 19.47268 795.9646 20.82293 17.78894       28.50929 
1 1 1 16  14 11 o 257.8604 32.84789 16.01913       3.893908  2.925981       7.590877  20.69483       4.536212  160.3430 64.87661 293.4918 33.45484 -133.1488      72.99453 
1 1 1 16  14 12 o 1224.987 19.54167 354.1295       11.26062  355.5292       20.96108  353.5616       13.35075  1222.329 36.45491 1223.163 23.20342 -0.8341064     43.21296 
1 1 1 16  14 13 o 811.8969 15.10878 155.3949       5.770315  151.6863       7.826450  159.8119       8.541236  801.3351 20.76258 822.2858 22.08150 -20.95062      30.30969 
1 1 1 16  14 14 o 754.8422 17.20193 134.4700       6.108049  148.6029       9.727214  125.2696       7.848274  791.7703 26.11680 727.6049 22.93027 64.16534       34.75463 
1 1 1 16  14 15 o 712.7616 15.87194 119.8855       5.321618  118.9493       7.439474  120.8665       7.615418  708.8299 22.31161 714.4462 22.65974 -5.616272      31.80050 
1 1 1 16  14 16 o 129.8157 43.15273 3.890389       3.080071  4.684104       4.174423  2.941922       4.563260  144.7808 50.20516 132.7947 51.36140 11.98613       71.82306 
1 1 1 16  14 17 o 611.5396 24.19954 88.84518       6.961470  88.84518       6.961470  0.000000       0.000000  611.5396 24.19954 ?        ?        0.000000       24.19954 
1 1 1 16  14 18 f 339.1323 30.65423 27.76006       4.837362  36.68253       10.27932  25.22206       5.482354  378.2594 59.75495 321.2557 36.95132 57.00369       70.25706 
1 1 1 16  14 19 o 361.5443 22.96171 31.22744       3.884872  28.02093       5.357903  34.78188       5.641109  339.2258 34.03555 378.9985 31.93922 -39.77264      46.67475 
1 1 1 16  14 20 o 507.5204 19.28653 61.15472       4.604440  67.28089       6.577816  55.26896       6.447463  530.1798 26.37481 478.9445 28.75075 51.23526       39.01585 
1 1 1 16  14 21 o 561.1911 26.84200 75.58924       7.085898  0.000000       0.000000  75.58924       7.085898  ?        ?        561.1911 26.84200 0.000000       26.84200 
1 1 1 16  14 22 o 234.6969 41.80828 14.00226       4.446497  15.37456       5.997737  12.32759       6.625638  240.7894 54.25282 213.1586 62.21322 27.63087       82.54607 
1 1 1 16  14 23 o 132.8751 46.44092 4.119978       3.575286  12.59681       4.879996  -5.702309      5.253021  219.1827 48.60478 93.02649 44.19967 126.1562       65.69654 
1 1 1 16  14 24 o 144.1324 46.04441 5.248242       3.524900  1.135680       4.652331  10.79080       5.400941  117.4969 49.45595 199.7757 55.49036 -82.27880      74.33083 
1 1 1 16  14 25 o 243.4099 34.48170 14.84521       3.837753  9.878219       5.042728  21.68170       5.916095  190.8325 53.83660 289.5054 44.89580 -98.67296      70.10001 
1 1 1 16  14 26 o 140.1702 46.56753 4.981221       3.587020  5.053417       4.939475  4.900667       5.217566  146.3329 54.14033 146.4925 55.34824 -0.1595459     77.42483 
1 1 1 16  14 27 o 192.2610 43.06292 9.830919       3.797856  7.497028       5.883174  11.49841       4.972826  167.1126 59.46771 203.7652 51.77508 -36.65256      78.84838 
1 1 1 16  14 28 o 112.1868 45.12706 2.142469       3.649525  -2.246433      6.132887  4.548729       4.541072  111.5726 51.23265 137.6672 51.71695 -26.09459      72.79716 
1 1 1 16  14 29 o 112.0076 43.73334 2.558269       3.332623  -3.406659      5.080442  7.063597       4.415320  95.64794 44.83429 158.0237 51.62524 -62.37577      68.37601 
1 1 1 16  14 30 o 388.6102 27.24876 37.80178       4.949649  38.79311       6.984066  36.80143       7.015764  381.4874 39.49057 369.8370 41.01779 11.65042       56.93825 
1 1 1 16  16 0  o 970.2268 13.60153 221.6523       6.207693  213.2120       9.657690  227.5946       8.103428  950.7659 21.59386 982.7827 17.52839 -32.01672      27.81258 
1 1 1 16  16 1  o 316.5713 15.76073 23.60658       2.347021  21.58442       5.926171  23.98276       2.556023  298.2141 43.52763 318.5830 17.11858 -20.36896      46.77285 
1 1 1 16  16 2  o 884.4120 12.33713 184.1405       5.132608  209.7206       13.17471  179.5634       5.572910  941.7576 29.73943 873.2670 13.56643 68.49060       32.68764 
1 1 1 16  16 3  o 296.7148 15.72836 20.79657       2.187452  26.44174       6.519711  20.08048       2.322049  330.7560 42.91507 291.4372 17.01171 39.31873       46.16386 
1 1 1 16  16 4  o 702.9492 13.93501 116.3638       4.607872  0.000000       0.000000  116.3638       4.607872  ?        ?        702.9492 13.93501 0.000000       13.93501 
1 1 1 16  16 5  o 605.2146 13.82320 86.25799       3.935386  79.31036       8.848584  87.97108       4.393858  577.7751 32.69115 611.1102 15.28471 -33.33502      36.08786 
1 1 1 16  16 6  o 209.1527 28.76749 10.53786       2.755394  12.36029       6.597320  10.15280       3.032549  222.8511 61.10550 204.5423 32.61306 18.30878       69.26394 
1 1 1 16  16 7  o 599.8414 15.40440 84.77325       4.346608  92.03330       9.872508  83.02757       4.841056  622.0547 33.86637 593.4970 17.34012 28.55774       38.04748 
1 1 1 16  16 8  o 662.2633 13.65282 103.3071       4.253265  99.06898       5.691530  108.6672       6.400797  648.1287 18.66803 678.6590 20.04994 -30.53033      27.39517 
1 1 1 16  16 9  o 166.3834 33.21572 6.800529       2.508649  7.738620       3.005625  4.646255       4.554734  177.1028 37.25828 148.1209 52.36576 28.98184       64.26781 
1 1 1 16  16 10 o 942.8549 14.45818 209.4979       6.412506  209.0045       8.787077  210.0601       9.379156  940.9291 19.85264 943.0694 21.14223 -2.140320      29.00209 
1 1 1 16  16 11 o 1139.378 15.61590 306.1079       8.369594  297.0955       11.14394  317.7694       12.67636  1121.304 21.12741 1159.098 23.24906 -37.79358      31.41474 
1 1 1 16  16 12 o 479.8305 21.59428 54.44424       4.874116  52.73484       9.861642  54.99680       5.606816  465.8803 45.58328 481.2126 24.85394 -15.33231      51.91872 
1 1 1 16  16 13 o 193.5458 46.45461 9.406853       4.175684  0.000000       0.000000  9.406853       4.175684  ?        ?        193.5458 46.45461 0.000000       46.45461 
1 1 1 16  16 14 o 358.1373 19.47464 30.42138       3.268533  27.79003       4.290529  34.06025       5.045510  340.9118 26.97496 377.2596 28.64511 -36.34781      39.34706 
1 1 1 16  16 15 o 438.7813 17.94833 45.52032       3.704601  46.96304       5.085257  43.88879       5.407801  444.0405 24.43972 428.6301 26.95795 15.41037       36.38724 
1 1 1 16  16 16 o 438.2083 18.50215 45.44725       3.813925  42.87327       5.042652  48.88780       5.830025  423.7195 25.41690 451.9832 27.55228 -28.26376      37.48529 
1 1 1 16  16 17 o 231.0308 29.21431 12.96484       3.103975  11.78052       4.229623  14.34709       4.569410  216.2412 43.09374 239.5042 42.09448 -23.26299      60.24131 
1 1 1 16  16 18 o 351.2304 25.96300 29.61856       4.259194  28.10915       4.851704  34.69085       8.893921  340.7654 30.59293 369.4490 52.66727 -28.68356      60.90787 
1 1 1 16  16 19 o 85.02987 37.71307 -0.8635748     3.002831  -1.965147      4.046401  0.4866674      4.479899  93.77079 42.50235 113.1023 48.11208 -19.33150      64.19674 
1 1 1 16  16 20 o 319.0725 25.68441 24.53613       3.822383  27.09275       5.693622  22.43839       5.157402  331.2038 37.18726 301.0743 37.20742 30.12952       52.60498 
1 1 1 16  16 21 o 665.7219 17.56266 105.2084       5.499870  96.72009       7.371549  115.8662       8.260043  635.4598 24.66047 695.2104 25.25787 -59.75061      35.30012 
1 1 1 16  16 22 o 243.7395 31.01108 14.61520       3.475077  12.61294       4.594010  17.29326       5.313027  220.7169 45.74989 259.6742 45.13367 -38.95731      64.26586 
1 1 1 16  16 23 o 193.2311 43.54911 9.692750       3.863685  7.107180       4.727614  14.89299       6.704638  165.7626 53.36328 232.7105 60.63661 -66.94792      80.77399 
1 1 1 16  16 24 o 204.5772 36.44345 10.61411       3.378510  11.02067       4.664294  10.16536       4.900308  203.3639 49.27523 194.2408 52.41653 9.123138       71.94123 
1 1 1 16  16 25 o 266.8984 35.63332 17.93624       4.362020  20.24718       5.063918  11.29013       8.587668  281.9305 39.24799 199.9230 71.77261 82.00754       81.80289 
1 1 1 16  16 26 o 119.1281 44.86007 3.024639       3.420735  3.914982       5.340749  2.405320       4.454311  139.1527 55.04715 122.2840 49.62030 16.86874       74.11047 
1 1 1 16  16 27 o 105.1224 43.24403 1.470837       3.441055  2.636445       5.924298  0.8773756      4.227239  133.3563 55.95296 108.9369 46.54720 24.41946       72.78307 
1 1 1 16  16 28 o 237.0077 34.26093 14.44923       3.708854  10.84721       6.292933  16.36632       4.590935  189.0604 61.62574 248.3817 40.70303 -59.32130      73.85437 
1 1 1 16  16 29 f 124.1004 46.11232 3.797914       3.590831  10.77289       5.128628  -2.909334      5.029236  189.5557 54.56683 96.23125 44.94605 93.32449       70.69432 
1 1 1 16  18 0  o 300.9734 19.74369 21.46348       2.779790  0.000000       0.000000  21.46348       2.779790  ?        ?        300.9734 19.74369 0.000000       19.74369 
1 1 1 16  18 1  o 726.8186 13.95644 124.4431       4.771665  118.4305       9.970726  126.2292       5.434384  707.0485 29.97839 731.8563 15.78539 -24.80774      33.88041 
1 1 1 16  18 2  o 1131.582 13.65889 301.6248       7.270607  332.3425       17.96996  295.6121       7.950408  1183.719 32.27224 1120.060 15.08964 63.65918       35.62576 
1 1 1 16  18 3  o 847.9534 13.47067 169.3692       5.373168  0.000000       0.000000  169.3692       5.373168  ?        ?        847.9534 13.47067 0.000000       13.47067 
1 1 1 16  18 4  o 185.8770 33.68364 8.452256       2.836748  12.52378       6.483494  7.488281       3.154740  223.5040 60.28333 173.8959 39.46941 49.60811       72.05495 
1 1 1 16  18 5  o 333.5138 18.38705 26.31975       2.873518  32.72890       7.360541  25.16730       3.121193  367.5363 43.41175 325.8698 20.46529 41.66641       47.99384 
1 1 1 16  18 6  o 761.0198 16.25319 136.5545       5.818404  152.8538       12.30441  131.8601       6.603333  802.1650 32.60829 747.5153 18.77906 54.64972       37.62915 
1 1 1 16  18 7  o 134.5835 38.67277 4.423049       2.578130  -0.6379311     6.676566  5.309928       2.794910  133.0201 57.68044 146.6552 39.59029 -13.63515      69.96016 
1 1 1 16  18 8  o 1090.615 17.77729 280.6989       9.120241  272.2949       16.96348  284.1159       10.81655  1069.517 33.71770 1096.513 20.97034 -26.99622      39.70691 
1 1 1 16  18 9  o 159.8499 42.38545 6.351023       3.239006  5.000000       7.346014  6.677061       3.608734  169.3371 65.25822 164.0204 45.28382 5.316620       79.43085 
1 1 1 16  18 10 o 712.8102 14.03014 119.7989       4.704411  124.6055       6.465677  114.3918       6.857699  726.2402 18.92624 695.4889 20.96134 30.75134       28.24146 
1 1 1 16  18 11 o 281.7828 19.93893 18.86841       2.625866  15.17430       3.281019  25.45034       4.379560  251.1100 28.26794 325.8771 28.86862 -74.76711      40.40388 
1 1 1 16  18 12 o 737.8649 15.80042 128.5281       5.484220  121.8787       7.731627  135.2616       7.780317  717.0652 22.92150 755.6663 21.88759 -38.60101      31.69324 
1 1 1 16  18 13 o 635.9552 14.99860 95.47308       4.486901  95.24735       6.015740  95.75611       6.736051  634.2691 20.16258 635.4402 22.53520 -1.171143      30.23847 
1 1 1 16  18 14 o 370.8625 24.89701 32.85136       4.318204  14.32818       8.488783  39.31800       5.015647  234.1790 70.94038 405.4938 26.43968 -171.3148      75.70730 
1 1 1 16  18 15 o 740.7469 15.15568 129.6439       5.280980  129.2013       7.231999  130.1495       7.729684  737.9953 20.83222 740.2711 22.19738 -2.275757      30.44183 
1 1 1 16  18 16 o 566.2328 16.13132 75.83907       4.296693  79.00036       5.862237  72.16947       6.315984  576.6187 21.61252 550.3638 24.39618 26.25482       32.59256 
1 1 1 16  18 17 o 156.8535 38.38277 6.219369       2.808945  3.839557       3.614697  9.847198       4.462970  131.6426 46.63821 195.4550 48.71453 -63.81235      67.44055 
1 1 1 16  18 18 o 529.8561 17.20260 66.53838       4.287670  65.09221       5.820611  68.25415       6.339988  522.2879 23.69132 534.3115 25.22462 -12.02356      34.60579 
1 1 1 16  18 19 o 191.5667 44.36010 9.431521       3.918714  6.186089       4.442879  20.80262       8.316285  157.9391 51.79527 276.9336 64.96085 -118.9945      83.08226 
1 1 1 16  18 20 o 254.8038 27.89364 15.79193       3.288729  16.94215       4.474922  14.44105       4.849565  260.6960 37.57592 237.4612 45.06356 23.23480       58.67431 
1 1 1 16  18 21 f 584.6329 18.02109 81.21877       4.956026  80.10440       6.826140  82.46101       7.207127  577.8403 25.11297 585.7922 26.15467 -7.951965      36.25917 
1 1 1 16  18 22 o 356.5851 24.29485 30.64984       4.050896  29.29150       4.930293  33.47206       7.106643  346.1128 30.59726 364.1634 42.27210 -18.05063      52.18355 
1 1 1 16  18 23 o 521.0712 18.70901 64.71754       4.585824  65.31993       6.300406  64.03886       6.687563  520.4256 25.73597 513.5681 27.78555 6.857544       37.87317 
1 1 1 16  18 24 o 208.5518 34.14421 10.97483       3.233708  9.845388       4.478439  12.20515       4.674142  191.2925 49.41846 214.0971 47.63926 -22.80461      68.64170 
1 1 1 16  18 25 o 207.7588 38.12914 11.13906       3.589045  6.278241       5.685592  14.35913       4.627579  158.0903 58.15758 233.5949 43.72048 -75.50458      72.75839 
1 1 1 16  18 26 o 221.8708 44.11967 13.15456       4.442588  11.81332       5.683315  15.26159       7.123324  202.6154 57.15149 225.6280 64.10298 -23.01260      85.88064 
1 1 1 16  18 27 o 280.8077 28.00481 19.63613       3.649882  16.24554       5.789679  21.87232       4.701877  239.0161 52.89376 292.2137 34.89620 -53.19763      63.36793 
1 1 1 16  18 28 o 127.9090 46.54217 4.146668       3.627062  0.2298752      4.931926  8.760405       5.352759  109.6895 48.50649 171.2245 56.88603 -61.53506      74.75895 
1 1 1 16  20 0  o 358.4223 16.15803 30.30498       2.724287  25.13795       5.175086  32.28581       3.204204  322.9666 34.60230 369.7871 18.42040 -46.82053      39.19988 
1 1 1 16  20 1  o 438.0664 16.92130 45.28178       3.486927  0.000000       0.000000  45.28178       3.486927  ?        ?        438.0664 16.92130 0.000000       16.92130 
1 1 1 16  20 2  o 434.5124 12.73830 44.48824       2.603653  37.75268       7.828947  45.32583       2.760799  394.3544 42.89522 438.5418 13.38303 -44.18741      44.93446 
1 1 1 16  20 3  o 82.19044 31.30172 1.122722       1.677208  0.000000       0.000000  1.122722       1.677208  ?        ?        82.19044 31.30172 0.000000       31.30172 
1 1 1 16  20 4  o 321.1140 13.91023 24.30815       2.101179  26.60821       6.552268  24.04451       2.218334  330.0959 43.23655 319.3215 14.76827 10.77435       45.68918 
1 1 1 16  20 5  o 260.8395 15.13908 16.10088       1.849567  21.18609       6.676710  15.67822       1.924898  291.8268 50.46313 257.2905 15.98335 34.53629       52.93388 
1 1 1 16  20 6  o 360.3344 13.95595 30.61429       2.365563  34.69085       7.465622  30.15932       2.494077  377.4359 42.80577 357.5901 14.82706 19.84586       45.30095 
1 1 1 16  20 7  o 495.3565 14.96826 57.88572       3.487856  72.94888       9.268052  55.40041       3.764610  551.0723 35.94977 484.4485 16.51974 66.62387       39.56372 
1 1 1 16  20 8  o 323.3711 19.38303 24.81214       2.934841  15.14269       7.574332  26.52032       3.183534  242.3464 65.07024 334.2095 20.34670 -91.86317      68.17715 
1 1 1 16  20 9  o 350.2863 19.97008 29.12414       3.276949  27.36029       7.568924  29.53103       3.635322  331.6208 50.08051 352.3863 22.04160 -20.76541      54.71645 
1 1 1 16  20 10 o 662.1788 17.89930 103.6597       5.575459  98.33533       11.07622  105.4666       6.452556  638.6308 37.02888 667.3835 20.55356 -28.75275      42.35076 
1 1 1 16  20 11 o 692.2667 14.16225 113.1049       4.611847  111.4548       6.187282  115.1677       6.917995  686.2183 19.16763 697.0922 21.09700 -10.87390      28.50406 
1 1 1 16  20 12 o 381.3200 16.83370 34.37896       3.019525  35.50969       3.946547  32.78251       4.689394  386.2578 21.80972 369.8678 27.14215 16.38998       34.81897 
1 1 1 16  20 13 o 506.8666 15.11215 60.70265       3.603207  58.84413       4.707413  63.33209       5.599248  498.1785 20.08760 516.1702 23.06044 -17.99170      30.58260 
1 1 1 16  20 14 o 597.6191 14.72884 84.39466       4.140590  87.86857       5.645212  80.34966       6.091589  608.6739 19.71634 581.3824 22.27406 27.29144       29.74673 
1 1 1 16  20 15 o 191.9817 48.83059 9.483150       4.420125  13.22830       8.012465  7.844828       5.299456  223.2814 69.16325 176.6378 56.46020 46.64360       89.28219 
1 1 1 16  20 16 o 252.9324 22.72263 15.35534       2.674691  13.23946       3.353228  19.05617       4.434720  232.4928 31.46960 278.6445 34.57649 -46.15169      46.75328 
1 1 1 16  20 17 o 609.3022 15.33036 87.84861       4.393943  78.66142       5.667129  101.6956       6.957442  575.0582 20.94990 653.2406 22.64160 -78.18243      30.84705 
1 1 1 16  20 18 o 236.5519 25.62070 13.54480       2.805369  13.83713       3.633933  13.11358       4.413515  236.8074 33.56144 227.2384 42.86060 9.568985       54.43713 
1 1 1 16  20 19 o 380.0062 19.34679 34.42187       3.446913  29.55802       4.384007  42.29678       5.578321  349.8696 26.84229 418.2145 28.52562 -68.34491      39.16911 
1 1 1 16  20 20 o 301.8845 23.40701 21.93045       3.297974  20.42859       4.299096  24.07823       5.141122  288.3896 32.24223 311.9514 35.67657 -23.56177      48.08720 
1 1 1 16  20 21 o 127.3711 44.18266 3.793723       3.233112  3.656963       3.927015  4.081451       5.696044  130.5172 48.27682 145.7883 57.10537 -15.27104      74.77750 
1 1 1 16  20 22 o 442.5975 18.98641 46.71266       3.952948  42.07387       5.266721  52.69693       5.981962  416.3330 27.03888 465.9180 27.41466 -49.58502      38.50539 
1 1 1 16  20 23 o 106.3101 41.16690 2.052857       2.934259  -1.364227      4.172590  5.395876       4.127122  96.89741 43.60781 146.4548 49.95546 -49.55740      66.31130 
1 1 1 16  20 24 o 196.2667 32.76926 9.745635       2.918725  9.464818       4.047654  10.04982       4.212693  187.7106 46.16135 193.2052 46.83852 -5.494598      65.76259 
1 1 1 16  20 25 o 80.54939 36.12043 -0.8872898     2.834368  1.880797       4.354137  -2.922814      3.733794  116.9476 48.42803 82.67744 38.65274 34.27012       61.96215 
1 1 1 16  20 26 o 139.6729 42.80550 5.221625       3.078452  1.874852       4.888665  7.420804       3.962847  120.1794 50.64670 163.3740 48.23765 -43.19456      69.94254 
1 1 1 16  22 0  o 192.3175 27.48326 8.969881       2.415605  1.801476       4.385540  12.09193       2.894222  122.4551 49.39429 223.7114 28.12426 -101.2564      56.83986 
1 1 1 16  22 1  o 505.4030 14.07885 60.25731       3.347143  50.59805       5.560725  65.74542       4.191515  460.8222 25.75551 527.5723 16.88962 -66.75009      30.79944 
1 1 1 16  22 2  o 423.3112 13.89352 42.26920       2.766568  0.000000       0.000000  42.26920       2.766568  ?        ?        423.3112 13.89352 0.000000       13.89352 
1 1 1 16  22 3  o 978.1985 14.48564 225.7785       6.665519  0.000000       0.000000  225.7785       6.665519  ?        ?        978.1985 14.48564 0.000000       14.48564 
1 1 1 16  22 4  o 641.8370 13.32803 97.15984       4.024018  100.0297       9.771055  96.57368       4.415881  646.9816 32.10556 639.7109 14.67453 7.270630       35.30027 
1 1 1 16  22 5  o 622.5490 12.02444 91.36669       3.521338  86.23663       9.359236  92.21265       3.800601  599.3456 33.32830 625.3131 12.92068 -25.96747      35.74520 
1 1 1 16  22 6  o 415.6683 13.41851 40.75874       2.623738  40.36861       7.619956  40.81122       2.794628  407.0344 40.32788 415.8536 14.28612 -8.819153      42.78354 
1 1 1 16  22 7  o 602.3215 14.16789 85.62231       4.014235  75.83235       9.322525  87.85064       4.447684  560.7334 35.52694 609.9028 15.50258 -49.16937      38.76202 
1 1 1 16  22 8  o 309.6046 17.78834 22.74644       2.579787  28.91201       7.341354  21.87782       2.755525  341.1235 46.99827 303.3584 19.41165 37.76514       50.84928 
1 1 1 16  22 9  o 693.9398 13.64759 113.6577       4.454992  125.6837       11.54839  111.5551       4.828757  723.2239 33.94528 687.2545 14.93649 35.96942       37.08613 
1 1 1 16  22 10 o 517.9255 15.46168 63.38934       3.766979  60.87991       9.678812  63.83731       4.089414  498.7565 41.63445 519.5438 16.73284 -20.78726      44.87110 
1 1 1 16  22 11 o 267.4247 25.83972 17.20460       3.210065  32.93698       9.061228  14.94677       3.432690  359.6221 55.33787 248.0803 30.02664 111.5418       62.95934 
1 1 1 16  22 12 o 139.8098 44.09151 4.765889       3.240251  19.17360       7.989917  1.929909       3.544837  268.9439 64.06927 113.6938 44.88776 155.2500       78.22903 
1 1 1 16  22 13 o 555.0726 14.55080 72.81483       3.799321  80.42524       5.214271  64.20132       5.547280  582.3703 19.03378 519.4313 22.70297 62.93903       29.62616 
1 1 1 16  22 14 o 425.1671 17.18680 42.81287       3.437351  42.92512       4.241498  42.59810       5.867148  424.9541 21.21817 420.1790 29.87880 4.775024       36.64633 
1 1 1 16  22 15 o 212.2527 25.77439 10.91932       2.520621  9.441363       3.296176  13.00084       3.911736  194.0145 37.47323 228.4296 37.72058 -34.41505      53.17035 
1 1 1 16  22 16 o 239.9332 33.94457 14.19351       3.724231  9.717599       8.214835  15.35144       4.178284  197.6686 70.27830 248.7351 36.82275 -51.06657      79.34074 
1 1 1 16  22 17 o 253.9469 23.10167 15.51325       2.729480  15.11714       3.526145  16.10539       4.311287  248.5223 30.82403 254.5124 37.10155 -5.990158      48.23532 
1 1 1 16  22 18 o 204.7717 45.68463 10.83814       4.288767  0.000000       0.000000  10.83814       4.288767  ?        ?        204.7717 45.68463 0.000000       45.68463 
1 1 1 16  22 19 o 367.9449 18.80873 32.28893       3.244575  33.74004       4.281543  30.33154       4.972674  374.3853 24.44572 352.7253 30.26289 21.66003       38.90290 
1 1 1 16  22 20 o 337.9717 20.33289 27.35502       3.217532  26.25933       4.204004  28.90438       4.999155  328.7068 27.43934 343.3521 31.29567 -14.64529      41.62134 
1 1 1 16  22 21 o 183.4623 65.92619 8.810940       7.247225  0.000000       0.000000  8.810940       7.247225  ?        ?        183.4623 65.92619 0.000000       65.92619 
1 1 1 16  22 22 o 325.4621 29.10567 26.02407       4.408994  26.02407       4.408994  0.000000       0.000000  325.4621 29.10567 ?        ?        0.000000       29.10567 
1 1 1 16  22 23 f 76.78281 34.13813 -0.6480354     2.475037  0.7696843      3.449334  -2.152633      3.553451  100.6088 42.47852 84.21110 38.79008 16.39773       57.52474 
1 1 1 16  22 24 o 70.60052 33.07384 -2.399467      2.757712  -6.739002      4.581952  0.6534059E-01  3.453190  79.86119 38.78080 95.18236 41.37775 -15.32117      56.71040 
1 1 1 16  24 0  o 398.4490 16.61087 37.53837       3.113395  48.18404       5.569877  32.70061       3.754754  448.8560 26.49714 370.5970 21.63223 78.25906       34.20602 
1 1 1 16  24 1  o 334.1832 18.97957 26.53047       2.971292  14.03389       7.077973  29.20382       3.273720  231.6220 63.20217 350.4919 19.93852 -118.8699      66.27261 
1 1 1 16  24 2  o 178.6600 24.72639 7.733518       2.022350  21.09988       5.931536  5.975351       2.151249  291.0418 44.75920 155.4424 30.50997 135.5994       54.16866 
1 1 1 16  24 3  o 615.8371 12.29957 89.45915       3.563075  93.19263       9.397269  88.83230       3.850596  622.5428 32.19969 613.5194 13.34229 9.023438       34.85450 
1 1 1 16  24 4  o 73.20561 29.77323 0.5214677      1.608019  5.594531       6.107287  0.1435844      1.666833  162.9608 60.21926 70.12500 29.56409 92.83583       67.08498 
1 1 1 16  24 5  o 367.2050 14.43972 31.84376       2.494231  37.12842       7.257238  31.13592       2.656027  389.3349 40.20472 362.9825 15.55527 26.35236       43.10900 
1 1 1 16  24 6  f 272.9495 16.46331 17.68041       2.103930  19.94352       6.598536  17.42429       2.219790  279.8939 52.03218 270.7993 17.51977 9.094666       54.90255 
1 1 1 16  24 7  o 209.7321 19.03382 10.50578       1.857395  14.16171       6.731725  10.20452       1.932408  232.5227 60.84208 206.4856 20.15166 26.03708       64.09250 
1 1 1 16  24 8  f 343.3970 14.98298 27.86462       2.420270  21.23365       6.934243  28.78448       2.582694  288.2964 53.08783 348.9358 15.73469 -60.63931      55.37055 
1 1 1 16  24 9  o 500.2260 14.49075 59.11584       3.409780  72.41380       9.729931  57.25408       3.640655  545.2852 38.17374 492.0916 15.72766 53.19357       41.28673 
1 1 1 16  24 10 o 541.7159 17.13403 69.46197       4.366168  0.000000       0.000000  69.46197       4.366168  ?        ?        541.7159 17.13403 0.000000       17.13403 
1 1 1 16  24 11 o 863.0723 19.73715 176.7298       8.013106  0.000000       0.000000  176.7298       8.013106  ?        ?        863.0723 19.73715 0.000000       19.73715 
1 1 1 16  24 12 o 539.6334 17.29434 68.96759       4.390076  76.24852       10.90982  67.56085       4.795459  556.7054 41.96896 533.6967 19.10145 23.00867       46.11138 
1 1 1 16  24 13 o 312.1705 23.50938 23.35356       3.426908  21.94412       8.617064  23.61835       3.734967  286.1150 65.44544 313.4221 25.55553 -27.30719      70.25803 
1 1 1 16  24 14 o 332.8023 23.57862 26.54678       3.667360  27.14328       8.505823  26.41057       4.064566  322.2187 58.26177 331.1909 26.30620 -8.972229      63.92535 
1 1 1 16  24 15 o 242.4134 34.14753 14.50843       3.785999  0.000000       0.000000  14.50843       3.785999  ?        ?        242.4134 34.14753 0.000000       34.14753 
1 1 1 16  24 16 o 428.6071 15.87068 43.52376       3.199809  42.61554       4.243432  44.72087       4.871787  422.3291 21.43000 431.7859 24.08150 -9.456818      32.23606 
1 1 1 16  24 17 o 200.9174 29.29299 9.935828       2.687103  10.82640       3.699373  8.941159       3.909611  206.5207 39.51958 185.6379 45.19491 20.88283       60.03646 
1 1 1 16  24 18 o 236.6778 30.63494 13.79858       3.330668  7.678360       6.808392  15.72405       3.818823  176.3134 63.82564 252.0189 33.00601 -75.70549      71.85477 
1 1 1 16  24 19 o 107.2815 37.75280 2.583479       2.364738  0.7843629      3.152184  4.899312       3.576313  98.17560 40.97487 140.3973 46.49104 -42.22168      61.97061 
1 1 1 16  24 20 o 342.6436 18.46850 28.08194       2.965766  31.72706       4.285177  24.73066       4.108831  361.6739 25.34753 318.1371 27.73320 43.53683       37.57163 
1 1 1 16  24 21 o 135.6812 36.58035 4.754551       2.387916  5.247824       3.455721  4.303786       3.303468  142.5956 45.59423 131.8156 44.69479 10.77998       63.84715 
1 1 1 16  24 22 o 149.6298 40.15320 5.901981       2.885126  8.145168       3.245043  -2.560940      6.303008  175.8720 40.11267 113.1457 51.94883 62.72631       65.63313 
1 1 1 16  26 0  o 348.8375 21.54466 29.01100       3.518043  17.38407       8.433445  31.46055       3.870933  254.7469 68.77180 363.0377 22.78251 -108.2908      72.44725 
1 1 1 16  26 1  o 559.9455 16.08119 74.14780       4.235779  71.52200       8.881120  74.92097       4.819219  543.4446 34.92604 562.4247 18.21558 -18.98010      39.39080 
1 1 1 16  26 2  f 122.3315 33.57342 3.717441       1.990532  -1.320155      5.909244  4.362209       2.114083  119.6657 52.99797 132.1186 33.86064 -12.45285      62.89139 
1 1 1 16  26 3  o 395.3488 14.14894 36.91677       2.631321  36.26635       7.189574  37.01737       2.827498  384.2538 40.37947 395.7609 15.18798 -11.50714      43.14136 
1 1 1 16  26 4  f 170.3147 24.20348 7.039209       1.884540  10.99287       6.024477  6.610371       1.984114  205.7988 59.11133 164.4359 26.55575 41.36293       64.80245 
1 1 1 16  26 5  o 299.4504 52.44701 22.85672       7.118577  22.85672       7.118577  0.000000       0.000000  299.4504 52.44701 ?        ?        0.000000       52.44701 
1 1 1 16  26 6  o 292.6895 18.38099 20.37355       2.517877  14.01011       6.541893  21.48013       2.728032  231.0820 59.74277 300.3769 19.41077 -69.29495      62.81701 
1 1 1 16  26 7  o 375.7531 13.62179 33.34297       2.407720  34.78003       7.585110  33.18195       2.539032  374.5094 43.88779 374.7553 14.40294 -0.2459106     46.19072 
1 1 1 16  26 8  o 402.4043 12.75305 38.22461       2.414048  50.83235       8.438294  37.10077       2.519344  455.3368 39.79582 396.3564 13.51239 58.98035       42.02728 
1 1 1 16  26 9  f 523.3605 12.92730 64.67123       3.182571  0.000000       0.000000  64.67123       3.182571  ?        ?        523.3605 12.92730 0.000000       12.92730 
1 1 1 16  26 10 o 722.2411 12.70652 123.1614       4.316960  100.6243       11.08955  127.1866       4.686649  642.8035 36.82808 733.7488 13.57831 -90.94525      39.25147 
1 1 1 16  26 11 o 107.9875 30.65224 2.880558       1.629504  10.63912       6.640562  2.383446       1.680897  201.7716 63.04083 100.0975 31.77701 101.6741       70.59692 
1 1 1 16  26 12 o 72.43444 31.08696 -0.5543272E-01 1.900499  9.096314       6.832600  -0.8228628     1.978579  189.6109 64.27844 67.43472 30.21338 122.1762       71.02511 
1 1 1 16  26 13 o 98.43291 39.55044 1.247045       2.799868  -1.096017      6.430620  1.795116       3.110139  124.7273 55.26080 107.1478 42.12740 17.57947       69.48722 
1 1 1 16  26 14 o 172.9976 41.18050 7.664624       3.302894  7.708087       6.789675  7.651151       3.780336  178.1242 63.83194 172.0512 45.87157 6.072998       78.60482 
1 1 1 16  26 15 f 69.56926 32.64976 -2.633361      2.708257  11.35850       6.406093  -5.678323      2.988453  205.1787 61.50822 61.83368 30.30549 143.3450       68.56882 
1 1 1 16  26 16 o 497.7613 21.01769 59.15112       4.921251  0.000000       0.000000  59.15112       4.921251  ?        ?        497.7613 21.01769 0.000000       21.01769 
1 1 1 16  26 17 o 187.7702 49.82484 9.372992       4.473699  3.516647       6.090826  16.23365       6.592434  144.2179 58.19737 243.6239 58.30324 -99.40599      82.37840 
1 1 1 16  26 18 f 171.6038 52.07072 7.849294       4.570693  2.472949       6.621126  12.74376       6.317436  141.0455 59.16426 213.7481 60.24288 -72.70253      84.43705 
1 1 1 16  26 19 f 119.5679 53.49958 -1.018430      6.181751  -1.018430      6.181751  0.000000       0.000000  119.5679 53.49958 ?        ?        0.000000       53.49958 
1 1 1 16  26 20 o 116.4576 48.28019 1.712733       4.334689  2.315101       6.318452  1.177170       5.957785  135.9804 57.45673 127.2443 54.83139 8.736061       79.42139 
1 1 1 16  28 0  o 156.3234 45.78376 6.165451       3.582735  -0.9702736     6.125882  9.875150       4.416914  123.0473 54.25441 195.8627 48.25432 -72.81535      72.60868 
1 1 1 16  28 1  o 242.9703 25.56535 14.24631       2.878123  11.71522       5.871051  15.04700       3.302126  211.4184 57.50909 248.9747 28.72164 -37.55630      64.28240 
1 1 1 16  28 2  o 138.5050 32.15275 4.799699       2.054558  9.170631       5.797467  4.171902       2.197157  189.0638 58.87584 129.1896 35.19753 59.87422       68.59469 
1 1 1 16  28 3  o 302.8795 17.32228 21.79822       2.457750  10.55589       6.721040  23.53363       2.640639  201.6937 63.48792 314.6326 17.91582 -112.9389      65.96736 
1 1 1 16  28 4  o 407.0995 15.91022 39.21399       3.046815  39.65517       7.281425  39.12035       3.354614  401.7339 39.02322 406.3504 17.54982 -4.616486      42.78794 
1 1 1 16  28 5  o 122.3225 39.26612 3.588794       2.561116  7.158146       5.946704  2.775972       2.837784  172.6345 59.91896 114.6041 41.24607 58.03042       72.74284 
1 1 1 16  28 6  o 246.6794 18.30368 14.50683       2.108787  14.50951       6.508210  14.50652       2.229043  234.2243 59.07681 246.4768 19.38164 -12.25249      62.17489 
1 1 1 16  28 7  o 415.7974 13.91101 40.86069       2.720882  38.40666       7.712114  41.20957       2.907869  393.3892 42.34252 417.4345 14.80871 -24.04526      44.85741 
1 1 1 16  28 8  o 728.5975 13.89628 125.4805       4.762726  0.000000       0.000000  125.4805       4.762726  ?        ?        728.5975 13.89628 0.000000       13.89628 
1 1 1 16  28 9  f 523.3062 12.77484 64.69121       3.144710  53.50773       8.168280  66.63723       3.407347  466.9181 37.50602 530.9567 13.64231 -64.03857      39.91007 
1 1 1 16  28 10 o 510.4368 17.28303 61.79207       4.149837  41.43877       7.584057  70.49023       4.957897  409.0530 39.92313 544.6083 19.35281 -135.5554      44.36651 
1 1 1 16  28 11 o 178.9286 50.77532 8.339505       4.471943  13.56124       6.159120  2.517539       6.503487  225.1674 57.84257 143.2239 59.23747 81.94353       82.79397 
1 1 1 16  28 12 o 256.8206 38.52809 16.52954       4.510944  8.677171       5.785058  28.70987       7.205047  182.5340 59.05843 335.5506 46.93092 -153.0166      75.43480 
1 1 1 16  28 13 o 217.6882 44.58811 12.23853       4.412292  13.26695       5.870893  10.90369       6.688619  222.1500 56.15273 200.8599 63.34851 21.29005       84.65319 
1 1 1 16  28 14 o 342.4763 30.89747 28.71988       4.924032  23.98335       6.491765  35.13675       7.556044  305.1237 46.71619 371.9634 44.03922 -66.83966      64.20168 
1 1 1 16  28 15 o 222.7347 59.62701 13.70393       6.371364  0.000000       0.000000  13.70393       6.371364  ?        ?        222.7347 59.62701 0.000000       59.62701 
1 1 1 16  28 16 o 290.4807 34.83978 21.07925       4.665624  24.08442       7.173821  18.87634       6.142056  300.3508 52.69718 266.2454 50.89656 34.10544       73.26290 
1 1 1 16  30 0  o 161.1661 35.82860 6.561929       2.645901  7.805082       3.332340  4.441142       4.352467  174.7263 41.21183 141.3107 51.05061 33.41557       65.60930 
1 1 1 16  30 1  o 181.0036 32.95903 8.165473       2.702889  7.702141       5.528505  8.311006       3.098438  174.5959 57.80309 181.3583 37.55531 -6.762421      68.93183 
1 1 1 16  30 2  o 202.5117 22.19026 9.890599       2.079275  8.629608       5.109857  10.14083       2.276247  182.1956 55.00529 204.6394 24.10876 -22.44380      60.05676 
1 1 1 16  30 3  o 334.3256 18.35153 26.61617       2.875059  27.69025       6.398534  26.34446       3.218235  332.8210 41.79109 332.0553 20.70652 0.7656860      46.63963 
1 1 1 16  30 4  o 165.7197 45.93190 7.064275       3.704710  7.818074       5.333452  6.361475       5.149873  175.0403 56.71398 161.8624 55.78400 13.17792       79.55081 
1 1 1 16  30 5  o 170.7690 45.93151 7.527457       3.770099  9.378716       5.399995  5.766944       5.265980  188.9814 56.43118 157.3036 56.23161 31.67778       79.66475 
1 1 1 16  30 6  o 164.8249 46.34400 6.999779       3.743289  8.813912       5.461383  5.392390       5.140773  183.7613 57.13058 153.4942 55.47690 30.26706       79.63409 
1 1 1 16  30 7  o 257.9406 33.21013 16.40795       3.935981  15.71344       5.718147  17.03329       5.425973  245.0710 51.24981 257.5480 46.49784 -12.47704      69.19965 
1 1 1 16  30 8  o 114.3492 44.93610 2.145553       3.537007  1.431332       5.124908  2.795185       4.887685  124.7113 52.16475 131.6165 52.47202 -6.905190      73.98969 
1 1 1 16  30 9  o 392.9859 26.43003 37.30553       4.857489  32.90726       7.031867  41.31986       6.717933  361.7378 42.11270 409.6246 35.20637 -47.88678      54.89051 
1 1 1 16  30 10 o 249.7536 35.22330 15.54756       4.023293  22.13437       6.062212  10.36266       5.378533  293.9849 45.29088 196.5583 55.65223 97.42654       71.75259 
1 1 1 16  30 11 o 415.0653 26.42663 41.68675       5.132888  36.56362       7.056427  47.44352       7.480085  381.8557 39.87210 437.3978 36.69378 -55.54202      54.18687 
1 1 1 16  30 12 o 120.5799 46.66210 2.714482       3.767999  -2.978597      5.333152  8.388824       5.324368  103.6149 47.65128 177.5856 56.57477 -73.97074      73.96857 
1 1 1 16  32 0  o 122.6966 45.54534 3.151122       3.501351  8.662308       5.192181  -1.445303      4.741736  180.7360 55.62503 104.1497 46.71012 76.58632       72.63593 
1 1 1 16  32 1  o 355.3266 26.03999 30.54506       4.322178  28.94174       6.390874  31.89655       5.867566  339.0702 40.89374 359.1249 35.18501 -20.05478      53.94704 
1 1 1 16  32 2  o 187.5517 41.90875 9.081525       3.604278  7.431630       5.192763  10.61534       5.006762  169.7421 56.01200 199.4376 52.60920 -29.69559      76.84446 
1 1 1 16  32 3  o 105.8583 42.66043 1.525099       3.268038  0.7428657      4.778361  2.212545       4.479507  116.5777 49.64199 123.3648 49.86465 -6.787170      70.36200 
1 1 1 16  32 4  o 353.2975 25.68427 30.18525       4.239314  30.23187       6.136433  30.14269       5.863467  347.9879 38.11031 348.3811 36.31289 -0.3931580     52.64050 
1 1 1 17  1  0  o 629.2583 17.44212 93.39764       5.162946  94.67896       7.399364  92.18193       7.207435  632.6309 24.86421 624.2789 24.54329 8.351990       34.93711 
1 1 1 17  1  1  o 578.9710 17.91323 79.07043       4.878654  78.15102       6.948511  79.96433       6.851431  574.7136 25.70224 581.4294 25.05042 -6.715881      35.89051 
1 1 1 17  1  2  o 491.3732 15.36503 56.90452       3.551519  51.33770       6.112859  59.74110       4.363530  464.7818 28.09128 503.2465 18.43266 -38.46466      33.59885 
1 1 1 17  1  3  o 676.2051 14.75071 107.7316       4.692030  111.3555       8.427324  106.1035       5.648483  686.2288 26.10667 670.8040 17.90057 15.42487       31.65420 
1 1 1 17  1  4  o 357.0804 15.97487 30.04331       2.683321  28.65886       3.756054  31.48638       3.834746  347.6599 23.09864 364.5519 22.47139 -16.89197      32.22593 
1 1 1 17  1  5  o 1346.095 15.65368 426.8189       9.912000  426.5457       14.01812  427.0920       14.01725  1344.650 22.16212 1345.513 22.14652 -0.8635254     31.33094 
1 1 1 17  1  6  o 1207.566 15.03439 343.3954       8.540160  346.2823       12.19931  340.6209       11.95948  1211.869 21.39983 1201.956 21.15215 9.912720       30.08931 
1 1 1 17  1  7  o 477.8395 15.31135 53.76580       3.441635  50.53205       4.782866  57.23815       4.956172  462.9637 21.96200 492.7574 21.38178 -29.79376      30.65143 
1 1 1 17  1  8  o 557.0510 15.06455 73.06057       3.947484  73.73895       5.626010  72.40275       5.540151  559.3349 21.38254 554.2512 21.24935 5.083679       30.14544 
1 1 1 17  1  9  o 165.9831 37.38829 6.777680       2.849116  6.926414       4.186774  6.649398       3.888280  169.1586 49.47876 165.4174 47.48167 3.741165       68.57591 
1 1 1 17  1  10 o 1208.447 18.43409 343.9980       10.47897  332.9370       17.18022  350.5510       13.22360  1187.249 30.76222 1219.380 23.05374 -32.13074      38.44202 
1 1 1 17  1  11 o 1168.089 16.20033 321.3105       8.901619  321.9632       12.49174  320.6371       12.68814  1168.580 22.72455 1166.120 23.13052 2.459839       32.42570 
1 1 1 17  1  12 o 937.7614 15.47645 207.0829       6.827049  203.3272       9.629066  210.8792       9.680956  928.6472 22.04266 945.7650 21.76034 -17.11774      30.97404 
1 1 1 17  1  13 o 535.4218 17.45485 67.53754       4.396240  61.77468       6.051144  73.97953       6.397772  511.6179 25.14331 559.9453 24.28924 -48.32739      34.95930 
1 1 1 17  1  14 o 698.8699 19.25200 115.1283       6.329092  113.5260       7.638213  118.6385       11.30543  693.6269 23.40973 707.8137 33.95461 -14.18683      41.24235 
1 1 1 17  1  15 f 119.0697 47.30092 1.805633       3.958778  21.24554       7.817667  -4.898461      4.590924  292.2839 58.89474 89.92838 42.30209 202.3555       72.51247 
1 1 1 17  1  16 o 152.0233 49.41191 5.363575       4.046761  7.949822       5.009719  0.5071344      6.864951  180.9191 54.42858 141.1703 59.78296 39.74883       80.84845 
1 1 1 17  1  17 o 592.7646 22.16070 82.99036       6.179240  83.29370       10.77734  82.84180       7.542032  590.0098 39.05223 591.6199 27.10043 -1.610107      47.53430 
1 1 1 17  1  18 o 531.1492 22.53738 66.69736       5.631047  65.48752       9.574036  67.33724       6.962690  522.1845 39.26382 532.2504 27.90663 -10.06592      48.17081 
1 1 1 17  1  19 o 405.6398 26.96845 39.21693       5.116632  36.80743       6.309136  43.84661       8.745438  391.2298 34.64032 424.4536 44.46063 -33.22385      56.36221 
1 1 1 17  1  20 o 659.7729 18.83344 102.9291       5.845119  105.7178       8.311689  100.2005       8.221540  666.9218 26.49385 649.1749 26.92292 17.74695       37.77258 
1 1 1 17  1  21 o 151.5728 47.64103 5.604222       3.786126  6.445553       5.273210  4.709012       5.439441  165.6223 56.46740 152.5541 56.74034 13.06824       80.05019 
1 1 1 17  1  22 o 442.9197 23.49440 46.81903       4.877562  50.69679       7.121183  43.39214       6.694409  457.6795 33.30506 423.0233 33.92723 34.65622       47.54245 
1 1 1 17  1  23 o 178.9996 57.08470 8.162574       5.419701  11.14447       7.373372  4.658145       7.993340  206.1121 66.67341 166.3646 66.83298 39.74748       94.40334 
1 1 1 17  1  24 o 251.3662 35.65647 15.69995       4.097955  12.39171       5.841357  18.90606       5.750479  215.2858 56.84201 271.5660 46.69882 -56.28023      73.56490 
1 1 1 17  1  25 o 153.3609 51.47293 5.880545       4.380970  12.77943       7.510956  2.323208       5.393470  214.2783 67.06094 131.9498 54.19331 82.32851       86.22114 
1 1 1 17  1  26 o 170.6268 52.07959 7.729147       4.562470  3.546686       5.702424  15.16944       7.605690  141.1779 56.54279 230.3754 66.48900 -89.19748      87.28043 
1 1 1 17  1  27 o 186.1789 46.25902 9.223550       4.033385  10.09394       5.832989  8.426075       5.583333  190.9158 58.99089 176.6200 58.07058 14.29579       82.77751 
1 1 1 17  1  28 o 313.7550 36.00633 24.84262       5.217968  28.39860       6.418207  17.91023       8.961407  331.7714 42.07020 241.6976 72.81477 90.07376       84.09455 
1 1 1 17  1  29 o 171.3394 51.34025 8.108063       4.463923  2.840963       7.343915  11.19440       5.621646  144.0507 61.44635 197.7332 57.19003 -53.68251      83.94256 
1 1 1 17  1  30 o 284.0904 33.78530 20.54473       4.426425  20.01139       6.082766  21.14507       6.453491  269.0070 49.90689 275.1704 51.75639 -6.163422      71.89869 
1 1 1 17  1  31 o 151.3360 49.05529 6.425081       3.989915  11.40606       7.559855  4.501953       4.697427  188.1276 67.36160 135.6221 52.20694 52.50555       85.22411 
1 1 1 17  1  32 o 145.3233 51.57233 6.039508       4.421788  -0.8712842     6.116409  13.60583       6.399926  112.7120 51.53711 204.2624 61.53399 -91.55038      80.26522 
1 1 1 17  1  33 o 160.3840 52.11469 8.023054       4.501694  5.071344       6.367816  10.97206       6.364897  138.9450 58.13536 177.7551 61.97338 -38.81009      84.97305 
1 1 1 17  3  0  o 730.8935 14.27582 125.8606       4.908225  130.4697       9.036567  123.9319       5.845667  742.7097 25.86515 724.9982 17.14067 17.71143       31.02916 
1 1 1 17  3  1  o 867.9072 14.78655 177.4817       6.036839  186.7123       11.09500  173.5997       7.195128  888.4478 26.54766 858.0195 17.82674 30.42828       31.97766 
1 1 1 17  3  2  o 625.1321 14.78306 92.06651       4.347159  101.4863       8.175626  88.35349       5.132910  655.1320 26.52912 612.1670 17.82479 42.96503       31.96119 
1 1 1 17  3  3  o 418.8320 16.62534 41.33792       3.275516  41.14150       5.999911  41.42131       3.909511  415.7393 30.90082 419.0852 19.83129 -3.345886      36.71703 
1 1 1 17  3  4  o 513.0706 16.22870 62.01601       3.916789  71.67064       7.581242  58.50070       4.574611  549.7646 29.42198 498.1351 19.52260 51.62946       35.30984 
1 1 1 17  3  5  o 1111.533 14.41792 290.9292       7.538667  291.0067       10.73394  290.8537       10.59009  1111.020 20.53846 1110.762 20.26792 0.2581787      28.85510 
1 1 1 17  3  6  o 1146.765 14.71330 309.6458       7.936954  310.4344       11.27330  308.8708       11.17643  1147.586 20.88317 1144.708 20.75579 2.878540       29.44333 
1 1 1 17  3  7  o 784.5165 13.87151 144.8897       5.119116  144.6512       7.201303  145.1333       7.278358  783.5212 19.53849 784.8127 19.71506 -1.291565      27.75673 
1 1 1 17  3  8  o 1157.437 15.23379 315.4183       8.294198  302.9628       11.35647  329.6577       12.14248  1133.790 21.29323 1182.625 21.82685 -48.83521      30.49283 
1 1 1 17  3  9  o 870.0076 16.48176 178.2412       6.745217  178.6266       11.35464  178.0311       8.385104  869.9883 27.74537 869.2079 20.50763 0.7804565      34.50172 
1 1 1 17  3  10 o 2220.301 26.23739 1163.087       27.40323  1126.005       32.41623  1255.945       51.29723  2183.106 31.56592 2299.158 47.43029 -116.0522      56.97403 
1 1 1 17  3  11 o 324.0390 33.39671 25.08691       5.017666  18.63556       7.406775  30.55886       6.821416  274.1018 59.17771 356.6563 41.43078 -82.55447      72.23926 
1 1 1 17  3  12 o 981.8589 15.49761 227.0225       7.157857  225.4696       10.15505  228.5558       10.09073  977.8800 22.07635 984.5814 21.78721 -6.701416      31.01690 
1 1 1 17  3  13 o 1072.058 18.47331 270.8270       9.316059  274.3009       11.48665  264.1498       15.92490  1078.403 22.64347 1056.770 32.03518 21.63318       39.22983 
1 1 1 17  3  14 o 2074.886 21.91664 1015.514       21.39132  1036.564       30.89639  996.1329       29.64611  2093.104 31.37962 2052.133 30.71092 40.97070       43.90719 
1 1 1 17  3  15 o 884.2507 16.08146 184.2232       6.689140  179.6116       9.460397  188.8338       9.459350  872.3147 23.05509 894.5073 22.48061 -22.19263      32.20116 
1 1 1 17  3  16 o 1308.826 20.37156 404.1789       12.54225  412.3068       22.69176  400.6035       15.05012  1317.297 36.61974 1302.091 24.57137 15.20593       44.09941 
1 1 1 17  3  17 o 529.8813 18.95337 66.24816       4.724266  82.65965       7.123145  53.36018       6.312337  591.1132 25.61721 473.7805 28.45517 117.3326       38.28757 
1 1 1 17  3  18 o 871.4429 17.36862 179.1839       7.119894  183.4874       10.31012  175.2607       9.844140  880.3720 24.89591 860.5383 24.31858 19.83368       34.80230 
1 1 1 17  3  19 o 438.3242 21.71492 45.46246       4.477369  40.24813       6.256896  50.93474       6.409785  409.6023 32.74717 461.8351 29.66130 -52.23285      44.18336 
1 1 1 17  3  20 o 233.0236 42.76859 13.51365       4.515307  12.28196       5.283021  16.85196       8.697490  219.7764 51.92614 253.8561 70.38372 -34.07974      87.46538 
1 1 1 17  3  21 o 256.3115 37.99456 16.18078       4.442260  14.03019       5.456641  20.40726       7.649540  234.5000 50.92552 280.7148 59.76291 -46.21481      78.51760 
1 1 1 17  3  22 o 166.1645 46.15788 7.012465       3.736877  2.938549       5.160616  11.50335       5.418278  136.6285 54.09112 210.4480 54.35226 -73.81947      76.68127 
1 1 1 17  3  23 f 208.1314 46.85957 11.15702       4.477287  10.48454       8.383443  11.42537       5.295778  202.9821 71.10466 208.7641 53.63927 -5.781937      89.06763 
1 1 1 17  3  24 o 398.1564 24.42121 38.10794       4.551846  44.52547       6.752293  32.76236       6.162610  426.3554 33.94874 364.2190 36.45905 62.13641       49.81746 
1 1 1 17  3  25 o 284.5852 31.72723 19.94534       4.175011  17.71215       6.003926  22.03631       5.809583  259.1260 51.07142 293.9353 43.31534 -34.80927      66.96648 
1 1 1 17  3  26 o 395.8242 25.08064 37.91179       4.645794  37.40914       6.547556  38.42143       6.592971  387.3188 36.36266 392.7243 36.09203 -5.405457      51.23356 
1 1 1 17  3  27 o 343.5721 27.68828 28.85363       4.436915  30.35981       6.059090  27.11216       6.515200  347.0472 37.72250 324.0531 43.86843 22.99414       57.85694 
1 1 1 17  3  28 o 132.2886 47.69120 4.149383       3.795589  5.749808       5.249279  2.395827       5.494672  152.5553 55.91772 130.6592 54.27835 21.89604       77.92902 
1 1 1 17  3  29 o 99.52016 45.62967 -2.195078      4.839837  -9.016053      6.475803  6.435791       7.284465  94.55665 45.96005 162.9019 64.33710 -68.34524      79.06699 
1 1 1 17  3  30 o 244.2137 35.22977 15.34997       3.930094  15.72794       5.659668  14.99799       5.461607  235.7293 52.39794 230.5963 51.63476 5.132965       73.56421 
1 1 1 17  3  31 o 109.5105 44.75584 1.994963       3.655940  1.446790       6.158552  2.293264       4.543044  125.3543 54.85911 118.6786 49.33251 6.675735       73.77818 
1 1 1 17  3  32 o 135.9239 46.83891 5.137737       3.630649  7.214626       6.273011  4.091587       4.452115  155.6697 60.21652 128.9510 50.49287 26.71867       78.58472 
1 1 1 17  3  33 o 92.46256 44.74973 -6.010702      5.972781  -6.010702      5.972781  0.000000       0.000000  92.46256 44.74973 ?        ?        0.000000       44.74973 
1 1 1 17  5  0  o 351.4334 15.66366 29.09491       2.589438  27.50595       5.332134  29.58530       2.962184  339.0604 33.88519 353.8506 17.85362 -14.79019      38.30088 
1 1 1 17  5  1  o 256.9906 19.86014 15.66440       2.382239  18.45422       5.061408  14.87051       2.699999  275.9243 40.17463 249.9575 23.22867 25.96677       46.40659 
1 1 1 17  5  2  o 895.6228 15.17443 188.9212       6.393033  186.7123       11.46227  189.9186       7.702338  889.0047 27.40926 897.7125 18.23963 -8.707764      32.92342 
1 1 1 17  5  3  o 506.8995 20.05296 60.56916       4.781560  65.54697       7.338392  56.89656       6.303314  525.7803 29.79314 490.0551 27.45403 35.72522       40.51364 
1 1 1 17  5  4  o 1217.735 17.34365 349.3188       9.934877  339.7741       17.33416  353.9878       12.12371  1198.986 30.73404 1225.397 21.03243 -26.41125      37.24170 
1 1 1 17  5  5  o 494.7305 16.95924 57.64745       3.946794  60.96909       7.475507  56.36372       4.647294  506.9584 31.50308 489.0489 20.20126 17.90952       37.42373 
1 1 1 17  5  6  o 1695.692 18.18167 677.3179       14.50275  692.4117       20.97653  663.4959       20.07324  1713.120 26.03015 1677.083 25.44447 36.03650       36.40041 
1 1 1 17  5  7  o 127.0256 38.53045 3.838468       2.502990  0.7222400      3.473070  7.206102       3.610451  104.8571 43.32263 171.1330 44.45069 -66.27586      62.07024 
1 1 1 17  5  8  f 456.3425 17.87226 49.04885       3.836540  43.48989       6.009698  52.87279       4.984385  428.1206 30.03134 473.6095 22.37288 -45.48892      37.44899 
1 1 1 17  5  9  o 611.2628 15.13327 87.97063       4.351409  88.16079       6.154081  87.78052       6.153563  611.6125 21.39034 610.2894 21.43490 1.323059       30.28203 
1 1 1 17  5  10 o 910.9457 14.81894 195.3748       6.350075  192.2018       8.902099  198.6619       9.060728  903.0568 20.95598 918.1057 20.97979 -15.04889      29.65307 
1 1 1 17  5  11 f 815.6528 14.81924 156.6468       5.685920  152.3407       7.966289  161.1185       8.118069  803.9189 21.06563 826.7717 20.87362 -22.85278      29.65584 
1 1 1 17  5  12 o 1185.608 18.84585 331.2371       10.51057  333.3759       12.74701  326.6944       18.57694  1188.913 22.79234 1175.045 33.60859 13.86804       40.60822 
1 1 1 17  5  13 o 344.9964 22.62696 28.19632       3.651723  29.12514       5.184821  27.28205       5.144053  349.4462 31.89307 337.9792 32.76694 11.46695       45.72571 
1 1 1 17  5  14 o 995.4863 16.02518 233.4618       7.504253  222.0327       10.36456  246.0545       10.87938  970.0187 22.71441 1021.155 22.64870 -51.13586      32.07660 
1 1 1 17  5  15 o 1137.772 16.61422 305.0699       8.892101  307.8315       12.64571  302.3690       12.50611  1141.785 23.54451 1131.619 23.49377 10.16638       33.26111 
1 1 1 17  5  16 o 409.6393 21.48136 39.72280       4.124927  36.54431       5.900857  42.76025       5.768451  391.2173 32.35513 423.9534 29.10109 -32.73615      43.51698 
1 1 1 17  5  17 o 420.6971 24.08158 41.99120       4.745877  50.50536       7.879240  37.14359       5.945354  459.0312 36.79930 394.1539 32.35115 64.87726       48.99781 
1 1 1 17  5  18 o 645.0603 17.81145 98.22236       5.404666  94.46410       7.580723  102.1074       7.707560  631.3998 25.52330 656.5535 24.95614 -25.15369      35.69661 
1 1 1 17  5  19 o 606.1332 18.30002 86.81153       5.217819  86.26015       7.288374  87.39126       7.473322  602.8588 25.70075 606.6940 26.18634 -3.835205      36.69131 
1 1 1 17  5  20 o 209.9624 45.17286 11.10101       4.329232  13.47319       5.299235  6.340666       7.506868  230.4205 50.30163 176.8649 66.48394 53.55568       83.36887 
1 1 1 17  5  21 o 691.9006 18.32440 113.3437       5.964069  121.0177       8.580675  106.1713       8.295488  712.7110 25.59403 667.2814 26.42796 45.42963       36.78983 
1 1 1 17  5  22 o 626.3557 19.33424 93.08013       5.696623  85.06671       7.716701  102.6774       8.444947  596.1465 27.51752 654.9988 27.40862 -58.85223      38.83873 
1 1 1 17  5  23 o 276.5948 32.14221 18.73026       4.104072  13.01562       5.649136  25.11766       5.972414  222.2381 54.46233 317.2947 40.97165 -95.05656      68.15292 
1 1 1 17  5  24 o 291.6756 44.79446 21.68243       5.949512  0.000000       0.000000  21.68243       5.949512  ?        ?        291.6756 44.79446 0.000000       44.79446 
1 1 1 17  5  25 o 323.5994 27.95372 25.50104       4.213392  26.68742       6.002216  24.34850       5.915992  325.4688 40.04920 309.8840 41.63797 15.58484       57.77248 
1 1 1 17  5  26 o 279.2102 31.74857 19.29044       4.095745  22.47521       5.711965  15.92009       5.876035  296.4125 42.15325 243.1084 52.88716 53.30417       67.63097 
1 1 1 17  5  27 f 341.5356 28.64689 28.60168       4.559870  27.06097       6.018100  30.67848       6.987113  325.9495 40.09543 344.6418 44.11045 -18.69235      59.61020 
1 1 1 17  5  28 o 108.7088 45.16474 1.340500       3.805014  8.329428       5.162180  -6.973949      5.630469  174.0544 55.73360 91.83917 44.19901 82.21519       71.13218 
1 1 1 17  5  29 o 108.8328 44.97876 1.541531       3.745308  5.650360       5.326017  -2.477956      5.267794  150.3222 56.09912 102.7618 47.29576 47.56041       73.37575 
1 1 1 17  5  30 o 89.07153 42.20796 -4.262524      4.728845  0.000000       0.000000  -4.262524      4.728845  ?        ?        89.07153 42.20796 0.000000       42.20796 
1 1 1 17  5  31 o 76.66489 36.39122 -3.444681      3.544647  -0.3846611     5.756980  -5.313041      4.498451  113.5455 51.14974 81.95336 39.45723 31.59209       64.60007 
1 1 1 17  5  32 o 184.2196 49.34120 10.06048       4.361499  9.411415       5.971595  10.80262       6.385355  171.0096 60.00518 180.5518 62.12229 -9.542252      86.37013 
1 1 1 17  5  33 o 131.6852 55.86287 4.123068       6.010773  4.123068       6.010773  0.000000       0.000000  131.6852 55.86287 ?        ?        0.000000       55.86287 
1 1 1 17  7  0  o 639.3578 12.42323 96.21990       3.736352  95.00595       8.168077  96.54114       4.201719  634.3622 27.37242 640.3593 13.94871 -5.997131      30.72159 
1 1 1 17  7  1  o 1227.693 14.75317 354.8815       8.520095  365.9334       17.78418  351.5892       9.706527  1244.511 30.37847 1221.783 16.88887 22.72852       34.75752 
1 1 1 17  7  2  o 592.4202 13.65305 82.62003       3.804774  68.37099       7.538861  87.48978       4.407235  537.1827 29.95342 609.5568 15.37031 -72.37408      33.66681 
1 1 1 17  7  3  o 561.0607 13.00898 74.09692       3.433383  76.04973       4.933188  72.26239       4.781441  568.1799 18.45748 553.8563 18.35238 14.32361       26.02861 
1 1 1 17  7  4  o 729.8895 15.33608 125.4328       5.265514  141.9738       10.44927  119.8030       6.096074  775.5104 28.64370 713.1700 18.17138 62.34039       33.92138 
1 1 1 17  7  5  o 663.5120 15.84980 103.6607       4.947001  107.5505       9.480385  102.2053       5.799130  674.9017 29.86181 658.6948 18.71584 16.20697       35.24217 
1 1 1 17  7  6  o 1378.986 18.76510 447.9413       12.17251  453.3294       22.09440  445.5931       14.58571  1384.867 33.91602 1374.902 22.55208 9.964844       40.72951 
1 1 1 17  7  7  o 653.4556 15.56792 100.5376       4.785375  101.8133       7.817139  99.77293       6.051841  657.0226 25.29288 650.7565 19.76968 6.266052       32.10250 
1 1 1 17  7  8  o 543.6319 14.92774 69.57942       3.817405  73.49638       5.417867  65.71762       5.379589  558.4722 20.62327 528.0404 21.65771 30.43176       29.90612 
1 1 1 17  7  9  f 813.2740 14.33830 155.7146       5.485343  148.2210       7.558360  164.0532       7.973140  793.0853 20.25995 834.3633 20.31444 -41.27795      28.69045 
1 1 1 17  7  10 o 678.4714 14.65689 108.3830       4.677810  110.1454       6.665861  106.6730       6.566111  683.6044 20.72918 672.7413 20.74870 10.86316       29.32929 
1 1 1 17  7  11 o 426.3543 18.26181 42.82915       3.662553  45.03581       5.194536  40.64764       5.164855  436.1075 25.43151 414.0976 26.65630 22.00995       36.84182 
1 1 1 17  7  12 o 1408.876 19.84367 467.8987       13.15117  469.8300       16.32505  464.3282       22.19665  1410.940 24.59669 1400.563 33.69114 10.37744       41.71439 
1 1 1 17  7  13 o 839.1761 18.30161 165.9751       7.224564  175.0855       8.974195  149.1974       12.17848  861.4872 22.14509 793.8516 32.61252 67.63556       39.42057 
1 1 1 17  7  14 o 1048.655 16.22642 259.1122       8.004322  272.1049       11.77778  247.9605       10.91144  1073.594 23.32137 1024.968 22.63094 48.62634       32.49686 
1 1 1 17  7  15 o 371.4632 21.63424 32.68115       3.763937  36.37291       5.516068  29.46450       5.148901  390.7233 30.24739 351.2160 31.50008 39.50732       43.67104 
1 1 1 17  7  16 o 269.7077 31.57377 17.49087       3.929991  25.22295       6.522656  13.08423       4.924131  321.8142 44.25874 229.5620 47.17675 92.25217       64.68757 
1 1 1 17  7  17 o 360.1110 28.98473 30.96641       4.868348  44.64923       10.71414  27.40633       5.465109  425.8167 54.75791 337.4385 34.93588 88.37817       64.95340 
1 1 1 17  7  18 o 382.6081 23.59757 34.80459       4.226355  40.40845       6.026753  29.38215       5.928398  410.7519 31.42990 348.6338 36.70039 62.11810       48.31932 
1 1 1 17  7  19 o 343.9643 26.24498 28.27764       4.214428  34.97739       5.857750  21.08828       6.068012  381.1223 32.99926 291.6503 45.73368 89.47192       56.39610 
1 1 1 17  7  20 o 780.5493 17.47099 144.0900       6.414859  145.6209       9.025522  142.5270       9.119164  782.6033 24.51666 774.0636 25.04431 8.539673       35.04689 
1 1 1 17  7  21 o 207.1880 46.54124 10.94427       4.425208  15.44584       5.431461  2.056481       7.631880  246.3469 48.59685 151.7106 63.57283 94.63628       80.01974 
1 1 1 17  7  22 o 263.5684 32.47674 17.00117       3.941392  14.17903       5.452055  20.09065       5.704448  234.0338 50.96754 282.4693 44.39574 -48.43555      67.59195 
1 1 1 17  7  23 o 552.9537 21.91696 72.92545       5.700833  73.42450       9.441467  72.63910       7.151700  546.8306 36.92057 548.9081 27.78801 -2.077515      46.20933 
1 1 1 17  7  24 o 290.7086 30.12884 20.67896       4.060298  19.10592       5.689435  22.31166       5.796315  272.5258 46.01938 296.5590 42.78794 -24.03317      62.83782 
1 1 1 17  7  25 o 93.56925 41.58887 -0.8933429     3.670610  6.748106       5.340722  -7.734311      5.053251  163.5674 56.78333 84.04320 40.79199 79.52423       69.91662 
1 1 1 17  7  26 o 303.4989 35.59108 23.03955       4.984744  21.73180       6.053600  25.79370       8.785067  289.0654 46.06545 303.2583 63.61377 -14.19293      78.54131 
1 1 1 17  7  27 o 693.1210 20.44557 115.1161       6.666188  100.3803       8.715042  135.8951       10.34894  641.3799 28.88583 745.6830 29.50343 -104.3031      41.28975 
1 1 1 17  7  28 o 145.3865 51.94963 5.285880       4.494068  2.318965       5.316645  12.71106       8.410825  128.4066 53.37128 205.7668 71.26894 -77.36015      89.03794 
1 1 1 17  7  29 o 264.6830 39.89508 18.26834       4.812979  27.69620       8.276754  13.45151       5.916077  310.9440 58.73866 215.4962 57.35135 95.44785       82.09389 
1 1 1 17  7  30 o 169.4429 46.73956 8.008690       3.846463  11.44174       6.502070  6.160441       4.770808  192.8976 62.62992 150.4918 53.55165 42.40579       82.40319 
1 1 1 17  7  31 o 114.8261 48.85166 1.716833       4.619772  0.000000       0.000000  1.716833       4.619772  ?        ?        114.8261 48.85166 0.000000       48.85166 
1 1 1 17  7  32 o 373.6997 31.53599 36.06199       5.491897  36.53389       7.736511  35.58264       7.797275  357.7071 47.12497 351.2737 48.47952 6.433411       67.60937 
1 1 1 17  7  33 o 150.8964 49.76629 7.066392       4.099477  6.614151       5.470479  7.645660       6.191273  145.1649 56.21061 152.0141 59.53827 -6.849197      81.88063 
1 1 1 17  9  0  o 1407.415 15.57928 466.3945       10.31428  452.1404       20.90345  470.9818       11.85838  1383.313 32.12390 1414.083 17.82712 -30.77039      36.73896 
1 1 1 17  9  1  o 262.7566 19.56195 16.35547       2.400561  22.84780       5.801775  15.01439       2.636865  307.8755 41.08580 251.3751 22.53897 56.50043       46.86201 
1 1 1 17  9  2  o 859.1252 13.48980 173.7383       5.451690  168.1332       11.30025  175.4386       6.223895  844.0026 28.46262 863.2197 15.32751 -19.21710      32.32729 
1 1 1 17  9  3  o 1497.539 17.01761 528.1260       11.98798  501.7836       24.13244  536.7562       13.81280  1456.736 35.21690 1509.437 19.45350 -52.70105      40.23269 
1 1 1 17  9  4  o 696.3956 15.05315 114.1760       4.931201  118.9818       6.338451  106.8074       7.848650  710.6974 18.95960 672.9872 24.79241 37.71014       31.21105 
1 1 1 17  9  5  o 376.8159 16.09268 33.43390       2.852508  33.95225       3.946712  32.86698       4.127468  378.8826 22.24179 372.6171 23.67068 6.265503       32.48074 
1 1 1 17  9  6  o 1130.100 20.70425 300.9551       11.00641  0.000000       0.000000  300.9551       11.00641  ?        ?        1130.100 20.70425 0.000000       20.70425 
1 1 1 17  9  7  o 890.1249 16.71908 186.5947       7.000559  182.5208       13.02948  188.2480       8.300402  878.9147 31.51454 893.8333 19.74119 -14.91852      37.18711 
1 1 1 17  9  8  o 266.0531 22.01523 16.80079       2.730494  16.82924       3.814475  16.77088       3.910312  265.0753 31.18763 264.4663 32.08916 0.6090698      44.74799 
1 1 1 17  9  9  o 638.3185 14.54757 95.93483       4.368147  92.93665       6.043887  99.21359       6.320369  627.9383 20.46115 648.7807 20.70977 -20.84241      29.11277 
1 1 1 17  9  10 o 694.1426 14.76206 113.4597       4.820198  117.8596       6.916567  109.3049       6.721209  707.0692 20.79502 680.9108 20.98398 26.15833       29.54252 
1 1 1 17  9  11 o 717.0934 17.15584 121.1498       5.787048  124.5396       7.302828  115.4281       9.487728  726.7199 21.36263 698.8795 28.85962 27.84039       35.90598 
1 1 1 17  9  12 o 246.0271 28.47219 14.49684       3.234246  15.92285       4.626165  13.13348       4.523396  256.0131 39.69952 231.3491 43.15233 24.66394       58.63596 
1 1 1 17  9  13 f 1512.241 18.15055 539.0928       12.91160  567.7053       19.13680  515.1840       17.49322  1549.945 26.24725 1476.785 25.18159 73.15967       36.37349 
1 1 1 17  9  14 o 913.9492 18.72282 196.9958       8.049385  191.9443       9.492112  209.9287       15.18799  901.6335 22.38018 940.4802 34.33059 -38.84668      40.98124 
1 1 1 17  9  15 o 687.0836 18.02271 111.3546       5.825041  121.5815       9.882397  105.9097       7.210860  716.2468 29.33123 669.4845 22.89693 46.76233       37.21008 
1 1 1 17  9  16 o 767.9561 16.46452 139.1030       5.947778  145.3981       8.517466  133.1119       8.309255  784.0739 23.09320 750.1331 23.54802 33.94080       32.98189 
1 1 1 17  9  17 o 782.1561 16.67779 144.3837       6.136226  147.5813       8.643145  141.1342       8.713146  789.4882 23.27324 771.8890 23.99666 17.59912       33.42878 
1 1 1 17  9  18 o 586.2743 22.04699 81.41805       6.080222  74.82165       11.72747  83.84299       7.110521  554.0366 45.39699 594.2461 25.43699 -40.20953      52.03775 
1 1 1 17  9  19 o 279.3912 28.67309 18.80590       3.714978  22.61195       5.388175  15.35727       5.128949  303.9651 38.54972 247.5577 45.72808 56.40732       59.80919 
1 1 1 17  9  20 o 115.4647 44.17692 2.339319       3.350401  3.502185       4.836969  1.266827       4.645213  138.5082 53.05960 120.7028 50.00490 17.80539       72.90961 
1 1 1 17  9  21 o 306.2917 27.27044 22.61834       3.888031  15.92438       5.479764  29.40467       5.517442  249.7411 48.39230 347.2931 34.21775 -97.55194      59.26777 
1 1 1 17  9  22 o 535.6506 27.45000 69.04207       6.893374  68.87634       9.121200  69.26279       10.52654  530.2928 36.79272 528.1738 42.73436 2.119019       56.39087 
1 1 1 17  9  23 o 361.4013 25.07640 31.46544       4.236711  35.34270       6.095908  27.84262       5.892495  379.2248 34.55128 334.6761 38.10828 44.54874       51.43959 
1 1 1 17  9  24 o 317.7733 28.23220 24.58836       4.176230  20.57890       5.826618  28.82425       5.988888  283.0257 45.29166 339.7261 38.13408 -56.70044      59.20762 
1 1 1 17  9  25 o 302.3585 45.76297 23.60437       6.305332  12.12842       9.535559  32.52081       8.405195  208.8835 75.54709 351.1921 52.48878 -142.3086      91.99149 
1 1 1 17  9  26 o 134.9882 47.44218 4.364794       3.733578  7.121700       5.026887  0.9728924      5.575833  164.9329 55.13810 124.3428 53.30285 40.59010       76.69031 
1 1 1 17  9  27 o 131.7734 47.79257 4.053378       3.820082  8.204098       5.168280  -0.9450643     5.671549  173.5882 55.78571 114.7970 51.31318 58.79121       75.79636 
1 1 1 17  9  28 o 339.2763 31.53121 28.69337       4.974695  21.26040       8.339554  32.79929       6.198227  266.5257 66.68209 359.0481 37.23987 -92.52234      76.37611 
1 1 1 17  9  29 o 113.9450 51.98265 -1.699465      6.178301  -1.699465      6.178301  0.000000       0.000000  113.9450 51.98265 ?        ?        0.000000       51.98265 
1 1 1 17  9  30 o 174.5726 45.79841 8.516656       3.807849  17.62485       6.559686  3.887588       4.676421  242.5598 58.22815 131.2009 51.63403 111.3589       77.82410 
1 1 1 17  9  32 o 141.2278 50.48462 5.842827       4.244590  9.093342       6.118420  2.826992       5.893414  165.6455 60.42216 125.9025 54.39297 39.74300       81.29842 
1 1 1 17  11 0  o 330.7345 17.84181 25.83994       2.765527  22.38407       5.793926  26.85960       3.147178  304.5510 41.52546 337.0376 19.93930 -32.48663      46.06452 
1 1 1 17  11 1  o 830.5325 12.50437 162.3537       4.885262  162.2473       11.00551  162.3797       5.451815  829.0521 28.22012 830.5265 13.95463 -1.474365      31.48185 
1 1 1 17  11 2  o 428.5463 14.74664 43.23796       2.972762  43.75743       6.700549  43.11066       3.317091  428.9489 33.47243 427.8622 16.48103 1.086670       37.30989 
1 1 1 17  11 3  o 1418.590 18.70948 474.0786       12.48498  507.1344       23.78488  461.5067       14.66826  1464.390 34.52828 1399.184 22.28612 65.20593       41.09591 
1 1 1 17  11 4  f 1210.191 15.31220 344.8422       8.716874  377.2295       19.31106  336.5544       9.768718  1263.336 32.49509 1195.372 17.37261 67.96387       36.84750 
1 1 1 17  11 5  o 1003.392 15.49285 237.0692       7.312586  236.3555       11.88162  237.5043       9.277895  1000.938 25.23474 1003.964 19.64544 -3.026001      31.98024 
1 1 1 17  11 6  o 933.5038 13.78200 205.1513       6.051983  210.5029       8.648047  200.0151       8.472252  945.1667 19.45093 921.3119 19.54893 23.85480       27.57715 
1 1 1 17  11 7  o 570.1543 17.42001 76.57589       4.672079  96.40310       9.958253  70.97978       5.290484  637.5653 33.31960 548.7639 20.49466 88.80145       39.11811 
1 1 1 17  11 8  o 703.8360 17.36899 116.7019       5.750629  118.4305       11.04483  116.0591       6.735629  707.5299 33.18525 701.6812 20.40652 5.848694       38.95750 
1 1 1 17  11 9  o 1476.380 17.15205 513.5143       11.91197  521.2360       17.05061  506.1522       16.64871  1486.186 24.38919 1464.568 24.16582 21.61768       34.33394 
1 1 1 17  11 10 o 531.7998 17.76103 66.64358       4.443096  75.69350       5.824021  54.04281       6.872254  566.4832 21.85579 477.0123 30.79112 89.47092       37.75935 
1 1 1 17  11 11 o 474.7723 21.09241 53.17010       4.710651  60.43401       6.594262  45.60048       6.731595  504.8631 27.87462 437.5576 32.94673 67.30548       43.15648 
1 1 1 17  11 12 o 184.1218 48.81916 8.396412       4.297059  0.000000       0.000000  8.396412       4.297059  ?        ?        184.1218 48.81916 0.000000       48.81916 
1 1 1 17  11 13 o 185.6222 37.64222 8.485513       3.174356  13.15525       4.405090  3.441196       4.578358  231.4197 42.01289 138.1386 51.92202 93.28114       66.79056 
1 1 1 17  11 14 o 504.9565 18.00392 60.15068       4.276519  59.57003       5.931617  60.77920       6.171324  501.1709 25.24138 506.1157 26.00934 -4.944824      36.24380 
1 1 1 17  11 15 o 590.0947 20.10036 82.25535       5.579496  84.04224       6.649095  78.00239       10.25791  595.9647 23.71770 570.1311 38.47359 25.83362       45.19676 
1 1 1 17  11 16 o 189.7284 38.12651 8.915455       3.284674  10.31158       4.642811  7.516411       4.647655  202.4155 49.23318 174.6154 52.40070 27.80003       71.90089 
1 1 1 17  11 17 o 530.0412 18.31206 66.40281       4.565791  74.66534       6.705314  59.26012       6.234381  560.7825 25.41882 498.6688 26.67404 62.11368       36.84591 
1 1 1 17  11 18 o 367.4385 24.90252 32.23136       4.278833  33.14482       5.431533  30.73722       6.946592  371.0392 31.41455 353.7930 42.59611 17.24625       52.92733 
1 1 1 17  11 19 o 135.2080 49.66270 3.746566       4.143661  3.793104       8.379127  3.731500       4.767402  166.5116 67.87012 139.8438 52.88968 26.66782       86.04459 
1 1 1 17  11 20 o 246.7735 32.67679 14.90545       3.699918  10.30798       5.151543  19.80363       5.317344  199.4004 53.71592 282.1324 41.28756 -82.73196      67.75000 
1 1 1 17  11 21 o 297.2352 27.94977 21.37948       3.862042  27.90842       5.686617  15.78998       5.261614  336.8880 36.46585 248.6386 46.70126 88.24939       59.25172 
1 1 1 17  11 22 o 401.5716 22.84527 38.63729       4.297637  34.36740       5.955295  43.27745       6.208141  374.3882 34.19257 421.6747 31.52594 -47.28650      46.50824 
1 1 1 17  11 23 o 531.1893 24.08503 67.64426       6.018188  68.38985       7.211296  65.93342       10.92365  531.1499 28.97146 510.1800 46.01229 20.96991       54.37350 
1 1 1 17  11 24 o 193.6455 44.17750 9.769517       3.935208  9.961605       5.570781  9.578193       5.559683  192.1071 57.30574 188.6875 57.46737 3.419693       81.15692 
1 1 1 17  11 25 f 150.7195 47.39514 5.852809       3.746651  2.490435       5.077023  9.873586       5.551893  129.6485 52.83593 190.4070 57.30161 -60.75847      77.94299 
1 1 1 17  11 26 o 137.8436 57.43737 2.593446       6.179625  6.426873       9.005665  -0.8177765     8.495269  173.5130 70.50175 139.1541 62.45760 34.35893       94.18837 
1 1 1 17  11 27 o 352.9296 26.00608 30.41152       4.287083  32.34988       6.116903  28.54018       6.010207  357.6402 36.88898 334.4252 38.93382 23.21500       53.63431 
1 1 1 17  11 28 o 136.4897 48.41368 4.662226       3.896274  2.434899       6.420033  5.960931       4.902309  135.7752 57.67237 151.4264 54.24196 -15.65121      79.17255 
1 1 1 17  11 29 o 289.7543 32.55624 21.30250       4.360638  22.69322       7.438894  20.57444       5.382371  278.1728 58.69453 277.8979 42.52641 0.2749023      72.48132 
1 1 1 17  11 30 f 195.1883 47.88771 10.84945       4.363801  4.925684       6.315874  16.26041       6.036309  144.3849 58.89620 233.4203 55.74263 -89.03540      81.09256 
1 1 1 17  11 31 o 175.6497 47.91417 9.052583       4.068670  13.68609       5.672748  4.143877       5.838780  209.2526 56.36689 134.8033 55.97206 74.44930       79.43613 
1 1 1 17  13 0  o 664.6852 16.72637 104.0631       5.229823  107.4053       6.901025  99.55411       8.015680  674.9401 21.73597 649.4429 26.23796 25.49719       34.07174 
1 1 1 17  13 1  f 558.7380 12.13223 73.48235       3.188733  71.31392       7.874981  73.90762       3.487422  548.4771 30.64517 560.3124 13.23137 -11.83533      33.37957 
1 1 1 17  13 2  o 989.4200 13.21661 230.4569       6.151344  246.3734       14.25162  226.8128       6.819268  1021.172 29.66853 981.4568 14.77057 39.71509       33.14199 
1 1 1 17  13 3  o 827.9350 15.46231 161.4243       6.021987  162.1284       11.35962  161.1491       7.102058  828.4317 29.14996 827.0275 18.25555 1.404236       34.39455 
1 1 1 17  13 4  o 932.2361 15.89886 204.6769       6.972064  0.000000       0.000000  204.6769       6.972064  ?        ?        932.2361 15.89886 0.000000       15.89886 
1 1 1 17  13 5  o 510.6342 15.78176 61.41049       3.790833  55.91558       8.092963  62.95500       4.290647  484.6191 35.75324 516.9289 17.64504 -32.30975      39.87031 
1 1 1 17  13 6  o 276.7339 20.27905 18.14973       2.621468  17.46867       3.604383  18.91456       3.819602  270.3950 28.77996 281.4092 29.28319 -11.01422      41.05839 
1 1 1 17  13 7  o 1380.886 16.14948 449.1751       10.49025  442.8442       14.56115  456.0066       15.12587  1370.124 22.59261 1390.238 23.12927 -20.11328      32.33248 
1 1 1 17  13 8  o 1175.451 18.19416 325.6373       10.06018  339.1796       18.99573  320.3583       11.85997  1196.671 33.74519 1165.392 21.63426 31.27893       40.08465 
1 1 1 17  13 9  o 225.6665 40.37267 12.46181       4.128382  15.06243       7.141172  11.15636       5.059546  245.3008 61.88974 211.8102 51.31984 33.49065       80.39941 
1 1 1 17  13 10 o 995.2040 14.84423 233.3173       6.949271  221.6138       9.335799  247.8597       10.40669  969.2350 20.47638 1024.853 21.58649 -55.61755      29.75329 
1 1 1 17  13 11 o 185.2468 32.95740 8.378806       2.766671  4.954003       3.664791  12.91724       4.218759  145.7466 46.99028 229.5944 40.54448 -83.84779      62.06401 
1 1 1 17  13 12 o 1013.223 15.47650 241.9734       7.376446  240.6597       10.17908  243.4261       10.70448  1009.490 21.43567 1015.084 22.41788 -5.593323      31.01692 
1 1 1 17  13 13 o 582.8223 16.48225 80.11279       4.518787  77.16355       6.055655  83.81840       6.787911  571.3148 22.53286 595.2020 24.24390 -23.88721      33.09828 
1 1 1 17  13 14 o 466.2090 18.44824 51.32196       4.045805  47.45111       5.478601  55.96491       6.000167  446.6482 26.19015 485.1481 26.39104 -38.49991      37.18079 
1 1 1 17  13 15 o 568.6038 20.64118 76.47214       5.520947  78.20589       6.527924  72.11653       10.34679  574.4174 24.15896 546.4067 40.54416 28.01068       47.19623 
1 1 1 17  13 16 o 332.3495 23.45057 26.32306       3.642689  27.30964       5.065869  25.26680       5.241710  336.6030 32.39388 322.9695 35.06517 13.63342       47.73813 
1 1 1 17  13 17 o 291.9888 28.83915 20.53058       3.909359  18.72206       4.887567  23.74257       6.513540  276.1030 38.69427 309.0290 46.22740 -32.92593      60.28448 
1 1 1 17  13 18 o 615.7291 19.62311 89.85138       5.683645  93.75744       8.905806  87.16723       7.382562  625.7106 30.25731 604.7474 25.95158 20.96320       39.86213 
1 1 1 17  13 19 o 650.1264 19.81044 100.2963       6.058446  98.72370       7.682179  102.8835       9.853377  643.1877 25.39086 653.8138 32.03772 -10.62616      40.87923 
1 1 1 17  13 20 o 591.5500 23.15626 83.44370       6.443607  84.93719       7.733771  80.05351       11.65199  595.1025 27.62678 567.9640 43.95462 27.13849       51.91578 
1 1 1 17  13 21 o 236.0641 37.02652 13.91166       3.976358  3.917955       6.116324  21.22784       5.233222  148.9297 58.91059 291.7881 39.11125 -142.8584      70.71172 
1 1 1 17  13 22 o 395.5781 22.81837 37.53430       4.228038  36.22078       5.809590  39.01340       6.164914  384.8063 32.39613 399.1085 33.13693 -14.30219      46.34183 
1 1 1 17  13 23 o 298.6235 28.83836 21.75581       4.000612  15.82642       5.343443  29.31903       6.034889  246.4839 47.81055 342.8343 38.06356 -96.35039      61.11206 
1 1 1 17  13 24 o 183.7621 43.66008 8.812938       3.718246  13.44830       5.205759  3.985248       5.312658  224.9078 50.44788 142.0441 55.28470 82.86365       74.84241 
1 1 1 17  13 25 f 269.6236 31.03238 17.97902       3.864085  16.57035       5.299209  19.57845       5.646602  251.3835 46.52669 274.4101 45.32653 -23.02658      64.95558 
1 1 1 17  13 26 f 86.20448 38.94748 -1.331874      3.366472  -3.152371      4.332015  1.443762       5.349046  90.18932 41.98643 124.2240 52.69800 -34.03464      67.37907 
1 1 1 17  13 27 o 362.8745 27.83177 32.39198       4.714595  30.64804       7.861018  33.37164       5.891829  336.2388 51.32741 363.9277 34.84228 -27.68893      62.03618 
1 1 1 17  13 28 o 204.0030 41.24341 11.08033       3.821788  12.22652       6.445019  10.45872       4.746296  201.8141 61.95073 192.4732 51.43793 9.340851       80.52175 
1 1 1 17  13 29 o 345.5505 26.40102 29.60106       4.258949  40.87396       7.355724  23.91614       5.223596  393.7075 40.28493 302.7024 37.48639 91.00510       55.02822 
1 1 1 17  13 30 o 102.9223 46.67309 -0.8552319     4.886515  -0.8552319     4.886515  0.000000       0.000000  102.9223 46.67309 ?        ?        0.000000       46.67309 
1 1 1 17  15 0  o 316.8434 24.56315 23.83933       3.632373  17.86465       4.657519  33.11534       5.803338  271.9659 37.39519 372.4876 33.47806 -100.5217      50.19144 
1 1 1 17  15 1  o 993.1884 15.87659 232.3621       7.417510  230.8561       13.88461  232.9635       8.774566  988.0532 29.87335 994.1724 18.76267 -6.119263      35.27683 
1 1 1 17  15 2  o 862.9764 12.61482 175.3305       5.120934  159.1261       11.24270  179.5726       5.752300  820.4125 29.13192 873.2556 14.00331 -52.84302      32.32277 
1 1 1 17  15 3  o 467.2592 14.57756 51.41895       3.204144  0.000000       0.000000  51.41895       3.204144  ?        ?        467.2592 14.57756 0.000000       14.57756 
1 1 1 17  15 4  f 274.1314 20.71426 17.82291       2.651429  17.37812       6.706820  17.90530       2.886577  264.4807 55.66946 274.5564 22.54943 -10.07568      60.06301 
1 1 1 17  15 5  o 1172.062 17.56037 323.7503       9.681745  327.5862       18.06141  322.2036       11.46869  1176.099 32.64663 1168.779 20.85991 7.320801       38.74195 
1 1 1 17  15 6  o 283.2825 23.21423 19.06928       3.066282  21.21879       6.824409  18.52557       3.432243  293.7030 51.26026 278.7470 26.49428 14.95599       57.70235 
1 1 1 17  15 7  o 1275.796 18.56520 383.7731       11.14167  377.2295       20.11966  386.6674       13.38066  1261.242 33.91196 1279.914 22.22426 -18.67188      40.54552 
1 1 1 17  15 8  o 366.6876 18.75045 31.79301       3.223460  31.84239       3.911339  31.68847       5.691163  366.5126 22.79945 363.9651 33.62081 2.547516       40.62233 
1 1 1 17  15 9  o 507.8615 14.80109 60.77483       3.535967  62.92190       4.800081  58.22733       5.228578  516.3856 19.76083 496.5199 22.38605 19.86569       29.86011 
1 1 1 17  15 10 o 721.5148 17.93901 122.8048       6.088540  135.1070       12.36653  118.8687       6.995082  753.7008 34.88025 709.4750 20.95977 44.22583       40.69329 
1 1 1 17  15 11 o 232.6068 25.31000 12.95764       2.724692  12.54944       3.547281  13.54502       4.255194  227.1846 34.25765 234.9585 39.92867 -7.773880      52.61069 
1 1 1 17  15 12 o 657.6003 15.16911 101.9781       4.692361  102.6496       6.385496  101.1899       6.918508  659.0309 20.59774 654.0247 22.48790 5.006226       30.49545 
1 1 1 17  15 13 o 765.7431 16.84717 138.4172       6.068471  138.2878       9.058899  138.5226       8.173468  763.6614 25.21769 764.8958 22.71615 -1.234314      33.94047 
1 1 1 17  15 14 f 482.1293 20.31357 54.99817       4.607010  54.29082       5.306220  57.16410       9.285237  478.5276 23.57268 485.5167 41.03996 -6.989105      47.32810 
1 1 1 17  15 15 o 172.7602 46.62862 7.513484       3.877431  3.912010       8.714029  8.402588       4.329672  170.7273 69.35819 182.3397 49.29754 -11.61237      85.09293 
1 1 1 17  15 16 o 101.8568 44.31623 -0.4633490     3.967641  -0.4633490     3.967641  0.000000       0.000000  101.8568 44.31623 ?        ?        0.000000       44.31623 
1 1 1 17  15 17 o 277.2951 26.33119 18.50084       3.393443  16.98014       4.619909  20.28263       5.000797  262.1552 38.62035 287.1687 37.94935 -25.01352      54.14503 
1 1 1 17  15 18 o 211.2967 33.18189 11.00673       3.189420  8.309630       4.341160  14.17000       4.701387  179.9436 49.66176 236.9192 43.79813 -56.97559      66.21606 
1 1 1 17  15 19 o 669.5781 17.22735 106.2604       5.426116  104.1933       7.476729  108.5605       7.887078  660.6405 24.05898 673.9992 24.87639 -13.35870      34.60736 
1 1 1 17  15 20 o 761.4561 19.51138 137.8565       6.988794  127.8240       10.96531  144.7200       9.069637  726.5963 32.08178 777.6132 24.79459 -51.01691      40.54642 
1 1 1 17  15 21 o 94.44146 40.11353 0.3125387      3.105623  -5.048868      4.022399  8.225585       4.886722  79.68163 38.08701 177.5236 53.83492 -97.84196      65.94557 
1 1 1 17  15 22 o 411.0378 21.20368 40.43188       4.085830  43.96266       5.568664  36.31461       6.013402  426.0157 27.94273 384.5149 33.58285 41.50082       43.68757 
1 1 1 17  15 23 o 118.6716 46.48486 2.454967       3.774422  -3.404679      4.528199  15.79370       6.831987  92.49632 43.01576 239.4512 60.60162 -146.9548      74.31629 
1 1 1 17  15 24 o 149.8660 49.60530 5.701507       4.071648  8.845032       4.749487  -3.014269      7.908449  181.4645 52.59060 127.7649 58.48713 53.69961       78.65440 
1 1 1 17  15 25 o 142.5213 47.12925 5.165125       3.675642  5.312129       5.454710  5.042856       4.974675  150.9725 56.68793 146.6346 54.31682 4.337967       78.51012 
1 1 1 17  15 26 o 299.6144 33.68044 22.53956       4.664631  23.51665       6.645078  21.59037       6.549529  295.9868 49.47254 282.1298 51.23773 13.85706       71.22385 
1 1 1 17  15 27 o 285.6665 30.89029 20.43654       4.084881  25.34186       6.774194  17.63374       5.120589  305.7947 48.72865 257.5103 43.84330 48.28445       65.54934 
1 1 1 17  15 28 o 282.6731 29.75157 20.07339       3.896676  28.79013       6.656896  15.52980       4.806119  327.3307 44.37714 239.2835 44.33102 88.04718       62.72615 
1 1 1 17  15 29 o 121.1992 46.63915 3.395568       3.747921  -1.322830      4.947894  9.747326       5.740768  101.9543 46.51512 177.8513 58.90332 -75.89693      75.05503 
1 1 1 17  17 0  o 298.8605 25.32902 21.26207       3.527370  16.62674       4.705426  27.20868       5.329584  261.4702 39.48693 336.9168 34.09750 -75.44662      52.17142 
1 1 1 17  17 1  o 229.1197 17.82396 12.45202       1.905919  16.88169       5.958692  11.94719       2.011595  261.1483 50.33090 224.2349 19.25762 36.91336       53.88929 
1 1 1 17  17 2  o 550.6765 12.73245 71.41442       3.298205  0.000000       0.000000  71.41442       3.298205  ?        ?        550.6765 12.73245 0.000000       12.73245 
1 1 1 17  17 3  o 482.6989 12.67848 54.87186       2.878809  68.10345       9.142720  53.41563       3.033092  534.0317 36.61590 476.2077 13.54004 57.82397       39.03917 
1 1 1 17  17 4  o 519.2774 16.82492 63.57007       4.109811  58.76933       8.467125  65.04971       4.700683  495.8341 36.55987 525.1148 19.02994 -29.28073      41.21605 
1 1 1 17  17 5  f 566.0545 13.91641 75.48822       3.705568  70.60048       9.138811  76.44994       4.053763  543.7162 35.93387 569.5626 15.13030 -25.84637      38.98935 
1 1 1 17  17 6  o 251.9253 23.45574 15.13003       2.747708  15.77884       7.057611  15.01412       2.983071  250.0372 60.63047 250.6188 25.66554 -0.5816345     65.83900 
1 1 1 17  17 7  o 390.3448 22.45935 36.12973       4.106572  33.79905       7.936674  36.98182       4.798892  372.5670 46.28329 394.3981 26.01251 -21.83112      53.09232 
1 1 1 17  17 8  o 371.0696 30.53091 32.91311       5.281946  43.51962       8.326136  25.76992       6.832870  424.2484 42.28430 324.4439 46.06432 99.80441       62.52906 
1 1 1 17  17 9  f 575.9210 14.32833 78.19216       3.881750  77.42547       5.294502  79.08330       5.708041  572.5107 19.65949 578.4346 20.97797 -5.923889      28.75014 
1 1 1 17  17 10 o 345.7715 17.92143 28.30551       2.904950  31.14795       3.808871  24.35304       4.491431  362.1093 22.47175 318.5962 30.33548 43.51312       37.75210 
1 1 1 17  17 11 o 596.5747 19.20925 84.12078       5.390693  86.53390       10.89352  83.33823       6.203497  599.3699 38.84620 593.3005 22.22760 6.069397       44.75593 
1 1 1 17  17 12 o 489.5273 24.29197 56.84979       5.593826  0.000000       0.000000  56.84979       5.593826  ?        ?        489.5273 24.29197 0.000000       24.29197 
1 1 1 17  17 13 o 119.3528 39.55954 3.284251       2.589179  2.367658       3.197824  5.028800       4.411719  114.6133 43.32424 149.1975 51.61946 -34.58421      67.39108 
1 1 1 17  17 14 o 375.0909 19.45862 33.40187       3.421554  32.00762       4.479041  35.35556       5.302017  365.7649 26.20604 383.6400 29.60881 -17.87509      39.54033 
1 1 1 17  17 15 o 202.2480 33.26809 10.07064       3.054978  16.12474       3.893268  0.3700952      4.928193  257.1382 32.94439 118.1958 50.37466 138.9424       60.19085 
1 1 1 17  17 16 o 251.5170 25.70315 15.24335       2.998318  13.10415       3.844191  18.56601       4.790958  230.0636 36.75858 274.2581 38.17069 -44.19450      52.99240 
1 1 1 17  17 17 o 322.2082 26.66077 24.99637       4.004601  24.53921       4.560264  26.53686       8.371106  317.9837 30.87633 319.4149 57.84287 -1.431274      65.56786 
1 1 1 17  17 18 o 308.2832 23.27001 22.79402       3.349681  23.51737       4.627628  21.99789       4.854867  310.4980 32.14905 299.1526 35.17110 11.34543       47.65047 
1 1 1 17  17 19 o 224.5099 33.69730 12.47766       3.448903  9.319263       5.007485  15.32812       4.757112  188.6190 53.80095 246.0161 42.65234 -57.39719      68.65686 
1 1 1 17  17 20 o 206.6263 34.03336 10.63385       3.192762  15.10117       4.327260  5.296117       4.730077  245.3104 38.78950 150.5111 53.34772 94.79929       65.95911 
1 1 1 17  17 21 o 163.8619 50.67888 6.916811       4.303880  12.62188       9.010815  5.230599       4.898798  214.7963 73.80288 150.3222 54.18238 64.47418       91.55652 
1 1 1 17  17 22 o 206.6055 38.91946 10.86707       3.643728  11.29042       4.521900  10.08323       6.152933  207.4273 47.38158 193.3248 60.72793 14.10254       77.02529 
1 1 1 17  17 23 f 555.2425 18.75239 73.49825       4.897887  66.39207       6.455715  83.13656       7.518417  524.3917 26.17093 586.1578 27.26733 -61.76605      37.79451 
1 1 1 17  17 24 o 148.7581 43.57921 5.773291       3.245645  0.2404512      4.319380  12.94864       4.918910  107.6033 46.52656 220.0269 48.80301 -112.4237      67.42740 
1 1 1 17  17 25 o 208.8199 48.56601 11.80625       4.680502  10.50832       5.927059  13.95660       7.629003  192.6157 59.45617 216.7023 67.54773 -24.08662      89.98740 
1 1 1 17  17 26 o 95.84498 40.77427 0.5680220      3.218066  7.502973       5.511716  -3.018740      3.963843  165.4461 57.67104 85.29073 39.85839 80.15539       70.10450 
1 1 1 17  17 27 o 173.5986 40.81839 8.106206       3.277219  7.669442       5.394305  8.361726       4.125949  164.5460 57.07063 172.7537 48.68391 -8.207657      75.01453 
1 1 1 17  17 28 o 189.2995 56.99981 10.85910       5.492448  0.000000       0.000000  10.85910       5.492448  ?        ?        189.2995 56.99981 0.000000       56.99981 
1 1 1 17  19 0  o 95.18292 40.40344 0.1245371      3.147430  -2.470944      4.523780  2.559751       4.381886  99.08327 44.92231 128.8012 50.18707 -29.71795      67.35545 
1 1 1 17  19 1  o 166.2234 53.05831 6.596315       4.681311  0.000000       0.000000  6.596315       4.681311  ?        ?        166.2234 53.05831 0.000000       53.05831 
1 1 1 17  19 2  o 297.7423 15.61442 20.96333       2.179310  0.000000       0.000000  20.96333       2.179310  ?        ?        297.7423 15.61442 0.000000       15.61442 
1 1 1 17  19 3  o 574.3029 12.10915 77.70152       3.271326  84.72059       8.986301  76.62925       3.512323  595.9070 32.17703 570.2479 13.09367 25.65912       34.73911 
1 1 1 17  19 4  o 834.3983 12.67444 164.0527       4.974753  167.2711       12.25352  163.4176       5.443555  838.7020 31.05874 832.6268 13.89834 6.075195       34.02659 
1 1 1 17  19 5  o 388.9933 14.08272 35.67332       2.576902  34.80975       7.426372  35.79153       2.747618  378.4739 42.44427 389.5763 14.99321 -11.10239      45.01458 
1 1 1 17  19 6  o 409.7095 16.38578 39.61240       3.158002  30.41023       7.487504  41.60358       3.482951  352.1568 46.32336 419.7702 17.63869 -67.61340      49.56791 
1 1 1 17  19 7  o 772.0101 14.15029 140.5444       5.138750  153.3591       12.31552  137.8430       5.654509  801.9532 32.64633 764.3214 15.72713 37.63177       36.23708 
1 1 1 17  19 8  o 509.8817 16.32656 61.37142       3.915917  64.23901       9.453902  60.77753       4.302352  515.7786 39.26017 507.2051 18.03238 8.573425       43.20332 
1 1 1 17  19 9  o 182.8010 35.47578 8.264698       2.940533  2.638823       6.833155  9.543318       3.257595  150.4689 61.30591 196.5228 36.58457 -46.05389      71.39220 
1 1 1 17  19 10 o 859.5481 17.76016 174.6315       7.181022  180.4102       14.09033  172.6039       8.346272  867.7422 34.51925 853.7681 20.78181 13.97412       40.29221 
1 1 1 17  19 11 o 278.8465 22.33061 18.55716       2.904532  18.60286       3.880355  18.49893       4.380168  277.5431 30.20947 275.6694 34.53589 1.873718       45.88398 
1 1 1 17  19 12 o 460.5356 21.16344 50.29285       4.584782  50.74317       9.027221  50.13631       5.322320  455.1801 42.65765 458.4858 24.76967 -3.305756      49.32759 
1 1 1 17  19 13 o 556.6148 20.38070 73.47012       5.336336  56.27230       9.870300  80.57322       6.343338  478.0703 44.39732 582.2082 23.16169 -104.1378      50.07581 
1 1 1 17  19 14 o 278.1921 22.08228 18.50508       2.865974  20.85463       3.712432  15.03930       4.508872  294.2615 27.12518 245.7029 40.41679 48.55858       48.67538 
1 1 1 17  19 15 o 488.4206 16.16150 56.44891       3.713171  52.52594       4.832079  62.10592       5.802556  469.9694 21.85723 510.4099 24.16746 -40.44049      32.58534 
1 1 1 17  19 16 o 269.8211 22.71884 17.46133       2.856743  17.89311       3.715530  16.83701       4.467775  271.3756 29.58522 260.6457 37.52071 10.72995       47.78168 
1 1 1 17  19 17 o 196.5442 30.22662 9.503892       2.705073  12.25817       3.631587  6.071049       4.054331  221.9703 36.01445 155.8676 49.33786 66.10268       61.08408 
1 1 1 17  19 18 o 220.3192 36.81377 12.12852       3.680704  12.42568       4.208818  11.16231       7.589302  221.2768 41.97042 205.5376 67.70940 15.73924       79.66228 
1 1 1 17  19 19 o 481.9223 17.88021 55.14417       4.053396  55.37563       5.427804  54.85234       6.094720  481.1271 23.98253 476.9503 27.27834 4.176727       36.32175 
1 1 1 17  19 20 o 202.0892 33.93810 10.19845       3.111897  8.069539       4.115462  13.04084       4.755337  175.7968 48.28635 224.2547 46.60028 -48.45790      67.10558 
1 1 1 17  19 21 o 155.6981 43.52078 6.267241       3.311260  0.5356813      4.006744  18.61475       5.880914  106.9185 45.49146 267.3067 48.55838 -160.3882      66.53863 
1 1 1 17  19 22 o 106.0341 45.35599 0.4355847      4.021492  0.9512486      8.408319  0.2826429      4.579192  146.9704 64.21556 111.2421 48.00291 35.72829       80.17430 
1 1 1 17  19 23 o 261.1854 26.25297 16.66952       3.181817  21.96630       4.568092  11.67819       4.434422  297.0428 33.26334 209.9893 46.15114 87.05341       56.88917 
1 1 1 17  19 24 o 130.8989 41.63911 4.371283       2.885028  4.169811       4.044656  4.579962       4.116380  133.7748 49.07647 137.8368 49.66919 -4.062012      69.82497 
1 1 1 17  19 25 o 256.2470 29.24232 16.34693       3.461716  14.16469       5.388103  17.88088       4.517398  225.7078 51.84021 263.7179 37.46860 -38.01009      63.96329 
1 1 1 17  19 26 o 116.2297 46.85527 2.397006       3.943723  2.993460       4.903870  1.304994       6.635354  127.5394 51.94617 130.0569 56.92945 -2.517456      77.06729 
1 1 1 17  19 27 o 230.9989 36.49111 13.99031       3.833523  11.96790       5.313338  16.18609       5.536377  200.8710 54.73835 237.9094 51.00257 -37.03839      74.81676 
1 1 1 17  21 0  o 677.6864 36.06383 110.3746       11.45524  110.3746       11.45524  0.000000       0.000000  677.6864 36.06383 ?        ?        0.000000       36.06383 
1 1 1 17  21 1  o 185.7495 29.31138 8.409458       2.476200  0.000000       0.000000  8.409458       2.476200  ?        ?        185.7495 29.31138 0.000000       29.31138 
1 1 1 17  21 2  o 325.0775 14.50997 24.93180       2.218824  32.04519       6.736752  24.06626       2.349941  362.7928 40.14801 319.3050 15.64524 43.48788       43.08870 
1 1 1 17  21 3  o 57.72815 26.25445 -0.9540451     1.560588  0.2133175      5.385626  -1.061049      1.630544  123.0406 52.55547 58.48853 26.69145 64.55206       58.94498 
1 1 1 17  21 4  o 387.7625 12.99861 35.45516       2.371003  36.74198       6.963534  35.28642       2.521677  389.1157 38.55089 386.7711 13.86009 2.344604       40.96673 
1 1 1 17  21 5  o 730.4457 12.45299 125.7941       4.278888  137.9608       11.45916  123.8229       4.612514  759.8322 32.06018 724.5422 13.53333 35.28992       34.79951 
1 1 1 17  21 6  o 402.0410 13.52449 38.12892       2.557766  29.87515       7.608097  39.18066       2.715843  347.1829 47.85729 407.4901 14.16832 -60.30719      49.91053 
1 1 1 17  21 7  f 359.8198 14.91325 30.56495       2.524217  29.29548       7.679564  30.71871       2.672721  343.0808 48.97511 360.6461 15.75444 -17.56534      51.44671 
1 1 1 17  21 8  o 657.7661 13.85961 102.1041       4.288365  103.1213       10.67337  101.9083       4.682973  654.3649 34.79977 656.9194 15.15445 -2.554565      37.95631 
1 1 1 17  21 9  o 464.3696 16.40513 50.97073       3.583544  45.24376       8.342493  52.26654       3.968304  429.8860 41.78258 470.0064 17.94866 -40.12039      45.47459 
1 1 1 17  21 10 o 283.8741 27.02884 19.38977       3.565716  0.000000       0.000000  19.38977       3.565716  ?        ?        283.8741 27.02884 0.000000       27.02884 
1 1 1 17  21 11 o 198.9579 32.66911 9.746906       2.951356  21.50119       7.382150  7.510708       3.219882  288.8446 56.35461 172.5119 40.39032 116.3327       69.33411 
1 1 1 17  21 12 o 246.8882 21.91134 14.59682       2.518267  18.10205       3.265805  9.455747       3.955112  274.3255 25.60376 192.7692 44.51579 81.55626       51.35375 
1 1 1 17  21 13 o 419.3651 16.33009 41.61800       3.221441  36.67445       4.111664  49.47673       5.184113  392.0045 22.39044 454.9422 24.31219 -62.93768      33.05169 
1 1 1 17  21 14 o 220.5591 37.68346 12.12908       3.769299  2.291914       7.793748  15.13247       4.306432  153.2338 64.22893 246.7116 38.35291 -93.47780      74.80843 
1 1 1 17  21 15 o 863.6829 14.98843 176.4397       6.089472  166.3444       8.050082  189.9434       9.310359  836.5841 20.45603 893.1517 22.16011 -56.56763      30.15824 
1 1 1 17  21 16 o 321.9891 19.41883 24.71469       2.927499  24.58697       3.793173  24.90284       4.603792  319.6378 25.43807 319.9777 30.97393 -0.3398743     40.08092 
1 1 1 17  21 17 o 210.1573 27.75063 10.78228       2.676284  10.60057       3.391651  11.08211       4.356706  205.7901 36.36630 207.3990 45.87297 -1.608902      58.53920 
1 1 1 17  21 18 o 189.6138 31.75375 8.924891       2.732121  7.847924       3.531794  10.52978       4.311381  174.5403 43.23911 201.5223 46.43497 -26.98195      63.44940 
1 1 1 17  21 19 o 180.4594 38.80820 8.308727       3.196492  7.156152       3.460633  15.00595       8.341960  166.3191 43.67363 231.2260 70.38647 -64.90697      82.83503 
1 1 1 17  21 20 o 151.4221 39.27563 5.894823       2.821311  7.655555       3.683927  3.397272       4.387547  171.2144 45.10950 131.4986 50.49639 39.71574       67.71080 
1 1 1 17  21 21 o 350.9725 20.34081 29.53584       3.343832  30.27637       4.545393  28.66237       4.936575  352.5622 27.62842 341.4378 31.07594 11.12439       41.58177 
1 1 1 17  21 22 o 296.6072 23.46275 21.31139       3.246910  14.77513       4.343572  29.58943       4.888169  239.8863 39.89320 346.6510 30.28066 -106.7647      50.08379 
1 1 1 17  21 23 o 97.01897 40.84694 0.7225680      3.174912  2.996433       6.231517  -0.7462572E-01 3.689720  139.1751 57.80859 97.77980 42.63557 41.39526       71.83053 
1 1 1 17  21 24 f 235.4728 29.00018 13.82292       3.144375  18.34721       5.208504  11.22847       3.944217  263.3346 43.57067 205.6040 42.19543 57.73061       60.65359 
1 1 1 17  21 25 o 121.4178 42.69106 3.642115       3.023375  0.1599881      4.803263  5.926981       3.890849  109.5643 48.18567 147.8173 48.47053 -38.25306      68.34655 
1 1 1 17  23 0  o 544.9296 23.19494 70.55254       5.945700  66.73603       10.07475  72.59216       7.365033  522.8427 41.29945 550.6285 28.53243 -27.78577      50.19706 
1 1 1 17  23 1  o 300.9165 28.24052 21.79718       3.950731  29.99406       6.558318  17.12842       4.949585  349.6008 40.63778 262.7867 41.41111 86.81415       58.01990 
1 1 1 17  23 2  o 729.1703 12.58633 125.4260       4.317153  129.3698       10.80138  124.6762       4.709695  734.9399 31.24339 726.7741 13.77603 8.165833       34.14569 
1 1 1 17  23 3  o 396.8398 13.48834 37.16727       2.517927  30.61831       6.804124  38.20642       2.710338  352.8080 41.81174 402.2611 14.32340 -49.45309      44.19707 
1 1 1 17  23 4  o 256.8845 16.21198 15.65993       1.948990  15.29429       6.448380  15.69669       2.044616  242.9798 57.34105 257.0718 17.00387 -14.09193      59.80909 
1 1 1 17  23 5  o 869.1475 14.54197 178.4069       5.945466  180.0535       13.41667  178.0045       6.632217  865.8420 32.94099 867.7246 16.24828 -1.882568      36.73031 
1 1 1 17  23 6  o 524.5872 12.26656 64.91939       3.026981  80.35078       9.775480  63.28286       3.183445  575.9410 36.26725 517.8285 13.06899 58.11249       38.55012 
1 1 1 17  23 7  o 209.3159 18.31917 10.45316       1.785593  0.000000       0.000000  10.45316       1.785593  ?        ?        209.3159 18.31917 0.000000       18.31917 
1 1 1 17  23 8  o 260.7293 18.18610 16.17656       2.216512  22.93104       7.463124  15.52313       2.321250  298.9247 55.10524 255.1611 19.48652 43.76350       58.44922 
1 1 1 17  23 9  o 262.0377 18.61116 16.35079       2.279149  25.62723       8.121896  15.55786       2.374559  315.3435 56.84359 255.3404 19.92722 60.00308       60.23528 
1 1 1 17  23 10 o 428.6174 16.07395 43.45804       3.240870  42.47919       8.825573  43.61060       3.484295  413.0797 46.21098 429.1816 17.25856 -16.10193      49.32861 
1 1 1 17  23 11 o 249.0820 25.62217 14.95999       2.959302  9.010108       7.543568  16.04220       3.217193  192.2786 67.44369 257.7010 26.93756 -65.42244      72.62426 
1 1 1 17  23 12 o 84.58226 37.17089 -0.6020744     2.853593  -13.24911      7.117980  1.819805       3.114861  94.83359 46.53782 107.8009 42.22800 -12.96733      62.84085 
1 1 1 17  23 13 o 584.4061 22.33123 81.31231       6.138987  74.64329       10.64948  84.63140       7.512897  550.4999 41.42836 594.6091 26.86004 -44.10919      49.37378 
1 1 1 17  23 14 o 425.3080 15.78326 42.81738       3.157691  38.88429       4.072912  48.74353       4.999476  403.6471 21.52807 451.4176 23.62594 -47.77051      31.96315 
1 1 1 17  23 15 o 389.7384 23.40528 36.38234       4.271096  18.02913       8.397822  42.78624       4.960590  256.3251 68.38319 422.2064 25.08977 -165.8813      72.84063 
1 1 1 17  23 16 o 318.9271 26.50223 24.56749       3.939957  15.23187       8.134409  27.42894       4.503474  235.0136 69.03166 336.3509 28.73922 -101.3372      74.77508 
1 1 1 17  23 17 o 331.8859 19.29014 26.29291       2.998582  26.69346       3.962003  25.75585       4.587752  332.6064 25.51752 324.9836 30.36196 7.622864       39.66098 
1 1 1 17  23 18 o 284.4319 20.92438 19.40933       2.779971  20.75394       3.739914  17.74900       4.155843  292.1304 27.54049 267.7358 33.74742 24.39462       43.55877 
1 1 1 17  23 19 o 242.6965 23.56689 14.26244       2.656592  13.60229       3.473644  15.19261       4.123315  234.0189 32.42612 245.7780 36.79612 -11.75905      49.04496 
1 1 1 17  23 20 o 87.52454 37.80000 -0.2623505E-01 2.844265  -1.768513      3.108466  8.935791       7.050022  80.27152 36.71738 183.3896 65.11568 -103.1180      74.75438 
1 1 1 17  23 21 o 167.5612 33.04739 7.140963       2.512280  6.998771       3.481204  7.295504       3.629219  162.5486 44.31191 165.6655 45.27844 -3.116928      63.35363 
1 1 1 17  23 22 o 124.8963 37.92875 3.998058       2.424395  5.054218       3.380307  2.879293       3.479050  139.6563 45.14038 118.0851 45.05580 21.57117       63.77836 
1 1 1 17  23 23 o 230.3546 28.46067 13.22405       3.018391  15.38942       4.765872  11.77376       3.900344  240.3235 43.77031 211.2072 40.73397 29.11630       59.79211 
1 1 1 17  25 0  o 325.4096 19.50214 25.20096       2.971495  23.86790       5.190123  25.85101       3.624285  312.2727 35.99127 328.7124 23.59588 -16.43967      43.03646 
1 1 1 17  25 1  o 433.8290 23.67072 44.93301       4.812326  35.87991       7.538635  51.15934       6.251869  380.9731 42.80684 461.3448 28.95493 -80.37167      51.67991 
1 1 1 17  25 2  o 219.1409 21.43535 11.51249       2.181356  15.98098       6.408936  10.92701       2.319865  247.9339 56.24353 213.0195 23.54483 34.91443       60.97289 
1 1 1 17  25 3  o 170.2779 24.93306 7.050626       1.937947  9.759216       5.805834  6.711001       2.055858  194.7941 58.59193 165.5045 27.36288 29.28958       64.66639 
1 1 1 17  25 4  o 146.3445 30.45515 5.320525       2.028329  2.431332       5.741902  5.732459       2.168110  138.3488 56.26355 151.8430 31.39118 -13.49411      64.42820 
1 1 1 17  25 5  o 419.2937 13.06911 41.50317       2.577707  49.64329       7.672804  40.46755       2.736772  451.6316 36.42588 413.9097 14.05606 37.72186       39.04379 
1 1 1 17  25 6  o 287.7931 14.95865 19.62797       2.018099  12.65161       6.196824  20.45566       2.134459  219.8310 58.78554 293.7335 15.50265 -73.90256      60.79533 
1 1 1 17  25 7  o 206.3961 18.44833 10.17364       1.772254  22.73781       6.930739  9.294631       1.833201  298.8735 51.13540 196.9181 20.07101 101.9554       54.93336 
1 1 1 17  25 8  o 518.8719 12.61437 63.55081       3.078897  49.07848       8.533646  65.71665       3.301252  446.6834 41.07317 527.5334 13.30330 -80.85001      43.17387 
1 1 1 17  25 9  o 85.13006 30.21062 1.518446       1.517338  -6.156362      6.851357  1.914286       1.555976  110.5527 51.89877 91.72108 30.67629 18.83159       60.28695 
1 1 1 17  25 10 o 171.5797 23.72794 7.144582       1.863862  2.006243       6.796504  7.562446       1.938168  144.1260 60.16084 176.5603 23.95464 -32.43433      64.75455 
1 1 1 17  25 11 o 291.2328 17.52181 20.17211       2.389256  10.26754       6.889059  21.52635       2.547365  199.1433 64.44939 300.7766 18.08848 -101.6333      66.93966 
1 1 1 17  25 12 o 252.9258 24.45708 15.41514       2.873504  8.418550       7.344098  16.67986       3.122433  186.2771 66.42578 262.9004 25.57196 -76.62328      71.17802 
1 1 1 17  25 13 o 256.1702 23.16062 15.78295       2.760741  24.46195       7.831645  14.55143       2.950116  305.6387 56.55525 245.1829 25.97431 60.45576       62.23473 
1 1 1 17  25 14 o 234.1373 25.15336 13.27242       2.726928  22.99346       7.838205  11.93381       2.908627  294.2907 58.67862 220.9231 28.66392 73.36758       65.30544 
1 1 1 17  25 15 o 599.6803 18.79527 85.50979       5.301975  56.51011       10.32757  95.88829       6.178299  472.3082 47.11268 634.2957 20.70656 -161.9875      51.46228 
1 1 1 17  25 16 o 259.3532 22.73560 16.21017       2.745753  15.53805       3.848441  16.90705       3.918674  250.4090 33.51167 261.7329 32.52979 -11.32393      46.70353 
1 1 1 17  25 17 o 152.6310 43.90611 6.022455       3.321490  4.464923       6.177743  6.655767       3.939310  150.9503 59.36549 160.0178 48.29278 -9.067474      76.52748 
1 1 1 17  25 18 o 435.2101 15.76202 44.98805       3.226860  53.41832       4.834595  38.21518       4.333374  472.1513 21.76755 398.2089 23.23463 73.94244       31.83825 
1 1 1 17  25 19 o 219.0098 25.21767 11.73276       2.550550  14.89819       3.629874  8.645795       3.584599  244.3306 32.38002 181.3699 42.71938 62.96065       53.60420 
1 1 1 17  25 20 o 119.5303 49.00863 2.049071       4.401460  4.696790       6.724670  0.6465518E-01  5.821721  152.1799 61.24181 120.6816 53.06249 31.49828       81.03201 
1 1 1 17  27 0  o 124.9054 39.07782 3.791664       2.550684  5.913889       4.477182  2.771870       3.103597  156.2505 52.03133 116.9253 42.97544 39.32520       67.48443 
1 1 1 17  27 1  o 499.4919 22.21742 59.36395       5.220251  66.91439       8.462853  54.72652       6.632373  525.0499 34.45585 476.5570 29.73430 48.49289       45.51191 
1 1 1 17  27 2  o 456.8535 13.88570 49.31231       2.984105  39.92271       7.330407  51.17742       3.267066  403.1126 39.15120 465.2498 14.92803 -62.13718      41.90063 
1 1 1 17  27 3  o 78.51386 33.33861 0.1163822      2.144077  7.467301       5.503338  -1.199036      2.328023  173.7853 57.67793 71.48780 32.33506 102.2975       66.12337 
1 1 1 17  27 4  o 389.7065 14.39236 35.89518       2.638390  32.07491       7.236006  36.48095       2.833455  358.9718 43.75731 392.7437 15.33690 -33.77191      46.36726 
1 1 1 17  27 5  o 214.3216 20.72142 11.01290       2.063011  5.190250       6.270141  11.71975       2.184646  159.7573 60.59880 221.0435 21.27308 -61.28627      64.22429 
1 1 1 17  27 6  o 281.0565 16.44212 18.76388       2.164334  15.82640       6.579784  19.12028       2.291872  245.1552 57.96791 283.5807 17.26301 -38.42557      60.48380 
1 1 1 17  27 7  o 176.1155 27.07895 7.590096       2.171516  2.908145       6.158649  8.254817       2.320553  143.9497 58.36904 183.6642 27.72244 -39.71445      64.61794 
1 1 1 17  27 8  o 339.1341 18.17156 27.35501       2.888356  0.000000       0.000000  27.35501       2.888356  ?        ?        339.1341 18.17156 0.000000       18.17156 
1 1 1 17  27 9  o 327.5948 16.79047 25.49435       2.578737  21.28419       7.321338  26.09065       2.755307  284.9884 56.60841 331.2225 17.74857 -46.23413      59.32557 
1 1 1 17  27 10 o 177.4505 25.67169 7.686789       2.080622  -13.15101      6.290679  10.24630       2.204704  85.99530 42.49560 205.9702 23.15641 -119.9749      48.39520 
1 1 1 17  27 11 o 457.6026 16.74566 49.64832       3.604625  35.04757       7.417983  54.16172       4.124298  374.1893 42.91924 477.5643 18.35899 -103.3750      46.68098 
1 1 1 17  27 12 o 155.7622 32.17122 6.085905       2.279176  0.7357314      5.617388  7.140223       2.493654  125.5163 53.64522 168.9165 32.56357 -43.40014      62.75505 
1 1 1 17  27 13 o 115.6695 39.65701 3.092689       2.601016  -0.5957194     5.838854  4.005822       2.905194  120.4382 53.04303 128.3255 41.87405 -7.887375      67.57957 
1 1 1 17  27 14 o 225.1047 45.76081 13.15449       4.680481  10.35375       6.337111  16.51605       6.942659  195.8398 61.64836 245.6053 60.49085 -49.76552      86.36934 
1 1 1 17  27 15 o 288.7477 52.55446 22.08086       6.875360  0.000000       0.000000  22.08086       6.875360  ?        ?        288.7477 52.55446 0.000000       52.55446 
1 1 1 17  27 16 o 181.0295 49.98067 8.759591       4.396111  19.49762       6.805869  1.071938       5.758615  268.0402 55.79240 126.8291 54.26366 141.2111       77.82890 
1 1 1 17  27 17 o 222.7268 43.49471 12.96312       4.393507  19.69382       6.906919  8.388824       5.693988  267.6686 56.62320 176.3547 58.67508 91.31389       81.54111 
1 1 1 17  29 0  o 469.6919 15.07270 52.21474       3.330224  45.07962       4.706693  59.36782       4.712609  433.9945 23.13837 499.6295 20.05137 -65.63501      30.61767 
1 1 1 17  29 1  o 223.0260 36.07081 12.38951       3.655065  10.65101       5.354818  13.90606       5.001350  201.1113 55.01304 232.4526 47.34679 -31.34131      72.58204 
1 1 1 17  29 2  o 496.8410 15.08435 58.42229       3.525439  65.63615       7.945488  56.65394       3.933879  519.7723 32.66270 488.8298 17.10779 30.94254       36.87178 
1 1 1 17  29 3  o 227.7455 21.22360 12.45340       2.247540  16.37634       6.436163  11.90858       2.398536  248.9740 56.27740 222.1998 23.29379 26.77417       60.90769 
1 1 1 17  29 4  o 124.8126 32.82715 3.909261       1.953126  11.18906       5.447911  2.835601       2.092202  205.8917 55.14478 109.3092 35.52874 96.58253       65.59907 
1 1 1 17  29 5  o 324.0150 16.32844 24.93993       2.480740  21.48633       6.312058  25.57083       2.697830  289.8885 47.96556 327.8470 17.55713 -37.95847      51.07786 
1 1 1 17  29 6  o 217.4393 27.35552 11.52529       2.736099  7.140310       5.835811  12.76076       3.097658  170.7065 59.35154 228.3308 29.53232 -57.62428      66.29301 
1 1 1 17  29 7  o 108.3030 48.11688 -1.135256      4.908254  0.000000       0.000000  -1.135256      4.908254  ?        ?        108.3030 48.11688 0.000000       48.11688 
1 1 1 17  29 8  o 216.5197 39.54012 11.86149       3.878815  11.09394       5.514733  12.61296       5.456673  204.1157 55.82578 218.2113 53.55761 -14.09566      77.36237 
1 1 1 17  29 9  o 249.1666 35.24470 15.43594       4.015718  10.27943       5.519831  21.23365       5.852964  196.3315 56.63656 288.8211 44.51005 -92.48956      72.03363 
1 1 1 17  29 10 o 99.06343 46.10900 -3.935791      5.220578  -3.935791      5.220578  0.000000       0.000000  99.06343 46.10900 ?        ?        0.000000       46.10900 
1 1 1 17  29 11 o 129.6477 47.35549 3.686356       3.760094  -2.651308      5.236179  10.43401       5.402891  104.2774 47.68208 196.9834 55.78004 -92.70597      73.38251 
1 1 1 17  29 12 o 88.39201 40.39849 -2.055115      3.752894  -4.146849      5.243832  0.1412010      5.373324  98.11568 45.84930 118.8381 51.63826 -20.72241      69.05554 
1 1 1 17  29 13 o 157.2693 48.62914 6.437308       3.963023  -1.775862      5.537236  15.06243       5.674403  110.8196 50.02035 236.9578 52.30707 -126.1381      72.37447 
1 1 1 17  29 14 o 190.4649 60.74735 10.00000       6.137365  0.000000       0.000000  10.00000       6.137365  ?        ?        190.4649 60.74735 0.000000       60.74735 
1 1 1 17  31 0  o 245.4831 33.22431 14.93742       3.738029  16.75684       5.410470  13.27586       5.170436  254.3296 46.95371 224.3570 50.24092 29.97263       68.76628 
1 1 1 17  31 1  o 291.3077 29.58840 20.73830       3.998278  21.66766       5.900881  19.94947       5.436465  291.3141 44.47073 280.2196 42.58316 11.09445       61.57087 
1 1 1 17  31 2  o 141.9424 53.58832 4.236029       4.888664  4.236029       4.888664  0.000000       0.000000  141.9424 53.58832 ?        ?        0.000000       53.58832 
1 1 1 17  31 3  o 171.0465 43.23953 7.584137       3.480924  6.584424       4.914066  8.590964       4.931521  161.7622 54.51368 180.3259 53.94626 -18.56374      76.69380 
1 1 1 17  31 4  o 157.1864 45.84698 6.382779       3.599237  1.256540       5.044093  11.70036       5.137368  122.4279 51.51194 209.6283 52.27608 -87.20044      73.39120 
1 1 1 17  31 5  o 356.8340 26.44716 30.82772       4.407700  33.97741       6.590527  28.27884       5.928723  369.0291 38.53394 336.5702 38.11906 32.45892       54.20265 
1 1 1 17  31 6  o 99.09691 42.29103 0.3209076      3.481832  0.7378122      5.269655  -0.2124554E-02 4.638598  121.3353 51.91087 110.6491 48.02891 10.68623       70.72138 
1 1 1 17  31 7  o 237.2485 35.68687 14.10944       3.859401  11.34958       5.899519  16.17420       5.102793  204.0019 58.46593 250.1470 45.02097 -46.14502      73.79128 
1 1 1 17  31 8  o 208.0035 40.52325 11.11025       3.822464  21.25446       6.019829  4.256837       4.947985  286.6013 46.22415 141.7223 53.81407 144.8790       70.94100 
1 1 1 18  0  0  o 1779.919 25.81685 747.0973       21.60563  747.0973       21.60563  747.0973       21.60563  1779.919 25.81685 1779.919 25.81685 0.000000       0.000000 
1 1 1 18  0  1  o 760.0717 17.50301 136.2151       6.250522  136.2151       6.250522  136.2151       6.250522  760.0717 17.50301 760.0717 17.50301 0.000000       0.000000 
1 1 1 18  0  2  o 84.72615 47.52129 2.277821       2.855356  2.277821       2.855356  2.277821       2.855356  84.72615 47.52129 84.72615 47.52129 0.000000       0.000000 
1 1 1 18  0  3  o 200.0071 37.06369 10.34957       3.134999  10.34957       3.134999  10.34957       3.134999  200.0071 37.06369 200.0071 37.06369 0.000000       0.000000 
1 1 1 18  0  4  o 660.1068 19.03907 102.8323       5.900803  102.8323       5.900803  102.8323       5.900803  660.1068 19.03907 660.1068 19.03907 0.000000       0.000000 
1 1 1 18  0  5  o 1252.709 21.67797 369.8235       12.76571  369.8235       12.76571  369.8235       12.76571  1252.709 21.67797 1252.709 21.67797 0.000000       0.000000 
1 1 1 18  0  6  o 1221.019 21.65284 351.3452       12.42792  351.3452       12.42792  351.3452       12.42792  1221.019 21.65284 1221.019 21.65284 0.000000       0.000000 
1 1 1 18  0  7  o 388.1748 24.44288 35.90331       4.422662  35.90331       4.422662  35.90331       4.422662  388.1748 24.44288 388.1748 24.44288 0.000000       0.000000 
1 1 1 18  0  8  o 304.0153 30.24652 22.41669       4.227312  22.41669       4.227312  22.41669       4.227312  304.0153 30.24652 304.0153 30.24652 0.000000       0.000000 
1 1 1 18  0  9  o 1121.043 30.13099 296.7896       15.86336  296.7896       15.86336  296.7896       15.86336  1121.043 30.13099 1121.043 30.13099 0.000000       0.000000 
1 1 1 18  0  10 o 824.0731 21.36756 160.2072       8.270458  160.2072       8.270458  160.2072       8.270458  824.0731 21.36756 824.0731 21.36756 0.000000       0.000000 
1 1 1 18  0  11 o 1103.743 22.42831 287.2293       11.63400  287.2293       11.63400  287.2293       11.63400  1103.743 22.42831 1103.743 22.42831 0.000000       0.000000 
1 1 1 18  0  12 o 1628.309 26.53784 625.2296       20.31475  625.2296       20.31475  625.2296       20.31475  1628.309 26.53784 1628.309 26.53784 0.000000       0.000000 
1 1 1 18  0  13 o 76.96366 50.20553 -0.4582081     4.434452  -0.4582081     4.434452  -0.4582081     4.434452  76.96366 50.20553 76.96366 50.20553 0.000000       0.000000 
1 1 1 18  0  14 o 927.0663 23.31787 202.8677       10.15425  202.8677       10.15425  202.8677       10.15425  927.0663 23.31787 927.0663 23.31787 0.000000       0.000000 
1 1 1 18  0  15 o 568.8596 25.11545 76.72206       6.690900  76.72206       6.690900  76.72206       6.690900  568.8596 25.11545 568.8596 25.11545 0.000000       0.000000 
1 1 1 18  0  16 o 78.89385 51.92349 -0.8716420     4.900729  -0.8716420     4.900729  -0.8716420     4.900729  78.89385 51.92349 78.89385 51.92349 0.000000       0.000000 
1 1 1 18  0  17 o 376.2829 34.35342 34.30606       5.964170  34.30606       5.964170  34.30606       5.964170  376.2829 34.35342 376.2829 34.35342 0.000000       0.000000 
1 1 1 18  0  18 o 402.6140 45.81969 40.01189       8.387509  40.01189       8.387509  40.01189       8.387509  402.6140 45.81969 402.6140 45.81969 0.000000       0.000000 
1 1 1 18  0  19 o 331.6797 54.94665 28.37099       7.865489  28.37099       7.865489  28.37099       7.865489  331.6797 54.94665 331.6797 54.94665 0.000000       0.000000 
1 1 1 18  0  20 o 120.2326 74.50127 2.922711       8.384983  2.922711       8.384983  2.922711       8.384983  120.2326 74.50127 120.2326 74.50127 0.000000       0.000000 
1 1 1 18  0  21 o 174.5131 69.38007 10.21589       5.500309  10.21589       5.500309  10.21589       5.500309  174.5131 69.38007 174.5131 69.38007 0.000000       0.000000 
1 1 1 18  0  22 o 62.86768 44.41109 -6.199544      5.313393  -6.199544      5.313393  -6.199544      5.313393  62.86768 44.41109 62.86768 44.41109 0.000000       0.000000 
1 1 1 18  0  23 o 295.8364 48.38558 22.74876       6.192395  22.74876       6.192395  22.74876       6.192395  295.8364 48.38558 295.8364 48.38558 0.000000       0.000000 
1 1 1 18  0  24 o 237.4986 60.19312 16.16774       5.814803  16.16774       5.814803  16.16774       5.814803  237.4986 60.19312 237.4986 60.19312 0.000000       0.000000 
1 1 1 18  0  25 o 204.7106 81.84930 14.83056       7.642220  14.83056       7.642220  14.83056       7.642220  204.7106 81.84930 204.7106 81.84930 0.000000       0.000000 
1 1 1 18  0  26 o 109.4557 64.39077 3.914764       5.627158  3.914764       5.627158  3.914764       5.627158  109.4557 64.39077 109.4557 64.39077 0.000000       0.000000 
1 1 1 18  0  27 o 141.7223 69.25587 7.684871       5.456778  7.684871       5.456778  7.684871       5.456778  141.7223 69.25587 141.7223 69.25587 0.000000       0.000000 
1 1 1 18  0  28 o 149.5750 81.70251 9.200357       8.187000  9.200357       8.187000  9.200357       8.187000  149.5750 81.70251 149.5750 81.70251 0.000000       0.000000 
1 1 1 18  0  29 o 213.7651 60.98736 13.95110       5.314729  13.95110       5.314729  13.95110       5.314729  213.7651 60.98736 213.7651 60.98736 0.000000       0.000000 
1 1 1 18  0  30 f 193.5581 66.13921 12.49201       5.406143  12.49201       5.406143  12.49201       5.406143  193.5581 66.13921 193.5581 66.13921 0.000000       0.000000 
1 1 1 18  0  31 o 159.5883 76.55444 10.67182       6.626966  10.67182       6.626966  10.67182       6.626966  159.5883 76.55444 159.5883 76.55444 0.000000       0.000000 
1 1 1 18  0  32 o 113.2785 66.40254 5.279430       5.946207  5.279430       5.946207  5.279430       5.946207  113.2785 66.40254 113.2785 66.40254 0.000000       0.000000 
1 1 1 18  0  33 o 57.92027 41.35833 -6.123663      5.070812  -6.123663      5.070812  -6.123663      5.070812  57.92027 41.35833 57.92027 41.35833 0.000000       0.000000 
1 1 1 18  2  0  o 560.3000 13.43468 73.92968       3.540930  78.41856       7.152262  72.47221       4.075429  576.0402 26.39498 554.6288 15.62074 21.41144       30.67087 
1 1 1 18  2  1  o 519.9493 12.85615 63.65581       3.144424  65.55874       4.535317  61.89439       4.363436  527.3681 18.28203 512.4289 18.10196 14.93921       25.72769 
1 1 1 18  2  2  o 310.3739 17.17293 22.76828       2.497509  23.23451       3.551003  22.31189       3.513320  312.7885 24.32542 306.4449 24.57911 6.343597       34.58119 
1 1 1 18  2  3  o 1253.464 14.96251 370.0271       8.822380  374.3752       12.66586  365.9293       12.29583  1259.948 21.37040 1245.715 20.98310 14.23340       29.94970 
1 1 1 18  2  4  o 1253.480 15.05953 370.0071       8.879696  375.1013       12.72085  365.1660       12.40084  1261.280 21.44052 1244.501 21.18294 16.77881       30.13989 
1 1 1 18  2  5  o 823.4811 13.62040 159.6453       5.276100  157.8213       7.419991  161.5106       7.503778  818.3771 19.27439 827.8878 19.26811 -9.510681      27.25366 
1 1 1 18  2  6  o 455.6827 15.57909 48.89583       3.339443  46.01727       4.693768  51.84644       4.752145  441.1977 22.69301 468.9808 21.54097 -27.78311      31.28876 
1 1 1 18  2  7  o 819.5258 14.07775 158.1113       5.427066  162.0547       7.848125  154.4976       7.512907  829.2863 20.11834 809.7490 19.72369 19.53729       28.17395 
1 1 1 18  2  8  f 138.4727 42.13087 4.564206       2.989298  4.738407       4.867262  4.458702       3.787861  151.9135 54.08679 141.8341 47.86072 10.07938       72.22208 
1 1 1 18  2  9  o 539.8120 16.03349 68.61866       4.071363  64.67819       5.600567  73.03485       5.929016  523.7682 22.73126 556.5821 22.64561 -32.81384      32.08635 
1 1 1 18  2  10 o 554.3550 18.83115 72.40396       4.910594  70.96976       6.037156  75.20809       8.441628  548.5809 23.39497 563.1791 31.99678 -14.59821      39.63733 
1 1 1 18  2  11 o 947.7513 15.33017 211.5209       6.834560  213.5167       9.772378  209.6101       9.562108  951.6212 21.83066 942.9038 21.55842 8.717346       30.68132 
1 1 1 18  2  12 o 430.2708 18.98504 43.63007       3.842579  42.41449       5.418324  44.86003       5.450271  422.9079 27.38343 435.0554 26.76182 -12.14749      38.28900 
1 1 1 18  2  13 o 812.3867 22.74170 155.7071       8.690706  155.7071       8.690706  0.000000       0.000000  812.3867 22.74170 ?        ?        0.000000       22.74170 
1 1 1 18  2  14 o 886.5404 18.75640 185.2854       7.821990  200.6540       14.43495  178.8967       9.306831  920.2811 33.34460 870.6519 22.72417 49.62921       40.35158 
1 1 1 18  2  15 o 559.5792 18.21408 73.82832       4.794444  78.05562       6.832172  69.72686       6.729723  574.7285 25.27125 543.0911 26.34240 31.63739       36.50422 
1 1 1 18  2  16 o 562.1574 18.19922 74.53539       4.812603  69.01314       6.662774  80.55955       6.958980  540.1255 26.22352 583.6729 25.34585 -43.54730      36.47033 
1 1 1 18  2  17 o 510.2248 22.18172 61.52671       5.323853  61.65280       8.673064  61.45047       6.743902  507.3830 36.58395 508.3674 28.31333 -0.9844055     46.26046 
1 1 1 18  2  18 o 101.5270 43.30032 0.4484925E-01  3.645766  1.904427       5.176026  -1.786073      5.135991  131.7278 53.47643 110.0994 49.04943 21.62841       72.56429 
1 1 1 18  2  19 o 640.0175 21.27345 96.96719       6.404706  96.07877       7.838660  98.75150       11.10880  636.0227 26.19991 640.7111 37.01600 -4.688416      45.34997 
1 1 1 18  2  20 o 416.2399 22.70425 41.23023       4.428703  49.17235       6.428984  34.05788       6.109488  452.6877 30.36671 375.0599 35.03431 77.62775       46.36313 
1 1 1 18  2  21 o 697.2623 19.08874 115.2009       6.260986  122.2222       8.729233  107.7620       8.985050  715.9664 25.91875 671.3483 28.45138 44.61810       38.48718 
1 1 1 18  2  22 o 127.1478 50.03733 2.606416       4.391539  -1.970274      7.943933  4.620641       5.270039  135.7006 60.68774 149.3773 55.79229 -13.67670      82.43653 
1 1 1 18  2  23 o 404.0152 23.94481 39.14743       4.530410  36.18696       6.356641  42.20356       6.458509  383.9149 35.60354 415.8835 33.29258 -31.96857      48.74431 
1 1 1 18  2  24 o 320.0610 29.00401 24.94887       4.319334  24.77064       6.490303  25.09057       5.786945  311.3524 45.67194 316.3567 39.76555 -5.004242      60.55762 
1 1 1 18  2  25 o 464.9931 22.57828 51.82995       4.938632  49.92895       7.175158  53.54132       6.807870  449.8461 34.16289 467.7535 31.11789 -17.90741      46.21067 
1 1 1 18  2  26 o 92.02007 44.81283 -9.626647      6.237336  -9.626647      6.237336  0.000000       0.000000  92.02007 44.81283 ?        ?        0.000000       44.81283 
1 1 1 18  2  27 o 416.3669 29.10193 42.52131       5.664055  45.10533       7.064731  37.87159       9.476782  424.5735 35.70462 373.5438 55.62973 51.02963       66.10209 
1 1 1 18  2  28 o 129.8213 48.07349 3.858978       3.896182  4.720867       5.497141  2.988957       5.523016  145.4262 56.33748 134.0448 54.92215 11.38139       78.67880 
1 1 1 18  2  29 o 145.8358 47.68568 5.658073       3.766852  1.930000       5.316049  9.417401       5.338287  124.8140 52.71846 181.4789 56.49326 -56.66491      77.27046 
1 1 1 18  2  30 o 147.1118 49.71687 5.889823       4.087423  10.51724       6.995942  3.491573       5.036444  185.1486 64.94916 131.1678 52.92452 53.98074       83.78185 
1 1 1 18  2  31 o 176.9826 46.94747 8.929399       3.972722  9.372771       6.686941  8.687543       4.938801  173.2994 63.17417 170.5872 54.50293 2.712189       83.43587 
1 1 1 18  2  32 o 93.50063 42.62601 -1.078732      4.145198  0.3293698      5.681794  -2.681035      6.060948  113.6126 51.03020 104.6885 49.03944 8.924026       70.77393 
1 1 1 18  2  33 o 142.6708 58.11948 6.096909       6.140069  6.096909       6.140069  0.000000       0.000000  142.6708 58.11948 ?        ?        0.000000       58.11948 
1 1 1 18  4  0  o 489.1001 13.85794 56.32833       3.188347  62.60405       6.687984  54.48256       3.627033  514.0105 27.76308 480.9278 16.03254 33.08273       32.05980 
1 1 1 18  4  1  o 214.5731 24.47271 11.00588       2.425977  9.016053       5.092602  11.58998       2.759165  191.6222 54.11717 219.8562 27.26400 -28.23407      60.59698 
1 1 1 18  4  2  o 646.4187 12.85747 98.36991       3.909659  97.28969       5.466724  99.50086       5.593646  642.5738 18.08568 649.8210 18.29919 -7.247253      25.72843 
1 1 1 18  4  3  o 93.47595 35.35640 1.479408       2.130598  -0.5257931     2.938783  3.701157       3.093400  87.62981 38.13316 128.8864 43.25258 -41.25659      57.66216 
1 1 1 18  4  4  o 251.6950 21.46672 15.04225       2.517318  10.59379       3.435092  20.20234       3.699663  208.5839 36.32990 291.2698 27.32137 -82.68591      45.45678 
1 1 1 18  4  5  o 1023.874 14.13935 246.8001       6.809967  241.0409       9.490845  252.9118       9.777024  1011.381 19.94899 1035.975 20.06264 -24.59412      28.29261 
1 1 1 18  4  6  f 1957.305 20.31710 902.7807       18.70637  900.5110       26.24365  905.1249       26.67115  1953.032 28.56575 1957.927 28.95849 -4.895264      40.67673 
1 1 1 18  4  7  o 152.1923 47.68366 5.450468       3.796287  0.000000       0.000000  5.450468       3.796287  ?        ?        152.1923 47.68366 0.000000       47.68366 
1 1 1 18  4  8  o 185.9969 33.07202 8.419784       2.787549  7.653222       3.937388  9.190098       3.947010  176.3887 46.71358 193.0020 44.39897 -16.61322      64.44708 
1 1 1 18  4  9  o 411.5680 17.43347 39.89768       3.375164  39.31615       4.832958  40.45131       4.715611  407.4518 25.34101 413.4184 24.35576 -5.966522      35.14783 
1 1 1 18  4  10 o 892.3355 17.11558 187.5554       7.184376  192.8369       8.923470  177.8240       12.11275  904.4815 20.97320 867.6086 29.67901 36.87292       36.34170 
1 1 1 18  4  11 o 893.8197 17.84577 188.2225       7.503339  195.1913       9.454903  176.3674       12.33190  909.8077 22.09216 863.8379 30.34788 45.96979       37.53741 
1 1 1 18  4  12 o 662.2166 18.19018 103.3372       5.666387  106.4555       7.051044  97.65161       9.521141  671.8149 22.31179 642.5345 31.50092 29.28033       38.60212 
1 1 1 18  4  13 o 526.5139 25.40247 65.46233       6.291513  0.000000       0.000000  65.46233       6.291513  ?        ?        526.5139 25.40247 0.000000       25.40247 
1 1 1 18  4  14 o 862.2279 16.05563 175.1656       6.512066  176.3036       9.352782  174.0947       9.072515  864.2237 23.00623 858.8658 22.45603 5.357849       32.14902 
1 1 1 18  4  15 o 396.3549 26.01300 37.29869       4.823109  20.22592       8.672128  44.94458       5.803467  283.0879 66.28993 434.8634 28.52853 -151.7755      72.16808 
1 1 1 18  4  16 o 691.2625 17.03744 112.6774       5.540086  104.6367       7.727600  121.1806       7.946725  665.2062 24.69557 716.0317 23.59319 -50.82550      34.15421 
1 1 1 18  4  17 o 654.0721 17.63892 100.9471       5.427090  108.3099       7.958714  94.54771       7.419728  676.4037 25.01311 631.9801 24.95832 44.42358       35.33515 
1 1 1 18  4  18 o 807.6984 17.24426 154.0120       6.551838  155.1416       9.353032  152.9237       9.180767  809.1068 24.57408 803.3710 24.29369 5.735840       34.55530 
1 1 1 18  4  19 o 741.5779 17.67777 129.9536       6.166713  124.0546       8.467896  136.6149       8.998353  722.8895 24.90201 758.5131 25.21916 -35.62354      35.44173 
1 1 1 18  4  20 o 420.9953 25.56154 42.32538       5.038173  36.70625       5.960156  56.39120       9.429871  389.9963 32.79274 480.3669 42.15770 -90.37057      53.41007 
1 1 1 18  4  21 o 190.8447 42.70256 9.223389       3.737776  8.347644       5.178949  10.17549       5.400006  181.4276 55.50703 198.4584 55.61409 -17.03087      78.57454 
1 1 1 18  4  22 o 146.8419 46.92697 5.302770       3.661069  3.178025       5.125308  7.516380       5.231390  137.4640 54.06926 173.0286 56.17773 -35.56456      77.97066 
1 1 1 18  4  23 o 314.1606 34.66485 24.28870       5.037525  28.15399       9.414636  22.73811       5.962942  322.8572 64.25008 300.1262 43.50475 22.73099       77.59341 
1 1 1 18  4  24 o 256.5012 34.19746 16.33294       4.023427  18.20105       5.837164  14.64204       5.553407  264.4453 48.71927 235.2613 51.60087 29.18394       70.96631 
1 1 1 18  4  25 o 254.9021 34.69460 16.23114       4.052026  18.83754       5.751831  13.66317       5.709267  268.7873 47.21407 224.5865 54.57705 44.20074       72.16525 
1 1 1 18  4  26 o 70.42719 34.45885 -6.797988      3.815486  -3.407584      5.400301  -10.17739      5.391535  102.1518 47.32290 81.42147 40.06465 20.73035       62.00510 
1 1 1 18  4  27 o 167.4393 46.72509 7.489837       3.820120  12.76832       5.283160  1.706097       5.530235  215.9504 52.51474 127.3280 53.77459 88.62242       75.16319 
1 1 1 18  4  28 o 272.7711 32.40879 18.65287       4.077065  21.32269       5.688166  15.83207       5.846787  285.0714 43.82077 239.0061 53.35519 46.06529       69.04372 
1 1 1 18  4  29 o 309.5367 29.49995 23.85802       4.243413  26.56387       6.089528  21.30383       5.916401  318.4698 41.64625 281.5102 46.28724 36.95963       62.26490 
1 1 1 18  4  30 o 136.9980 47.93201 4.929287       3.809032  4.295482       6.479791  5.263932       4.708423  143.4479 59.21347 142.6729 52.84447 0.7750092      79.36481 
1 1 1 18  4  31 o 108.6259 44.94503 1.861957       3.745913  3.100476       6.283981  1.179275       4.665442  133.2245 56.83415 111.9025 48.37003 21.32195       74.63096 
1 1 1 18  4  32 o 154.4386 58.75881 7.333532       5.906436  7.333532       5.906436  0.000000       0.000000  154.4386 58.75881 ?        ?        0.000000       58.75881 
1 1 1 18  4  33 o 98.26344 46.42288 -2.846611      5.639588  -2.846611      5.639588  0.000000       0.000000  98.26344 46.42288 ?        ?        0.000000       46.42288 
1 1 1 18  6  0  o 419.2011 17.32675 41.39467       3.416715  33.94769       5.834522  45.28133       4.215056  377.4279 33.20039 438.3091 20.44342 -60.88129      38.98973 
1 1 1 18  6  1  o 366.4277 16.75102 31.62428       2.887346  35.19620       6.137920  30.60925       3.271975  384.2124 34.32233 359.8933 19.39875 24.31906       39.42504 
1 1 1 18  6  2  o 854.9521 15.45326 172.1169       6.214856  166.6469       11.24023  174.5255       7.458664  840.1018 28.44291 860.7045 18.42204 -20.60266      33.88762 
1 1 1 18  6  3  o 557.4429 13.35156 73.14820       3.501078  74.71177       4.944206  71.57567       4.958369  563.1445 18.66412 551.1760 19.12402 11.96844       26.72223 
1 1 1 18  6  4  o 982.7042 13.71104 227.3313       6.338149  217.0748       8.710188  238.8742       9.240272  959.8751 19.29050 1006.900 19.50874 -47.02460      27.43564 
1 1 1 18  6  5  o 1130.849 14.57840 301.0696       7.755039  297.9888       10.98012  304.1360       10.95448  1124.492 20.75780 1136.059 20.49848 -11.56689      29.17317 
1 1 1 18  6  6  o 687.7476 15.18374 111.3649       4.912211  103.7753       7.708444  116.5544       6.374061  663.3321 24.70395 703.3667 19.26483 -40.03461      31.32760 
1 1 1 18  6  7  o 664.0782 14.19153 103.8192       4.433204  97.92081       6.077031  110.5288       6.481489  644.6432 20.04023 684.8834 20.11819 -40.24011      28.39635 
1 1 1 18  6  8  o 1306.787 16.07784 402.1427       9.883299  404.8340       14.00880  399.4757       13.94561  1310.354 22.72704 1301.646 22.77588 8.707642       32.17544 
1 1 1 18  6  9  o 1174.446 15.56200 324.8073       8.597414  324.4199       12.15042  325.1958       12.16676  1173.042 22.01955 1174.443 22.02285 -1.401367      31.14268 
1 1 1 18  6  10 o 335.0842 20.81435 26.56997       3.264625  30.53950       4.693358  22.84904       4.544016  358.5188 28.05298 309.2810 31.68033 49.23779       42.31564 
1 1 1 18  6  11 o 1135.134 22.51072 303.9200       12.02004  303.9200       12.02004  0.000000       0.000000  1135.134 22.51072 ?        ?        0.000000       22.51072 
1 1 1 18  6  12 o 1104.943 16.02052 287.6004       8.326952  309.9737       12.37606  269.0946       11.25569  1146.186 22.95397 1068.016 22.40397 78.17004       32.07526 
1 1 1 18  6  13 o 953.7864 15.77999 214.3152       7.079900  233.8002       10.50126  198.0780       9.586176  995.3708 22.42783 916.2047 22.24250 79.16614       31.58696 
1 1 1 18  6  14 o 355.2734 21.95603 29.90440       3.651339  28.63103       5.310510  31.04616       5.028564  345.9801 33.03120 360.9230 29.88722 -14.94296      44.54556 
1 1 1 18  6  15 o 712.6274 16.64666 119.7192       5.580319  117.4589       7.897760  121.9726       7.885780  705.0208 23.81402 718.5071 23.33159 -13.48627      33.33873 
1 1 1 18  6  16 o 222.3418 48.45552 12.33164       4.924795  0.000000       0.000000  12.33164       4.924795  ?        ?        222.3418 48.45552 0.000000       48.45552 
1 1 1 18  6  17 o 376.4693 23.19776 33.66570       4.088130  32.31955       5.819905  34.97690       5.743822  366.7259 34.12865 382.0405 32.26289 -15.31454      46.96444 
1 1 1 18  6  18 o 168.3807 43.83030 7.094861       3.505419  8.850554       4.805897  5.098883       5.124223  187.6565 52.42280 154.6215 55.44869 33.03493       76.30666 
1 1 1 18  6  19 o 137.2536 48.96078 4.035507       3.990218  6.918165       4.897154  -1.658740      6.882803  168.7721 54.30956 128.9940 57.15998 39.77814       78.84664 
1 1 1 18  6  20 o 264.3589 37.38177 17.18281       4.518973  21.13779       5.487850  8.852557       7.964518  292.5235 41.00848 194.2450 69.18453 98.27850       80.42509 
1 1 1 18  6  21 o 667.7848 18.77986 105.7232       5.899270  107.6628       8.266147  103.7099       8.421681  671.3783 26.17379 658.5413 27.18607 12.83704       37.73791 
1 1 1 18  6  22 o 141.9814 46.20418 4.914324       3.537999  5.970630       4.918513  3.781732       5.093021  157.9989 54.51289 141.2999 54.36971 16.69905       76.99169 
1 1 1 18  6  23 o 326.9670 30.30192 26.05628       4.607646  19.00416       6.751964  32.20274       6.303519  267.9126 55.40477 360.4958 37.73078 -92.58325      67.03208 
1 1 1 18  6  24 o 128.2726 46.77867 3.612573       3.666956  2.194502       5.036479  5.212313       5.349372  128.1214 52.46569 151.8648 56.31118 -23.74336      76.96491 
1 1 1 18  6  25 o 311.6317 29.89623 23.82644       4.328765  20.72164       5.886506  27.48252       6.387767  282.7655 45.82308 328.4571 42.32787 -45.69156      62.38111 
1 1 1 18  6  26 o 552.8201 24.52890 73.70827       6.378685  74.47517       7.839294  72.20571       10.97292  551.3433 30.34314 531.0575 44.33020 20.28577       53.72032 
1 1 1 18  6  27 o 337.3102 32.42491 28.28896       5.081512  25.92551       5.920690  34.89893       9.901441  318.1148 40.48293 352.1647 62.03627 -34.04993      74.07677 
1 1 1 18  6  28 o 170.6733 47.79902 7.928385       3.990241  9.726850       5.593076  6.064173       5.694394  185.1904 57.85476 155.5072 58.01213 29.68312       81.93034 
1 1 1 18  6  29 o 85.36739 39.91911 -2.993600      3.986233  7.140309       7.010335  -7.835869      4.845903  164.5400 63.65452 79.67931 38.95364 84.86069       74.62764 
1 1 1 18  6  30 o 156.0405 55.12424 6.844267       5.046322  0.000000       0.000000  6.844267       5.046322  ?        ?        156.0405 55.12424 0.000000       55.12424 
1 1 1 18  6  31 f 278.0000 32.75771 19.96787       4.201550  27.80024       7.612049  16.53615       5.038613  306.3878 54.82848 242.7990 45.79517 63.58884       71.43780 
1 1 1 18  6  32 o 220.6434 45.91522 14.06971       4.610494  15.71047       6.457172  12.36326       6.585157  217.3170 60.78508 189.0521 63.10859 28.26483       87.62147 
1 1 1 18  8  0  o 872.2402 14.94381 179.1277       6.131502  0.000000       0.000000  179.1277       6.131502  ?        ?        872.2402 14.94381 0.000000       14.94381 
1 1 1 18  8  1  o 1169.433 16.78880 322.0714       9.235579  316.2902       16.31509  324.7975       11.20343  1157.254 29.97033 1174.022 20.28641 -16.76868      36.19060 
1 1 1 18  8  2  o 1084.351 16.46042 276.8939       8.396145  296.4923       16.06030  269.5229       9.849287  1120.398 30.47276 1069.548 19.57651 50.85022       36.21918 
1 1 1 18  8  3  o 518.1617 16.41435 63.22628       4.000906  72.11653       8.158141  60.41097       4.590897  551.5997 31.57223 506.3777 19.27319 45.22192       36.99002 
1 1 1 18  8  4  o 778.1429 13.20537 142.5281       4.833696  157.7566       7.238086  130.2695       6.494040  818.3276 18.80301 743.6412 18.56446 74.68646       26.42332 
1 1 1 18  8  5  o 839.6063 15.08055 165.9751       5.956103  162.0987       9.573024  168.4235       7.607962  829.0323 24.54756 845.5084 19.12851 -16.47607      31.12045 
1 1 1 18  8  6  o 1767.898 18.79505 736.3312       15.63040  703.4247       21.15556  775.8857       23.19430  1726.629 26.04691 1813.122 27.19474 -86.49280      37.65628 
1 1 1 18  8  7  o 224.0144 25.45705 11.99148       2.634943  12.75706       3.685578  11.19105       3.768553  229.5926 35.25220 214.1029 38.84892 15.48973       52.45909 
1 1 1 18  8  8  o 302.7432 20.83560 21.70597       2.949154  19.51083       4.069479  24.13404       4.279943  285.7060 30.76466 318.3658 28.89338 -32.65982      42.20535 
1 1 1 18  8  9  o 951.7171 14.65508 213.2793       6.560929  218.3473       9.390218  208.4455       9.170783  962.4100 20.74179 940.3356 20.73262 22.07440       29.32684 
1 1 1 18  8  10 o 403.5577 20.61642 38.49582       3.900645  38.07630       4.813269  39.29846       6.657699  400.7993 25.66441 405.8495 35.22233 -5.050262      43.58067 
1 1 1 18  8  11 o 664.5455 15.38971 104.0181       4.810881  103.5714       6.753197  104.4785       6.855175  662.6527 21.66477 665.5279 21.89692 -2.875183      30.80320 
1 1 1 18  8  12 o 696.3212 18.66220 114.3009       6.112822  110.1176       7.250392  124.5838       11.36734  683.1005 22.56355 725.1618 33.32380 -42.06128      40.24413 
1 1 1 18  8  13 o 1045.385 16.08914 257.5168       7.911856  254.3238       11.14292  260.7632       11.23577  1037.900 22.82306 1050.975 22.72696 -13.07422      32.20880 
1 1 1 18  8  14 o 209.4589 35.06575 10.69650       3.332896  12.26889       4.677409  9.074718       4.750291  222.4956 46.20160 191.1409 51.61969 31.35468       69.27612 
1 1 1 18  8  15 o 824.7532 18.28199 160.4899       7.092786  182.5208       12.47284  149.9609       8.622676  877.1663 30.22833 796.5123 23.01337 80.65399       37.99167 
1 1 1 18  8  16 o 95.90097 40.80613 0.7185583E-01  3.224251  -5.984092      4.436741  6.849470       4.693658  83.47793 39.92905 168.6375 53.05082 -85.15952      66.39818 
1 1 1 18  8  17 o 179.1762 50.38638 8.023572       4.424459  24.87515       9.342204  3.150910       5.023567  311.3074 65.85201 138.8037 53.83269 172.5037       85.05553 
1 1 1 18  8  18 o 128.2760 45.28596 3.543984       3.405241  4.580392       4.750150  2.448292       4.884120  147.4976 53.32479 131.9950 52.50638 15.50261       74.83617 
1 1 1 18  8  19 o 383.4168 22.77997 35.02063       4.090134  31.81785       5.715961  38.38134       5.855197  362.5670 33.90815 399.2381 31.43163 -36.67111      46.23537 
1 1 1 18  8  20 o 678.4078 18.46910 109.0296       5.893942  112.5163       8.319496  105.5162       8.351178  686.8516 25.74926 664.7950 26.70489 22.05652       37.09684 
1 1 1 18  8  21 o 428.6911 26.48494 44.12958       5.314720  44.51806       6.454476  43.31154       9.366171  428.4793 32.25969 414.7023 48.95675 13.77698       58.62978 
1 1 1 18  8  22 o 382.9320 25.71240 35.28846       4.604756  28.28478       7.153712  40.24327       6.017022  333.8666 46.83891 406.7245 31.69971 -72.85791      56.55754 
1 1 1 18  8  23 o 323.9608 27.19972 25.44366       4.106653  30.46980       6.065310  21.18917       5.580323  350.3236 37.38296 289.3597 42.24190 60.96393       56.40801 
1 1 1 18  8  24 o 109.5764 46.81395 0.5055649      4.274755  -2.220868      7.771535  1.688322       5.118670  130.2352 58.97766 125.3873 52.26323 4.847954       78.80235 
1 1 1 18  8  25 o 173.1170 49.61910 7.965052       4.249035  5.206329       5.162652  13.75743       7.480789  149.8610 55.36894 219.7749 66.59959 -69.91393      86.60961 
1 1 1 18  8  26 o 84.62169 39.25911 -2.684954      3.736586  -5.058867      4.994956  0.3316315      5.630630  91.24563 43.27929 121.1645 52.75492 -29.91884      68.23620 
1 1 1 18  8  27 o 348.7331 28.62159 29.90536       4.653821  30.89474       6.447608  28.82931       6.724088  347.4031 40.19687 332.8593 44.02438 14.54379       59.61489 
1 1 1 18  8  28 f 313.3999 40.32777 25.44092       5.807343  25.30618       7.526710  25.63912       9.128874  301.2471 55.14676 291.5721 67.83518 9.674988       87.42297 
1 1 1 18  8  29 o 195.1036 44.00047 10.34775       3.941956  18.25505       6.826917  6.392798       4.828156  248.7837 59.19415 153.4518 53.94909 95.33192       80.09027 
1 1 1 18  8  30 o 148.0119 48.96826 6.106785       3.967915  6.004756       6.692616  6.162088       4.927305  152.7270 61.22468 149.4638 54.26790 3.263214       81.81361 
1 1 1 18  8  31 o 126.2607 49.70903 3.792423       4.335798  4.414388       6.219926  3.204519       6.047209  138.5431 57.66779 131.1011 55.83637 7.442047       80.27001 
1 1 1 18  8  32 o 149.4156 50.17467 6.771440       4.162783  0.6352557      5.798650  13.29667       5.979649  114.2408 51.41072 199.2028 59.35992 -84.96202      78.52809 
1 1 1 18  10 0  o 788.8417 12.46125 146.4683       4.624031  161.2664       10.90496  143.2243       5.105770  826.4783 28.04938 779.9852 13.91572 46.49310       31.31158 
1 1 1 18  10 1  o 141.1018 34.60060 4.896700       2.279029  12.69025       5.739637  3.437951       2.483173  226.2278 54.56615 121.6111 38.62473 104.6167       66.85308 
1 1 1 18  10 2  o 1619.646 20.21945 618.1956       15.40489  624.2569       27.80316  615.5104       18.50504  1624.028 36.39413 1615.416 24.35210 8.612305       43.78992 
1 1 1 18  10 3  o 1025.727 16.50252 247.7823       7.962535  233.5018       14.18615  254.3507       9.621009  994.1873 30.33381 1038.946 19.68603 -44.75903      36.16185 
1 1 1 18  10 4  o 338.2952 24.33018 27.13319       3.845920  0.000000       0.000000  27.13319       3.845920  ?        ?        338.2952 24.33018 0.000000       24.33018 
1 1 1 18  10 5  o 1225.149 15.09274 353.4337       8.698140  351.6727       12.23893  355.2309       12.36408  1221.409 21.30164 1227.558 21.41166 -6.149048      30.20296 
1 1 1 18  10 6  o 256.3654 22.12391 15.61124       2.641896  12.48191       3.516773  19.66492       4.002608  227.2481 33.93842 286.9371 30.10272 -59.68898      45.36508 
1 1 1 18  10 7  o 637.1600 15.83973 95.61205       4.747506  87.90131       7.280831  101.3154       6.261785  610.2954 25.36130 655.6088 20.30412 -45.31342      32.48773 
1 1 1 18  10 8  o 516.2807 17.23841 62.79509       4.186512  69.90215       5.347893  51.54578       6.728230  544.5046 20.87910 465.9048 30.87468 78.59979       37.27174 
1 1 1 18  10 9  o 714.7851 16.70594 120.3648       5.617147  123.6169       7.064449  114.7741       9.262486  724.0574 20.74130 696.9310 28.25325 27.12634       35.04922 
1 1 1 18  10 10 o 468.3129 16.84880 51.67524       3.711714  52.04757       5.172036  51.27983       5.329831  469.6094 23.41291 465.4293 24.42929 4.180176       33.83718 
1 1 1 18  10 11 o 1027.235 15.43542 248.5881       7.458606  249.6584       10.62769  247.5494       10.47020  1028.594 21.96471 1024.276 21.73046 4.318237       30.89759 
1 1 1 18  10 12 o 1147.900 16.06893 310.5145       8.676814  323.7591       12.65204  298.7539       11.92220  1170.953 22.96950 1124.909 22.53043 46.04382       32.17481 
1 1 1 18  10 13 o 410.5798 22.94583 39.94639       4.413971  37.12807       5.174777  47.47325       8.456746  395.0422 28.02898 444.3668 40.91652 -49.32455      49.59622 
1 1 1 18  10 14 o 845.4314 17.83296 168.6220       7.092039  171.9679       11.59936  166.6245       8.962411  851.6696 28.95301 839.6216 22.69196 12.04797       36.78589 
1 1 1 18  10 15 o 584.4655 17.50356 80.61938       4.812322  86.42155       6.893065  75.10246       6.721481  604.1859 24.25340 563.0570 25.37718 41.12885       35.10311 
1 1 1 18  10 16 o 718.6362 16.57557 121.9012       5.603338  114.4301       7.678815  130.4105       8.194978  695.0190 23.48704 741.9655 23.47982 -46.94641      33.21059 
1 1 1 18  10 17 o 498.0621 19.08109 58.66822       4.470500  55.41639       6.290523  61.98647       6.354446  481.7852 27.87556 509.9655 26.58115 -28.18021      38.51759 
1 1 1 18  10 18 o 355.7648 23.77440 30.19518       3.955799  34.16188       5.552213  26.10576       5.637451  376.5485 31.63881 327.2186 37.29091 49.32996       48.90425 
1 1 1 18  10 19 o 399.0341 21.48094 37.90953       4.017264  35.79214       5.541995  40.25399       5.831600  385.2147 30.84264 408.7491 30.55010 -23.53448      43.41171 
1 1 1 18  10 20 o 119.6384 44.60488 2.806697       3.365492  0.4807075      4.762015  5.127827       4.757037  116.4654 49.57470 150.5466 53.48463 -34.08124      72.92638 
1 1 1 18  10 21 o 553.8289 28.55493 73.92004       7.413877  73.92004       7.413877  0.000000       0.000000  553.8289 28.55493 ?        ?        0.000000       28.55493 
1 1 1 18  10 22 o 565.3589 23.35661 76.44318       6.211598  74.46610       7.436867  81.00476       11.29629  555.0440 28.58051 569.9193 42.44010 -14.87531      51.16647 
1 1 1 18  10 23 f 253.6134 33.59428 15.95146       3.909167  15.67623       5.611295  16.21100       5.449068  244.0114 50.54830 249.3705 48.19633 -5.359192      69.84280 
1 1 1 18  10 24 o 163.7882 46.40061 7.022102       3.737806  4.645231       5.338058  9.308559       5.235544  147.0076 55.87725 186.0486 55.56749 -39.04103      78.80363 
1 1 1 18  10 25 o 419.4438 28.78794 42.94951       5.645690  47.59216       11.04224  41.30634       6.569237  420.3680 57.33720 408.0621 34.54750 12.30585       66.94090 
1 1 1 18  10 26 o 147.9765 47.66304 5.672361       3.771172  3.629999       5.114953  8.104814       5.582098  136.6870 53.93460 173.4434 58.10273 -36.75642      79.27716 
1 1 1 18  10 27 f 204.1487 40.59143 10.90867       3.760819  9.356051       5.333112  12.44450       5.304210  182.8421 56.39176 211.5397 53.32092 -28.69753      77.60896 
1 1 1 18  10 28 o 212.6604 54.26242 12.86006       5.445996  10.66290       7.565548  15.22295       7.845693  189.2317 67.42617 221.2980 68.42168 -32.06628      96.06152 
1 1 1 18  10 29 o 118.9525 45.99218 3.044513       3.658111  6.947087       6.468320  1.209369       4.435585  160.0036 61.34298 111.7797 47.71910 48.22391       77.71791 
1 1 1 18  10 30 o 117.8136 47.42771 2.766069       4.034573  4.982164       5.769759  0.6456600      5.643822  142.1553 56.89638 117.0352 51.81543 25.12010       76.95477 
1 1 1 18  10 31 o 83.72148 38.96523 -2.139541      3.727124  6.016647       5.193274  -10.80262      5.352217  144.8166 55.09752 76.32682 37.97081 68.48980       66.91426 
1 1 1 18  12 0  o 1068.879 15.79915 269.0761       7.943862  263.9418       14.70377  271.1924       9.440145  1056.872 29.57582 1072.788 18.70663 -15.91541      34.99525 
1 1 1 18  12 1  o 483.2237 13.17290 54.97121       2.994326  68.60880       7.710428  52.54920       3.249358  537.9019 30.59883 472.4080 14.62214 65.49390       33.91306 
1 1 1 18  12 2  o 306.1586 21.59997 22.20997       3.090822  27.30381       6.429627  20.67908       3.524808  336.7129 41.46997 294.8936 25.66571 41.81927       48.76974 
1 1 1 18  12 3  o 747.5995 18.38699 131.6931       6.466197  0.000000       0.000000  131.6931       6.466197  ?        ?        747.5995 18.38699 0.000000       18.38699 
1 1 1 18  12 4  o 1229.450 17.77242 356.1286       10.27843  325.2081       17.47861  372.4736       12.70795  1172.675 31.68545 1256.848 21.49431 -84.17310      38.28802 
1 1 1 18  12 5  o 499.4097 17.77044 58.76473       4.174693  56.48038       8.372698  59.52055       4.816059  486.8415 36.83275 502.4722 20.37560 -15.63074      42.09295 
1 1 1 18  12 6  o 383.1407 16.98060 34.58413       3.060417  34.00373       4.313244  35.17259       4.343076  378.8078 24.33436 385.3189 24.08193 -6.511139      34.23595 
1 1 1 18  12 7  o 567.2133 14.15272 75.76251       3.776206  76.36189       5.250243  75.12013       5.435287  569.1379 19.61068 564.4331 20.47108 4.704834       28.34861 
1 1 1 18  12 8  o 687.5876 14.36602 111.3431       4.646585  110.9169       6.318593  111.8449       6.856889  685.8859 19.58390 688.6085 21.16827 -2.722595      28.83791 
1 1 1 18  12 9  o 1440.266 17.09168 488.8575       11.57968  492.1761       16.21071  485.3999       16.54675  1443.793 23.86865 1433.664 24.53556 10.12939       34.23019 
1 1 1 18  12 10 o 578.8251 15.56485 78.94112       4.238006  87.33308       6.082115  71.02130       5.908543  608.3493 21.25359 548.4572 22.90173 59.89209       31.24427 
1 1 1 18  12 11 o 757.4082 15.06814 135.1738       5.368576  129.1168       7.307161  142.2781       7.913685  739.6082 21.00282 776.3002 21.67104 -36.69202      30.17868 
1 1 1 18  12 12 o 129.2719 41.71904 3.885949       2.888166  3.961757       3.949310  3.798794       4.234559  137.4184 48.74218 138.1489 50.28584 -0.7305145     70.03189 
1 1 1 18  12 13 o 501.2369 18.99639 59.31082       4.479025  52.70512       6.546648  65.12395       6.141356  470.3275 29.74349 524.5318 24.88990 -54.20435      38.78379 
1 1 1 18  12 14 o 157.4059 49.85583 5.932386       4.139410  6.028538       4.782139  5.645066       8.266587  161.1779 53.77904 179.0920 69.16800 -17.91417      87.61504 
1 1 1 18  12 15 o 271.1097 30.32215 17.71136       3.800775  14.80555       4.741180  22.93698       6.358027  244.5774 42.76711 304.9237 45.73700 -60.34628      62.61708 
1 1 1 18  12 16 o 721.1969 23.28198 123.3642       7.898472  0.000000       0.000000  123.3642       7.898472  ?        ?        721.1969 23.28198 0.000000       23.28198 
1 1 1 18  12 17 o 402.8824 22.40502 38.63290       4.229347  41.42241       5.416301  34.27468       6.770072  415.9097 27.84519 374.8622 38.96228 41.04752       47.88960 
1 1 1 18  12 18 o 449.1307 25.07512 48.19410       5.276522  32.01546       10.09223  54.28021       6.189928  350.6271 63.52797 475.9091 27.77041 -125.2820      69.33253 
1 1 1 18  12 19 f 321.7297 24.75582 24.83173       3.717840  31.27643       5.468888  19.29408       5.069443  358.8306 32.76094 278.8484 39.77484 79.98218       51.52977 
1 1 1 18  12 20 o 234.1227 34.03845 13.53579       3.638918  16.83871       5.061365  10.00174       5.235464  258.2901 43.18171 195.4450 54.75692 62.84505       69.73508 
1 1 1 18  12 21 o 117.3265 44.39952 2.643340       3.360918  5.492046       4.812199  -0.6950137E-01 4.696042  152.6548 53.84082 111.6327 48.39053 41.02211       72.39114 
1 1 1 18  12 22 o 466.9597 21.49059 52.06493       4.720598  46.11151       6.326998  59.54042       7.089801  434.8918 31.13363 494.7082 30.61648 -59.81647      43.66545 
1 1 1 18  12 23 o 355.6783 42.31343 31.99540       6.940614  46.10583       10.76561  21.95898       9.079418  417.4449 56.25653 277.6656 69.63689 139.7793       89.52147 
1 1 1 18  12 24 o 200.5954 41.81020 10.41568       3.817318  8.413826       5.335947  12.51423       5.463311  177.6402 56.64092 214.9576 54.07751 -37.31735      78.31073 
1 1 1 18  12 25 o 218.1149 37.60751 12.13259       3.719242  14.19807       5.151033  9.882957       5.375767  230.7602 48.96898 189.8054 56.21985 40.95486       74.55624 
1 1 1 18  12 26 o 234.7055 45.54533 14.58551       4.847098  11.58145       9.308368  15.70311       5.677590  200.3660 74.28415 240.0577 51.79845 -39.69168      90.56055 
1 1 1 18  12 27 o 100.4901 43.28995 0.3723435      3.711450  1.368014       6.153479  -0.1969789     4.653095  128.8514 55.62368 107.3589 47.31361 21.49244       73.02446 
1 1 1 18  12 28 o 338.0872 27.72200 28.31831       4.370038  44.14388       8.518706  22.66620       5.090954  406.6720 45.30061 296.2122 37.36799 110.4597       58.72403 
1 1 1 18  12 29 o 117.0014 52.12442 0.1736326      5.800180  0.1736326      5.800180  0.000000       0.000000  117.0014 52.12442 ?        ?        0.000000       52.12442 
1 1 1 18  12 30 o 123.1904 48.41072 3.508787       4.105164  2.387039       5.542371  4.872177       6.110237  124.2634 53.20230 141.2902 57.81531 -17.02682      78.56905 
1 1 1 18  14 0  o 679.4424 15.59115 108.7426       4.983107  0.000000       0.000000  108.7426       4.983107  ?        ?        679.4424 15.59115 0.000000       15.59115 
1 1 1 18  14 1  o 910.5388 13.01898 195.2047       5.576283  196.1058       12.80005  194.9936       6.195055  910.6093 29.88205 909.9341 14.47324 0.6751099      33.20258 
1 1 1 18  14 2  o 1056.050 19.30437 262.9109       9.589796  0.000000       0.000000  262.9109       9.589796  ?        ?        1056.050 19.30437 0.000000       19.30437 
1 1 1 18  14 3  o 1169.561 17.32037 322.3298       9.529046  295.1249       16.36239  336.2921       11.72199  1116.780 31.14653 1194.118 20.86820 -77.33740      37.49118 
1 1 1 18  14 4  o 679.6859 16.18910 108.8387       5.176073  115.4578       10.23295  106.5629       6.000294  698.4713 31.14462 672.3321 18.97227 26.13916       36.46827 
1 1 1 18  14 5  o 507.2224 17.54523 60.63407       4.186266  62.81213       8.308427  59.89297       4.846413  513.6180 34.58959 503.9305 20.44469 9.687500       40.17991 
1 1 1 18  14 6  o 480.4754 18.57726 54.42639       4.198771  56.83710       8.462769  53.63918       4.835963  487.9006 37.15252 476.7924 21.56177 11.10815       42.95602 
1 1 1 18  14 7  f 302.7658 24.84628 21.80035       3.507455  17.35137       6.790452  23.41927       4.096199  263.7860 56.43084 313.4199 28.08112 -49.63382      63.03165 
1 1 1 18  14 8  o 730.7090 15.42756 125.8135       5.302870  128.7117       6.569167  120.3924       8.984436  738.7369 18.90389 713.4758 26.76962 25.26117       32.77148 
1 1 1 18  14 9  o 354.7037 18.16933 29.75101       3.021438  32.30370       4.000340  26.36071       4.610177  369.0533 23.16037 332.2351 29.81606 36.81818       37.75447 
1 1 1 18  14 10 o 284.4934 21.01221 19.21696       2.792088  21.12217       3.763816  16.88552       4.163599  297.4436 27.20128 264.3745 34.28704 33.06906       43.76655 
1 1 1 18  14 11 o 449.5375 16.93421 47.67070       3.580966  44.41627       4.773813  51.85820       5.415090  432.6981 23.54227 467.4486 24.71431 -34.75052      34.13262 
1 1 1 18  14 12 o 352.6800 20.13496 29.48606       3.326567  27.15385       4.489165  32.32634       4.954071  337.0202 28.58607 367.8712 28.85998 -30.85098      40.62095 
1 1 1 18  14 13 o 876.6813 15.61019 181.3387       6.437531  196.6523       9.390037  167.7584       8.842685  911.5620 21.89837 841.8320 22.33003 69.72992       31.27569 
1 1 1 18  14 14 o 407.0370 19.48483 39.18390       3.730781  38.02263       5.079145  40.54457       5.497948  399.0189 27.22253 411.7915 28.55920 -12.77258      39.45496 
1 1 1 18  14 15 o 296.8205 30.16653 21.23740       4.153468  21.58917       4.704486  19.99406       8.844506  298.2986 34.14165 276.0055 68.45525 22.29306       76.49689 
1 1 1 18  14 16 o 396.5792 22.30962 37.44694       4.144990  38.01431       5.134459  36.38526       7.023543  398.3191 27.57236 386.0405 39.22181 12.27859       47.94357 
1 1 1 18  14 17 o 284.1899 32.80419 19.66059       4.304824  20.38797       5.016228  17.62782       8.385752  287.8653 37.97075 256.8816 68.24036 30.98370       78.09306 
1 1 1 18  14 18 o 305.9503 25.35462 22.49518       3.616145  25.63638       5.031224  19.13841       5.201005  324.3153 33.45964 277.1457 41.14313 47.16962       53.03117 
1 1 1 18  14 19 o 241.8239 40.69853 14.69315       4.465219  3.802022       8.952300  18.29995       5.151805  167.5620 69.41835 270.0031 41.92175 -102.4411      81.09464 
1 1 1 18  14 20 o 267.5599 32.48751 17.58508       4.005025  28.18074       6.293936  10.37539       5.191782  336.0426 40.64208 198.2480 54.14393 137.7945       67.70039 
1 1 1 18  14 21 o 150.8463 43.47430 5.822248       3.253726  4.306298       4.601122  7.338648       4.601806  141.0453 52.23941 168.5282 52.45008 -27.48282      74.02679 
1 1 1 18  14 22 o 128.3455 46.60090 3.630315       3.633410  2.920452       4.467182  5.017836       6.245484  128.6137 50.51352 155.5752 60.11096 -26.96150      78.51714 
1 1 1 18  14 23 o 324.8536 37.65064 26.40458       5.646799  26.40458       5.646799  0.000000       0.000000  324.8536 37.65064 ?        ?        0.000000       37.65064 
1 1 1 18  14 24 o 342.9456 25.19937 28.51388       4.036751  30.99857       5.730370  26.06620       5.687528  352.9253 34.97741 321.6018 38.35194 31.32349       51.90656 
1 1 1 18  14 25 o 170.7482 44.83110 7.745418       3.646791  6.862626       4.845221  8.899023       5.538763  161.4945 54.13190 180.1163 57.73662 -18.62183      79.14404 
1 1 1 18  14 26 o 363.0299 26.36089 32.24584       4.470944  35.40429       7.252869  30.31005       5.678086  369.5718 42.49301 346.6700 35.31202 22.90179       55.25029 
1 1 1 18  14 27 o 132.5719 45.85417 4.460732       3.481158  1.501784       6.117761  5.877561       4.233336  128.3224 55.42854 148.6061 50.59465 -20.28377      75.04759 
1 1 1 18  14 28 o 231.3287 57.01885 15.81451       6.164946  15.81451       6.164946  0.000000       0.000000  231.3287 57.01885 ?        ?        0.000000       57.01885 
1 1 1 18  14 29 o 234.8520 39.11970 14.77215       4.169715  15.26754       5.696463  14.20036       6.120029  226.5732 54.17939 213.8102 58.94748 12.76300       80.06380 
1 1 1 18  16 0  o 505.8299 13.41155 60.26341       3.191192  55.38493       5.867566  62.31257       3.802797  483.3233 25.90204 514.2241 15.72105 -30.90076      30.29962 
1 1 1 18  16 1  f 338.6933 15.07289 27.02802       2.401444  0.000000       0.000000  27.02802       2.401444  ?        ?        338.6933 15.07289 0.000000       15.07289 
1 1 1 18  16 2  f 725.4970 15.33446 124.0238       5.233274  122.6219       10.32030  124.5090       6.071818  719.4454 30.49474 726.6879 17.76239 -7.242493      35.29068 
1 1 1 18  16 3  o 948.2970 16.14056 211.9451       7.199998  210.4935       13.73017  212.4956       8.455896  942.4453 30.97065 949.1597 18.93874 -6.714478      36.30230 
1 1 1 18  16 4  o 595.3314 16.28628 83.54017       4.560893  91.08205       9.475850  81.26615       5.203254  618.7668 32.67112 586.9582 18.84511 31.80859       37.71658 
1 1 1 18  16 5  o 471.5109 15.65603 52.39901       3.472504  45.89774       8.032743  53.89318       3.850923  437.1618 39.48809 478.0891 17.12327 -40.92728      43.04086 
1 1 1 18  16 6  o 258.8626 25.03180 15.99442       3.010060  21.26932       7.159719  14.86191       3.317486  292.6123 54.00521 248.8124 28.88168 43.79991       61.24308 
1 1 1 18  16 7  o 597.0990 20.71974 84.19949       5.819692  94.26279       10.11593  79.22117       7.115037  628.6309 34.33897 578.4788 26.14691 50.15210       43.16047 
1 1 1 18  16 8  o 696.9703 17.50508 114.6119       5.739150  113.8526       11.09061  114.8896       6.706993  691.6407 34.08832 697.4169 20.44401 -5.776123      39.74885 
1 1 1 18  16 9  o 398.6647 22.21502 37.70104       4.149489  31.71819       8.232181  39.73888       4.804482  359.0969 50.09870 408.8609 25.10194 -49.76401      56.03558 
1 1 1 18  16 10 o 264.4053 21.62974 16.64460       2.666687  19.27008       3.474116  12.87909       4.160559  283.8614 26.31699 228.6139 40.15340 55.24753       48.00916 
1 1 1 18  16 11 o 354.4877 34.80774 30.30526       5.729391  33.32343       8.540936  27.83591       7.725461  367.0384 50.83263 335.0041 50.60052 32.03430       71.72426 
1 1 1 18  16 12 o 765.6537 15.20845 138.3469       5.477554  139.5113       7.596912  137.0861       7.905141  767.6890 21.03694 760.7364 22.09053 6.952576       30.50482 
1 1 1 18  16 13 o 369.0375 19.33879 32.31149       3.345458  32.70862       4.427815  31.78318       5.106907  370.1123 25.58947 363.7617 30.11587 6.350647       39.51945 
1 1 1 18  16 14 f 207.5643 30.71843 10.51397       2.908730  7.272889       3.733007  15.52286       4.640711  169.7901 45.72050 250.2615 40.82839 -80.47141      61.29700 
1 1 1 18  16 15 o 286.2966 25.33986 19.66991       3.377383  15.71642       4.018015  29.18847       6.234574  253.3379 34.62283 345.0938 39.09591 -91.75587      52.22289 
1 1 1 18  16 16 o 271.8685 29.28875 17.90427       3.686540  16.70599       4.176500  22.13139       7.844336  260.9199 34.90260 291.3311 59.25739 -30.41129      68.77230 
1 1 1 18  16 17 o 314.7822 22.71409 23.71624       3.340780  23.67251       4.490672  23.77045       4.999304  312.1909 30.98833 311.6155 34.69425 0.5753784      46.51846 
1 1 1 18  16 18 o 307.7072 24.10945 22.74767       3.461833  28.41683       4.790001  16.54859       5.008872  342.2574 30.05625 255.9638 43.13340 86.29362       52.57250 
1 1 1 18  16 19 o 310.7766 26.29202 23.32612       3.807578  18.92687       5.547787  27.24366       5.235250  272.9034 44.76852 333.2989 33.86158 -60.39545      56.13223 
1 1 1 18  16 20 o 86.47611 40.26093 -3.228335      3.984510  -7.268134      8.647511  -2.139477      4.489489  122.7983 57.85275 98.16060 44.59950 24.63768       73.04831 
1 1 1 18  16 21 o 242.3922 31.46827 14.48348       3.503415  14.16084       4.811297  14.84763       5.111470  234.2318 45.30477 239.1868 47.10585 -4.955032      65.35658 
1 1 1 18  16 22 o 183.8164 44.17313 8.809768       3.772081  11.54003       4.705436  3.900119       6.309910  209.0739 48.74292 148.3309 59.45332 60.74301       76.88023 
1 1 1 18  16 23 o 220.0009 34.44771 12.15648       3.447968  10.85389       4.547378  13.91821       5.288420  202.0345 48.46942 228.3291 50.57050 -26.29468      70.04756 
1 1 1 18  16 24 f 211.5909 42.80099 11.70158       4.113765  10.60613       4.720937  15.15755       8.385242  197.9200 50.53217 226.1550 70.86935 -28.23500      87.04002 
1 1 1 18  16 25 o 151.5330 45.39754 6.086875       3.490546  9.738407       5.698946  3.894612       4.415738  186.0856 58.44313 133.4106 50.79430 52.67497       77.43165 
1 1 1 18  16 26 o 272.7841 30.13847 18.58086       3.802723  23.11237       6.312228  15.99931       4.764326  293.1413 47.39309 245.9547 42.72966 47.18658       63.81166 
1 1 1 18  16 27 o 144.8445 49.58821 5.632400       4.066811  0.000000       0.000000  5.632400       4.066811  ?        ?        144.8445 49.58821 0.000000       49.58821 
1 1 1 18  16 28 o 172.4031 46.59425 8.412313       3.868671  8.582046       5.343434  8.225327       5.608436  169.4936 56.84673 166.2437 58.16211 3.249817       81.32885 
1 1 1 18  18 0  o 399.3405 15.63791 37.60585       2.937592  31.06421       8.844123  38.41705       3.114409  354.0352 54.88185 403.5720 16.40535 -49.53674      57.28135 
1 1 1 18  18 1  o 320.7244 14.48275 24.24767       2.185005  35.01784       6.998102  23.08431       2.299988  380.7338 39.65610 312.8788 15.62716 67.85498       42.62410 
1 1 1 18  18 2  o 430.5937 17.38576 43.74982       3.521524  43.13318       7.484419  43.92515       3.990882  423.3620 37.98587 431.2608 19.67250 -7.898804      42.77772 
1 1 1 18  18 3  o 229.1430 27.90322 12.63329       2.945571  16.59334       6.617408  11.65479       3.289419  256.5254 56.37700 218.9662 32.95687 37.55920       65.30330 
1 1 1 18  18 4  o 123.4767 47.59029 2.486985       3.907125  0.8659335      6.128719  3.596909       5.071282  135.0225 56.79437 142.9282 54.43035 -7.905655      78.66552 
1 1 1 18  18 5  o 582.9256 13.54756 80.09161       3.714870  89.38764       9.764987  78.51858       4.016898  611.4700 34.08457 577.0547 14.79805 34.41528       37.15831 
1 1 1 18  18 6  o 207.3297 31.21049 10.44909       2.949546  17.21463       6.786407  8.873450       3.275049  260.7680 56.92196 189.3279 38.09274 71.44014       68.49209 
1 1 1 18  18 7  o 662.1818 14.75117 103.4191       4.594868  113.4364       10.91083  101.2595       5.066002  689.5033 33.63969 655.0113 16.44172 34.49200       37.44275 
1 1 1 18  18 8  o 373.7677 19.74832 33.12248       3.459849  47.05708       8.390517  30.26771       3.797756  440.5468 40.95705 356.7739 22.74752 83.77295       46.85008 
1 1 1 18  18 9  o 736.4307 17.70851 128.1349       6.134557  120.7491       11.64836  130.9696       7.216405  710.2973 34.86224 743.9347 20.62134 -33.63739      40.50451 
1 1 1 18  18 10 o 369.0015 23.06668 32.41251       3.983801  24.87218       7.988713  34.90830       4.596055  313.4754 56.24217 382.4613 25.69551 -68.98590      61.83398 
1 1 1 18  18 11 o 531.6074 16.55592 66.77450       4.140125  60.07729       5.653610  74.51901       6.079616  503.0009 23.89394 560.3866 23.06317 -57.38565      33.20889 
1 1 1 18  18 12 o 563.2159 15.22980 74.92278       4.034954  75.30642       5.329241  74.40744       6.176656  563.7809 20.09489 559.6668 23.46143 4.114136       30.89083 
1 1 1 18  18 13 o 300.9854 21.62968 21.61213       3.042000  22.72691       4.008169  20.09768       4.671743  307.2533 28.04088 286.7885 35.37970 20.46478       45.14437 
1 1 1 18  18 14 o 593.1901 17.40080 83.30148       4.855482  82.14283       5.889137  85.76100       8.580263  588.1040 21.28768 597.0900 30.65192 -8.985962      37.31897 
1 1 1 18  18 15 o 157.1475 36.58059 6.218692       2.653499  5.894765       3.426419  6.704041       4.194145  153.0518 44.75907 163.2307 49.95350 -10.17896      67.07255 
1 1 1 18  18 16 o 537.3885 16.85768 68.41160       4.261432  65.03497       5.685369  72.74092       6.437646  522.3117 23.13980 551.8417 24.79952 -29.52997      33.91853 
1 1 1 18  18 17 o 57.02908 28.37123 -7.332830      2.988723  -6.485866      3.309615  -11.07610      6.957778  64.51267 31.67355 97.60843 47.48878 -33.09576      57.08237 
1 1 1 18  18 18 o 152.7757 42.83919 5.951586       3.203062  11.95898       4.785275  1.075229       4.311333  214.5536 48.54714 114.6639 47.89370 99.88972       68.19554 
1 1 1 18  18 19 o 127.5333 41.87832 3.923132       2.904094  8.939694       4.017349  -1.567678      4.202954  185.5503 46.20336 97.43908 43.81691 88.11126       63.67631 
1 1 1 18  18 20 o 229.8302 30.35450 12.99554       3.201405  13.44682       4.368089  12.47180       4.705675  229.5590 41.99857 218.8839 47.09880 10.67509       63.10450 
1 1 1 18  18 21 o 92.69293 42.96436 -3.166534      4.460242  -1.729786      8.497814  -3.712842      5.240052  138.1015 62.18419 99.88599 46.39278 38.21549       77.58327 
1 1 1 18  18 22 o 206.4435 34.54782 10.73080       3.236438  11.69938       4.409982  9.600198       4.764587  211.1409 45.72516 189.0043 51.97195 22.13658       69.22337 
1 1 1 18  18 23 o 249.2466 28.58465 15.30263       3.290844  16.02616       4.517274  14.48438       4.803847  250.1805 39.71099 234.9307 45.10895 15.24979       60.09809 
1 1 1 18  18 24 o 170.7818 41.79489 7.709348       3.330330  13.43044       5.255402  3.870251       4.305077  221.4491 51.43445 132.6468 50.23758 88.80231       71.89796 
1 1 1 18  18 25 o 109.3758 46.50592 0.9877629      4.182353  0.1223841      5.082872  2.802022       7.359624  113.0945 49.65722 143.5948 61.38840 -30.50034      78.95806 
1 1 1 18  18 26 o 167.2806 40.09768 7.499330       3.114202  5.838288       4.980481  8.565675       3.990524  149.0462 54.49212 175.5824 47.26739 -26.53613      72.13596 
1 1 1 18  18 27 o 252.7617 35.41711 16.61660       4.095463  13.70690       5.594592  19.97622       6.011582  215.0115 55.07114 265.9730 49.88118 -50.96144      74.30318 
1 1 1 18  20 0  o 508.5497 14.12415 61.00296       3.378819  58.76221       6.161458  61.96658       4.040540  496.6560 26.46842 512.2504 16.76825 -15.59436      31.33291 
1 1 1 18  20 1  o 399.0413 13.45323 37.54906       2.525305  36.14745       6.997819  37.75891       2.707765  385.9898 39.07907 400.0806 14.38779 -14.09076      41.64352 
1 1 1 18  20 2  o 488.8788 16.73122 56.43981       3.847672  58.11535       7.986213  55.93332       4.390881  491.6652 34.75435 486.3726 19.19169 5.292633       39.70121 
1 1 1 18  20 3  o 109.1450 39.71364 2.374172       2.640812  2.190547       5.799975  2.422196       2.966103  138.9142 56.52649 112.9585 41.92192 25.95570       70.37536 
1 1 1 18  20 4  o 275.3921 15.78293 17.96182       2.036076  19.69085       6.599878  17.77996       2.140481  279.7563 52.06796 273.8767 16.69419 5.879608       54.67877 
1 1 1 18  20 5  o 168.9908 25.71101 6.934252       1.979411  2.021998       6.351191  7.462719       2.083166  142.6666 58.72647 175.3754 26.04231 -32.70883      64.24174 
1 1 1 18  20 6  o 811.4630 13.31518 155.3070       5.082591  170.5708       13.21341  152.6564       5.506235  844.2463 33.27182 804.2900 14.55368 39.95624       36.31561 
1 1 1 18  20 7  o 464.9302 16.96273 51.08214       3.709820  61.05827       8.895035  48.98145       4.081767  502.2637 37.92807 454.9866 19.07130 47.27713       42.45295 
1 1 1 18  20 8  o 503.1870 15.78506 59.80882       3.736328  55.58859       8.992296  60.68945       4.107698  477.9044 40.37796 506.6692 17.23474 -28.76471      43.90235 
1 1 1 18  20 9  o 182.9262 35.54922 8.310819       2.948765  15.51427       7.037751  6.776939       3.247575  244.0058 61.37246 164.0437 41.92698 79.96202       74.32664 
1 1 1 18  20 10 o 203.1021 37.57377 10.25966       3.457566  0.000000       0.000000  10.25966       3.457566  ?        ?        203.1021 37.57377 0.000000       37.57377 
1 1 1 18  20 11 o 397.4028 22.50064 37.64904       4.188982  46.78954       8.820693  34.98723       4.760002  435.6315 43.63071 382.0077 26.65609 53.62381       51.12911 
1 1 1 18  20 12 o 365.6888 23.52270 31.96151       4.024924  33.11534       8.181970  31.59315       4.622964  362.9542 49.18948 362.5692 27.30614 0.3850098      56.26038 
1 1 1 18  20 13 o 235.2221 24.25310 13.32552       2.645085  9.363855       3.246944  21.14177       4.560734  193.4920 37.02206 294.2273 33.55210 -100.7353      49.96375 
1 1 1 18  20 14 o 193.8183 27.85604 9.176550       2.466722  9.042684       3.032516  9.438339       4.240750  190.4289 35.14815 191.4850 47.34671 -1.056015      58.96697 
1 1 1 18  20 15 o 139.2163 36.47142 4.885689       2.417031  6.424822       3.066282  2.359971       3.927955  158.9205 40.80614 120.6318 47.37057 38.28871       62.52290 
1 1 1 18  20 16 o 201.2080 28.74009 9.916365       2.642917  8.219003       3.340596  12.75644       4.321172  179.6896 40.49157 224.2246 42.52440 -44.53499      58.71875 
1 1 1 18  20 17 o 340.4829 21.13569 27.71620       3.368453  30.17242       4.759619  25.25151       4.767815  352.8776 28.92769 321.5665 31.94219 31.31113       43.09425 
1 1 1 18  20 18 o 594.4727 19.41721 84.07285       5.429853  81.01991       6.075247  96.19501       12.10582  582.5778 22.16873 622.1804 41.60247 -39.60254      47.14041 
1 1 1 18  20 19 o 99.82301 39.17789 1.583045       2.685403  3.820242       3.557988  -1.378339      4.093546  129.8777 46.24329 96.80579 43.40947 33.07192       63.42574 
1 1 1 18  20 20 o 210.0990 32.14259 10.98200       3.075673  12.30565       3.791153  8.433414       5.260591  220.4810 37.92094 178.4806 56.16605 42.00043       67.76890 
1 1 1 18  20 21 o 78.91005 35.67807 -1.275285      2.831025  2.589839       3.790548  -6.150955      4.257332  119.5196 46.64823 78.59797 37.97461 40.92168       60.15088 
1 1 1 18  20 22 o 207.0367 39.63522 11.06485       3.719501  11.70928       7.752058  10.87213       4.239359  202.4405 68.46770 202.5671 45.59063 -0.1265869     82.25772 
1 1 1 18  20 23 o 178.4309 36.34636 8.215692       2.947104  5.676321       4.020353  11.16515       4.332834  147.8416 49.30896 204.0513 46.21304 -56.20969      67.57972 
1 1 1 18  20 24 o 175.9687 39.05333 8.155852       3.148267  10.59453       5.126678  6.679412       3.989024  193.4684 54.17867 156.9192 48.83259 36.54924       72.93799 
1 1 1 18  20 25 o 131.6310 42.70406 4.543036       3.023159  3.998217       4.802847  4.900548       3.890610  134.0300 52.45441 137.6340 48.42567 -3.603912      71.38985 
1 1 1 18  22 0  o 484.9711 14.74625 55.54258       3.364084  52.08991       5.828893  57.26702       4.119393  466.7959 26.65598 491.9888 17.79954 -25.19293      32.05254 
1 1 1 18  22 1  o 139.8817 34.07623 4.884191       2.221539  -1.031510      5.684376  5.950615       2.413486  119.0747 52.39260 154.4986 34.11989 -35.42392      62.52321 
1 1 1 18  22 2  o 176.0928 33.89886 7.685573       2.706091  9.622474       6.261199  7.240657       3.000841  195.2593 61.24758 169.9247 38.44086 25.33463       72.31159 
1 1 1 18  22 3  o 61.12859 27.94452 -1.187966      1.796982  0.000000       0.000000  -1.187966      1.796982  ?        ?        61.12859 27.94452 0.000000       27.94452 
1 1 1 18  22 4  o 346.5092 15.28200 28.36512       2.490946  26.09097       7.227735  28.67164       2.653511  322.5949 49.18552 348.2819 16.19648 -25.68704      51.78360 
1 1 1 18  22 5  o 636.2070 12.43470 95.48441       3.721371  92.74673       9.989141  95.92560       4.010031  620.0215 34.38406 637.5266 13.37150 -17.50513      36.89256 
1 1 1 18  22 6  o 471.3847 12.79450 52.43226       2.837057  57.58027       8.604421  51.80433       3.005107  486.5568 37.89285 468.4503 13.63726 18.10645       40.27211 
1 1 1 18  22 7  o 162.8996 25.62818 6.471913       1.898973  10.27943       7.238144  6.190466       1.967907  201.6533 66.10966 158.8799 27.31563 42.77341       71.53063 
1 1 1 18  22 8  o 241.4631 20.94662 13.94143       2.355645  24.26873       7.781946  12.89967       2.471603  307.3105 55.89105 231.8034 22.96912 75.50705       60.42673 
1 1 1 18  22 9  o 627.8170 15.63966 93.20193       4.618806  0.000000       0.000000  93.20193       4.618806  ?        ?        627.8170 15.63966 0.000000       15.63966 
1 1 1 18  22 10 o 262.5015 23.94744 16.54827       2.924510  7.265161       7.024989  18.49437       3.216479  178.3326 64.79057 277.3974 24.91527 -99.06476      69.41605 
1 1 1 18  22 11 o 328.3451 22.02895 25.75717       3.382748  20.40428       7.443591  27.15042       3.797548  279.1487 58.55532 336.6312 24.14201 -57.48248      63.33689 
1 1 1 18  22 12 o 657.9457 18.63346 102.6738       5.767039  93.13319       10.96640  106.3208       6.780307  617.5411 37.93467 668.5851 21.55874 -51.04407      43.63277 
1 1 1 18  22 13 o 198.7737 40.92309 10.00212       3.698957  1.250892       7.754235  12.58010       4.208667  147.6356 63.06162 223.2922 41.59897 -75.65657      75.54630 
1 1 1 18  22 14 o 155.2744 33.03728 6.040324       2.338939  7.423512       2.968622  3.776191       3.798090  171.3473 37.84117 131.9708 47.68685 39.37651       60.87684 
1 1 1 18  22 15 o 288.6351 20.68398 19.92303       2.789739  24.41388       3.686103  13.90193       4.268159  318.5835 24.79182 235.1400 40.02103 83.44353       47.07778 
1 1 1 18  22 16 o 481.0099 16.20430 54.83612       3.666517  57.47912       4.826085  51.22812       5.638714  491.2304 20.88528 461.4389 26.08428 29.79150       33.41534 
1 1 1 18  22 17 o 143.2484 37.02085 5.218127       2.512653  6.995275       3.297530  2.757776       3.879945  164.8273 42.31370 122.7696 47.39461 42.05767       63.53502 
1 1 1 18  22 18 o 239.4200 25.80997 13.93380       2.860857  16.38466       3.751808  10.52907       4.422029  257.8941 31.58672 200.3722 47.61745 57.52190       57.14142 
1 1 1 18  22 19 o 344.6166 22.83477 28.58736       3.680733  29.75982       4.144387  24.20928       8.008520  350.7454 25.28844 298.4530 59.13427 52.29239       64.31460 
1 1 1 18  22 20 o 124.4192 37.75167 3.903244       2.402557  5.259211       3.069079  1.757073       3.861142  142.8446 42.51753 113.3480 46.12172 29.49657       62.72921 
1 1 1 18  22 21 o 182.2914 31.28912 8.358917       2.586420  11.12387       3.467958  4.893342       3.882553  208.6918 36.66432 140.3346 48.43213 68.35727       60.74490 
1 1 1 18  22 22 o 132.9396 39.22799 4.583601       2.621457  4.448692       3.607350  4.734570       3.816047  134.0204 46.65953 137.7029 47.98751 -3.682541      66.93215 
1 1 1 18  22 23 o 211.8866 41.24430 11.87096       3.963000  0.000000       0.000000  11.87096       3.963000  ?        ?        211.8866 41.24430 0.000000       41.24430 
1 1 1 18  24 0  f 338.1070 17.78283 27.15085       2.818355  24.26925       5.029229  28.47010       3.402883  315.3382 34.46555 345.5887 21.03242 -30.25052      40.37619 
1 1 1 18  24 1  o 338.0565 19.15131 27.18249       3.032974  20.52319       6.576748  28.98132       3.418154  283.6137 51.17945 348.7263 20.93401 -65.11261      55.29529 
1 1 1 18  24 2  o 785.4639 15.77835 145.9058       5.829845  139.6255       11.27422  148.1980       6.811140  762.2073 31.44445 790.8613 18.30839 -28.65393      36.38614 
1 1 1 18  24 3  o 352.4766 15.89877 29.38440       2.636107  46.43282       7.484547  26.97006       2.816588  436.4294 36.80043 336.9839 17.83171 99.44553       40.89305 
1 1 1 18  24 4  o 779.4965 12.87798 143.4368       4.722055  140.5767       11.50103  144.0167       5.178680  764.4875 31.98137 780.7865 14.09995 -16.29895      34.95163 
1 1 1 18  24 5  o 650.9642 12.30230 100.0039       3.767147  94.44115       9.928927  100.9393       4.071587  624.8559 33.90643 653.8279 13.23826 -28.97198      36.39915 
1 1 1 18  24 6  o 78.76085 29.44520 1.133954       1.468580  -0.6950060     6.039927  1.248875       1.514016  123.7326 54.23420 81.09162 29.97969 42.64101       61.96878 
1 1 1 18  24 7  o 380.0459 13.44363 34.11103       2.403377  39.68490       7.911148  33.54430       2.522602  400.5832 42.63884 376.7823 14.23275 23.80081       44.95155 
1 1 1 18  24 8  o 306.1610 15.95193 22.23539       2.289428  0.000000       0.000000  22.23539       2.289428  ?        ?        306.1610 15.95193 0.000000       15.95193 
1 1 1 18  24 9  o 675.7126 13.17697 107.8307       4.188389  112.3365       11.55622  107.1494       4.493938  679.7294 36.27293 673.3551 14.18776 6.374268       38.94892 
1 1 1 18  24 10 o 307.4508 18.44664 22.49465       2.655521  9.872177       7.686841  24.20522       2.829742  198.0949 68.15980 318.8642 18.95091 -120.7693      70.74528 
1 1 1 18  24 11 o 465.4599 17.51001 51.34914       3.833876  0.000000       0.000000  51.34914       3.833876  ?        ?        465.4599 17.51001 0.000000       17.51001 
1 1 1 18  24 12 o 374.0705 21.86812 33.43231       3.831240  37.87159       8.591426  32.33038       4.280409  387.2535 48.20641 366.9720 24.94416 20.28149       54.27771 
1 1 1 18  24 13 o 542.7986 20.05399 70.06229       5.120458  47.85969       9.573244  78.95959       6.060192  435.7283 47.47442 575.4612 22.38726 -139.7330      52.48819 
1 1 1 18  24 14 o 238.8063 31.75642 14.02356       3.478904  7.131392       7.403409  15.97670       3.941133  176.7359 66.10464 254.4625 33.75851 -77.72655      74.22574 
1 1 1 18  24 15 o 582.1196 19.59957 80.64771       5.366956  76.48634       10.87295  81.98823       6.171145  553.9903 42.03642 585.8892 22.39139 -31.89886      47.62809 
1 1 1 18  24 16 o 159.1992 34.08909 6.406970       2.475852  6.393045       3.237984  6.426571       3.841674  157.4603 42.65742 158.0114 47.69129 -0.5510406     63.98527 
1 1 1 18  24 17 o 192.6305 28.95097 9.169442       2.542215  10.08996       3.371112  7.955703       3.870965  199.3839 37.31452 174.1658 46.41003 25.21803       59.55052 
1 1 1 18  24 18 o 367.3333 17.66073 32.12468       3.051674  31.44118       4.123363  32.95247       4.537778  360.6462 24.44974 368.4551 26.35520 -7.808838      35.94977 
1 1 1 18  24 19 o 567.6840 21.83303 77.35327       5.830288  0.000000       0.000000  77.35327       5.830288  ?        ?        567.6840 21.83303 0.000000       21.83303 
1 1 1 18  24 20 o 323.2938 23.59263 25.35622       3.563151  24.54780       4.095907  27.87158       7.224909  316.2082 27.81959 323.8956 48.94625 -7.687378      56.29978 
1 1 1 18  24 21 o 85.52502 35.44037 0.7061366      2.334185  -0.8956007E-01 3.198476  1.612755       3.414141  91.15061 39.72186 106.3771 43.33711 -15.22647      58.78717 
1 1 1 18  26 1  o 190.8319 25.70522 8.849010       2.248796  5.353746       6.123482  9.393889       2.417734  160.0267 60.06749 196.4377 26.86906 -36.41103      65.80312 
1 1 1 18  26 2  o 147.4879 40.45969 5.486556       2.891577  8.819858       5.672454  4.316290       3.361056  185.7419 58.30257 135.0690 45.08617 50.67288       73.70178 
1 1 1 18  26 3  o 262.3704 18.49097 16.40122       2.267547  28.82581       6.799905  14.84674       2.405217  340.1476 43.49369 249.1442 20.71039 91.00340       48.17282 
1 1 1 18  26 4  o 269.1657 17.20109 17.22893       2.166554  18.39774       6.315366  17.07303       2.306530  267.2939 52.09957 267.7223 18.42715 -0.4284363     55.26233 
1 1 1 18  26 5  o 206.0212 20.18722 10.17449       1.931265  5.829370       5.928595  10.69031       2.042684  162.3536 59.43849 211.0990 20.84269 -48.74536      62.98692 
1 1 1 18  26 6  o 156.0402 26.10687 5.971313       1.848589  1.177765       5.829742  6.507187       1.949179  131.1059 55.28222 162.9999 26.31772 -31.89403      61.22701 
1 1 1 18  26 7  o 123.4762 29.48349 3.806378       1.688872  0.000000       0.000000  3.806378       1.688872  ?        ?        123.4762 29.48349 0.000000       29.48349 
1 1 1 18  26 8  o 453.9209 12.78027 48.66373       2.728913  50.32700       8.258082  48.45984       2.891342  452.2975 39.20144 452.8489 13.57303 -0.5513306     41.48469 
1 1 1 18  26 9  o 334.6852 14.24723 26.48658       2.243037  25.48157       7.485418  26.58572       2.351074  314.6504 52.41707 335.2263 14.90935 -20.57596      54.49622 
1 1 1 18  26 10 o 249.9968 17.35930 14.89010       2.028783  10.95125       6.978301  15.25376       2.120370  203.5904 64.75883 252.9369 17.93726 -49.34647      67.19711 
1 1 1 18  26 11 o 540.7483 14.91799 69.21137       3.794678  55.41023       9.254380  72.00081       4.160526  471.9872 42.12464 551.2653 16.04421 -79.27805      45.07663 
1 1 1 18  26 12 o 60.52591 28.27450 -1.846745      1.991670  -1.412604      6.368711  -1.893806      2.096842  122.2612 54.53230 62.36761 29.09336 59.89362       61.80773 
1 1 1 18  26 13 o 417.4941 15.95147 41.32687       3.132710  31.36148       7.834640  43.22339       3.417829  349.4878 49.00304 426.7281 17.02667 -77.24023      51.87683 
1 1 1 18  26 14 o 95.81151 36.30193 1.697402       2.248522  7.639715       6.591143  0.9147619      2.392016  175.4440 62.88964 89.40128 36.33126 86.04272       72.62965 
1 1 1 18  26 15 o 200.4067 29.37138 9.926486       2.686716  0.000000       0.000000  9.926486       2.686716  ?        ?        200.4067 29.37138 0.000000       29.37138 
1 1 1 18  26 16 o 149.4667 52.49363 5.469283       4.570596  7.384068       6.789364  3.882283       6.180984  172.4550 63.53588 146.5228 58.80244 25.93224       86.57098 
1 1 1 18  26 17 o 94.19303 42.87318 -1.905249      4.172262  -4.857313      5.986084  0.8837694      5.818428  103.0266 48.41221 125.8228 54.20269 -22.79621      72.67513 
1 1 1 18  26 18 o 242.3991 44.72390 15.45473       4.911768  13.43341       6.898774  17.53270       6.994801  215.5506 63.64627 248.5341 60.41796 -32.98354      87.75635 
1 1 1 18  28 0  o 263.3318 23.18048 16.67266       2.842140  16.36034       4.408003  16.89489       3.718238  256.3823 37.67326 263.0049 30.62773 -6.622620      48.55237 
1 1 1 18  28 1  o 288.4895 18.64002 19.84034       2.516037  14.65815       6.438488  20.77434       2.733385  234.5935 58.53437 294.9761 19.81403 -60.38261      61.79700 
1 1 1 18  28 2  o 482.7126 19.77147 55.38739       4.489489  56.21284       8.365833  55.05351       5.320512  478.5276 37.46402 480.1975 23.55398 -1.669922      44.25316 
1 1 1 18  28 3  o 146.8084 31.15199 5.389061       2.084715  4.283591       5.826933  5.551334       2.232486  149.8416 58.01540 148.7122 32.79487 1.129379       66.64301 
1 1 1 18  28 4  f 195.1033 23.16314 9.206244       2.084314  12.69025       6.192078  8.761040       2.213484  218.2042 58.93779 189.7237 25.44293 28.48045       64.19506 
1 1 1 18  28 5  o 341.9637 16.03974 27.70105       2.580161  16.53389       6.774605  29.59570       2.790469  249.0316 58.77655 353.3450 16.78838 -104.3134      61.12719 
1 1 1 18  28 6  f 483.4188 13.52847 55.25008       3.076391  40.84424       7.527037  58.13911       3.370785  405.9640 39.93218 495.7155 14.45537 -89.75159      42.46807 
1 1 1 18  28 7  o 84.47514 33.12088 1.074915       1.917528  -1.700060      5.637725  1.437932       2.039098  113.7081 50.96920 90.46537 34.49934 23.24270       61.54725 
1 1 1 18  28 8  o 254.1977 18.60920 15.43479       2.209731  18.02616       6.229972  15.06186       2.363393  262.5610 52.27877 250.7469 20.20848 11.81404       56.04866 
1 1 1 18  28 9  o 130.0674 29.81355 4.244429       1.785111  0.9717599      5.587184  4.616485       1.883851  126.3973 53.74788 135.6391 30.29056 -9.241806      61.69565 
1 1 1 18  28 10 o 166.6570 58.33155 6.846017       5.641447  6.846017       5.641447  0.000000       0.000000  166.6570 58.33155 ?        ?        0.000000       58.33155 
1 1 1 18  28 11 o 168.8466 47.87793 7.444134       3.977701  5.841261       5.600697  9.075506       5.650268  158.1824 57.79264 184.9069 58.21251 -26.72447      82.02856 
1 1 1 18  28 12 o 534.3113 24.30856 68.57220       6.109741  72.71107       8.572034  64.29846       8.710588  544.1348 33.65466 509.6287 36.57824 34.50610       49.70517 
1 1 1 18  28 13 o 317.4889 33.21651 24.93569       4.887359  15.42509       6.404275  38.19858       7.562844  237.1848 57.90491 388.3010 42.07769 -151.1161      71.57870 
1 1 1 18  28 14 o 392.7010 39.74209 38.91201       7.240379  0.000000       0.000000  38.91201       7.240379  ?        ?        392.7010 39.74209 0.000000       39.74209 
1 1 1 18  28 15 o 99.89068 44.10945 -0.5625136     4.063897  3.819858       6.207548  -3.849584      5.376133  145.1812 58.69398 99.94952 46.61135 45.23163       74.95066 
1 1 1 18  30 0  o 355.9749 17.57942 30.11042       2.943698  24.48766       4.072652  36.26146       4.259677  317.5878 27.53360 388.4538 23.42091 -70.86600      36.14745 
1 1 1 18  30 1  o 340.4672 18.95333 27.66918       3.023469  34.12604       6.257636  25.70278       3.453304  371.4014 36.28103 327.0970 22.58172 44.30438       42.73462 
1 1 1 18  30 2  o 214.6880 26.84118 11.25605       2.651447  17.14328       5.633615  9.580913       3.005080  256.8865 48.39584 195.6733 33.87451 61.21326       59.07317 
1 1 1 18  30 3  o 278.4437 32.67596 19.10459       4.198551  14.41439       6.050614  23.46017       5.830780  231.6564 56.11723 304.8550 41.75721 -73.19856      69.94861 
1 1 1 18  30 4  o 434.7128 23.84690 45.41612       4.857827  38.79311       6.751195  52.52676       6.995317  395.8974 36.66807 463.5969 32.27866 -67.69946      48.85140 
1 1 1 18  30 5  o 232.3156 35.07434 13.47513       3.713624  17.17004       5.348485  10.03567       5.160284  258.1446 45.71854 193.8691 54.37892 64.27547       71.04401 
1 1 1 18  30 6  o 251.8955 46.93536 16.45957       5.356851  0.000000       0.000000  16.45957       5.356851  ?        ?        251.8955 46.93536 0.000000       46.93536 
1 1 1 18  30 7  o 115.2073 45.24839 2.245848       3.584489  2.531808       5.204572  1.987812       4.943932  131.6857 53.56147 125.9020 51.81810 5.783714       74.52480 
1 1 1 18  30 8  o 196.5093 42.20964 9.989329       3.785376  8.041023       5.619075  11.60821       5.122041  175.3023 58.28605 208.1589 52.35804 -32.85667      78.34940 
1 1 1 18  30 9  o 323.9865 44.57279 26.91439       6.613178  26.91439       6.613178  0.000000       0.000000  323.9865 44.57279 ?        ?        0.000000       44.57279 
1 1 1 18  30 10 o 302.3217 31.20879 22.53063       4.374439  24.76516       6.164831  20.26457       6.208179  310.8550 43.33817 277.3991 49.38651 33.45593       65.70559 
1 1 1 19  1  0  o 992.8857 15.41780 232.1900       7.200968  234.5720       12.78544  231.0834       8.714615  996.4878 27.27560 990.1908 18.70941 6.296997       33.07568 
1 1 1 19  1  1  o 912.4326 13.04879 196.0033       5.600673  194.6830       7.874868  197.3547       7.967032  908.9158 18.41833 915.1226 18.50751 -6.206848      26.11059 
1 1 1 19  1  2  o 885.9030 13.22372 184.7689       5.510732  186.1183       7.822669  183.4396       7.764361  888.7041 18.71236 882.2861 18.70798 6.418030       26.46017 
1 1 1 19  1  3  o 768.3296 13.32523 138.9758       4.816056  143.7577       6.957450  134.5765       6.673296  781.0657 18.93622 755.7247 18.77187 25.34100       26.66389 
1 1 1 19  1  4  o 493.4686 14.40068 57.33428       3.342811  55.01156       4.657739  59.80144       4.800385  483.1098 20.49557 503.7154 20.25917 -20.60562      28.81844 
1 1 1 19  1  5  o 335.0729 18.25461 26.52814       2.866424  23.18596       4.058053  29.85615       4.049433  312.1462 27.93222 354.9370 24.40170 -42.79080      37.08978 
1 1 1 19  1  6  o 1104.664 16.89721 287.4039       8.780403  280.3805       14.58475  291.3964       10.99645  1089.720 28.45213 1111.895 21.02420 -22.17505      35.37712 
1 1 1 19  1  7  o 1026.694 20.17525 248.4047       9.743823  237.2473       13.35166  261.1177       14.25206  1002.435 28.31456 1051.585 28.81138 -49.15051      40.39566 
1 1 1 19  1  8  o 750.7537 16.71682 132.7455       5.903646  131.4185       7.299222  135.2557       10.03890  746.7174 20.78026 756.8785 28.19619 -10.16107      35.02634 
1 1 1 19  1  9  o 784.2820 14.98235 144.8351       5.527408  149.0612       7.929934  140.8416       7.708634  795.1928 21.19961 772.9574 21.20082 22.23541       29.98163 
1 1 1 19  1  10 o 918.5016 15.19903 198.6690       6.566970  206.6334       9.541631  191.5011       9.051905  936.1414 21.66765 901.2442 21.35149 34.89716       30.41995 
1 1 1 19  1  11 o 765.3502 15.37160 137.9549       5.534121  141.5444       7.940535  134.5645       7.717104  774.7244 21.78879 755.3875 21.71777 19.33691       30.76383 
1 1 1 19  1  12 o 1707.564 22.33877 687.8665       17.94343  696.1515       22.16605  672.1166       30.56182  1716.497 27.45213 1682.870 38.60640 33.62659       47.37165 
1 1 1 19  1  13 o 336.3317 27.85616 26.92251       4.367485  21.61415       7.835540  29.31511       5.260458  294.9273 58.54417 350.3841 32.27906 -55.45685      66.85326 
1 1 1 19  1  14 o 350.5881 22.71088 29.13804       3.725283  30.38896       5.402517  28.00410       5.143699  356.6227 32.56383 342.2657 32.33088 14.35706       45.88779 
1 1 1 19  1  15 o 147.4376 45.29419 5.205887       3.444448  8.009767       4.839056  2.326285       4.903963  180.8538 53.27764 132.6291 52.65886 48.22473       74.90969 
1 1 1 19  1  16 o 367.2744 26.93018 32.11227       4.620201  32.53298       5.771294  31.36147       7.709743  368.4523 33.67048 358.6110 46.82072 9.841309       57.67046 
1 1 1 19  1  17 o 150.1398 50.69904 5.129108       4.250481  14.87515       7.903450  1.163209       5.041658  241.6365 67.12904 125.6691 52.08137 115.9674       84.96339 
1 1 1 19  1  18 o 99.81693 43.49788 -0.5853118     3.835362  12.39531       5.389990  -13.89901      5.458704  221.2475 52.56674 76.16143 37.96214 145.0860       64.84124 
1 1 1 19  1  19 o 441.6820 22.04925 46.24328       4.581133  46.79095       6.418943  45.67474       6.540158  441.5545 31.10240 435.9411 32.11892 5.613434       44.71000 
1 1 1 19  1  20 o 429.4334 22.68264 43.92021       4.565786  55.28289       6.785300  34.51829       6.172156  479.7321 30.22225 377.1192 35.19968 102.6129       46.39399 
1 1 1 19  1  21 o 359.9324 29.60176 31.27032       4.967542  33.65042       8.865683  30.18115       5.997403  363.5975 53.42825 351.1188 36.86119 12.47867       64.91013 
1 1 1 19  1  22 o 613.1564 22.26559 89.59003       6.422065  114.9227       11.89302  79.16305       7.630109  685.7656 37.00479 574.1011 28.25355 111.6644       46.55768 
1 1 1 19  1  23 o 291.7042 35.99609 21.08807       4.834552  28.01156       6.073226  9.111178       7.987834  335.2435 39.25462 190.8146 69.12439 144.4289       79.49281 
1 1 1 19  1  24 o 153.7738 51.07583 5.954834       4.315260  5.879905       7.382452  5.993723       5.318469  166.4567 65.06380 157.7570 56.49868 8.699722       86.17075 
1 1 1 19  1  25 o 101.7600 45.36135 -1.022733      4.399747  2.306219       5.436857  -7.339478      7.489292  131.2769 54.21838 110.5703 52.60575 20.70661       75.54468 
1 1 1 19  1  26 o 227.9490 39.64616 13.35021       4.096804  15.70455       6.039206  11.34319       5.575988  239.4113 54.80743 202.4277 56.43776 36.98354       78.67068 
1 1 1 19  1  27 o 346.3624 33.48075 29.95002       5.386971  35.55357       6.709212  19.78300       9.037260  374.1247 38.68144 254.7424 72.14326 119.3822       81.85905 
1 1 1 19  1  28 o 314.3608 34.80848 24.98279       5.060946  24.01903       8.696794  25.47628       6.223210  283.9124 66.31731 311.5591 43.66146 -27.64670      79.39968 
1 1 1 19  1  29 o 111.2604 45.22587 1.983187       3.707797  -3.863287      5.069153  8.710015       5.437428  94.65957 44.50292 174.1665 57.30887 -79.50689      72.55905 
1 1 1 19  1  30 o 99.01534 43.41178 0.1093230      3.872194  5.389418       7.103465  -2.122975      4.618760  151.3132 62.17546 95.75180 44.14870 55.56142       76.25546 
1 1 1 19  1  31 o 118.6668 49.45069 2.456691       4.581077  -6.860880      6.239914  13.35018       6.747001  94.74048 45.82390 201.1837 63.64297 -106.4432      78.42358 
1 1 1 19  1  32 o 135.5255 51.35765 5.134582       4.500841  10.05054       6.369543  0.2321641      6.360767  172.1923 61.81287 116.8412 53.08695 55.35108       81.48039 
1 1 1 19  1  33 o 272.5445 59.06468 24.82759       7.353760  24.82759       7.353760  0.000000       0.000000  272.5445 59.06468 ?        ?        0.000000       59.06468 
1 1 1 19  3  0  o 814.8832 13.48461 156.3377       5.168958  162.1879       10.53454  154.4826       5.932147  828.7435 27.02254 809.8995 15.57082 18.84406       31.18763 
1 1 1 19  3  1  o 711.5335 15.14326 119.2238       5.068552  108.3234       8.855584  124.5343       6.181126  677.2438 27.79732 727.0185 18.07394 -49.77466      33.15657 
1 1 1 19  3  2  o 414.3297 14.65482 40.42213       2.856249  38.41124       3.981903  42.55339       4.099348  403.1036 21.07248 424.8836 20.51046 -21.78003      29.40627 
1 1 1 19  3  3  f 371.0739 15.99209 32.42807       2.791482  33.81015       4.045664  31.17214       3.856622  377.9581 22.86259 362.8742 22.70768 15.08386       32.22324 
1 1 1 19  3  4  o 509.2235 14.36746 61.05130       3.441579  61.41072       4.892892  60.69934       4.841766  510.4597 20.37675 507.4993 20.28145 2.960388       28.74977 
1 1 1 19  3  5  o 1407.486 18.58844 466.7083       12.30712  462.5446       20.84190  468.9373       15.24974  1398.998 31.67021 1410.227 22.98815 -11.22949      39.13383 
1 1 1 19  3  6  f 256.4212 25.58427 15.66581       3.044802  15.38645       4.905657  15.84087       3.883327  251.2232 43.06107 256.7957 32.90428 -5.572540      54.19361 
1 1 1 19  3  7  o 486.9347 15.73221 55.83315       3.603544  52.65102       4.965138  59.37487       5.238178  472.5727 22.33538 501.8493 22.18900 -29.27658      31.48366 
1 1 1 19  3  8  o 506.0340 18.35754 60.32750       4.369819  57.48608       5.276926  66.52795       7.795157  493.7568 22.71949 529.6422 31.42826 -35.88535      38.78029 
1 1 1 19  3  9  o 690.9169 17.27475 112.4485       5.614446  113.1031       6.883438  111.1475       9.704306  692.6634 21.12584 685.8465 30.07934 6.816895       36.75687 
1 1 1 19  3  10 o 1032.573 18.52297 251.2372       8.997060  257.6992       16.00696  248.2528       10.87799  1043.746 32.60202 1025.966 22.53961 17.78027       39.63491 
1 1 1 19  3  11 o 450.6247 37.83499 48.48395       7.945834  0.000000       0.000000  48.48395       7.945834  ?        ?        450.6247 37.83499 0.000000       37.83499 
1 1 1 19  3  12 o 1041.482 15.90702 255.5188       7.793093  253.0487       10.89108  258.1104       11.15589  1035.645 22.35582 1045.906 22.67474 -10.26025      31.84221 
1 1 1 19  3  13 o 628.1895 16.68680 92.99028       4.930977  84.57188       6.750985  102.6176       7.219473  598.4814 23.97989 659.3214 23.27765 -60.83997      33.41982 
1 1 1 19  3  14 o 909.7897 18.89261 195.2016       8.085417  222.1760       15.57897  185.2573       9.459095  967.6716 34.22485 885.7877 22.70130 81.88391       41.06932 
1 1 1 19  3  15 o 533.5259 18.40108 67.14219       4.618151  75.97271       6.923646  60.06460       6.198466  566.7228 25.97137 503.2008 26.27744 63.52203       36.94612 
1 1 1 19  3  16 o 556.4169 20.36244 73.11515       5.329659  73.12724       9.019320  73.10867       6.606471  553.2481 34.83435 555.7830 25.26940 -2.534851      43.03458 
1 1 1 19  3  17 o 642.6197 18.02206 97.49633       5.447885  103.7257       7.989769  92.08352       7.447706  661.5485 25.67457 623.3684 25.39852 38.18005       36.11466 
1 1 1 19  3  18 o 758.3212 17.98421 135.8639       6.415257  145.4497       9.159330  126.6329       8.988175  783.0123 24.86714 730.2749 26.16470 52.73743       36.09663 
1 1 1 19  3  19 f 777.3950 17.34701 142.8553       6.343597  143.2828       8.990951  142.4315       8.951581  776.5964 24.61166 774.2969 24.57666 2.299561       34.78141 
1 1 1 19  3  20 o 377.6483 24.03428 34.05752       4.247402  38.08400       5.956738  29.89298       6.058009  397.1490 32.16108 349.9026 37.38418 47.24643       49.31442 
1 1 1 19  3  21 o 128.1846 46.21312 3.515836       3.564004  5.658975       5.267525  1.706401       4.840086  157.8050 56.25800 125.1233 51.35772 32.68169       76.17465 
1 1 1 19  3  22 o 368.9538 29.21485 32.94871       5.028969  35.46374       8.950679  31.78852       6.079237  371.7285 52.65995 359.5607 36.44602 12.16776       64.04204 
1 1 1 19  3  23 o 219.7200 38.37604 12.17848       3.822078  11.78396       5.357706  12.58731       5.454050  210.4887 53.88176 217.6599 53.61919 -7.171158      76.01488 
1 1 1 19  3  24 o 64.77141 32.03675 -7.817431      3.604268  -13.48089      5.212981  -2.630571      4.988815  72.80519 36.41306 101.3796 46.42494 -28.57443      59.00158 
1 1 1 19  3  25 o 316.7790 28.58984 24.55181       4.214362  30.65426       6.121937  19.05488       5.810284  349.4357 37.84858 269.6934 47.53614 79.74228       60.76347 
1 1 1 19  3  26 o 387.1278 25.53843 36.39354       4.624568  43.42044       6.673117  29.90016       6.414784  417.9319 34.24395 342.5950 40.59401 75.33691       53.10858 
1 1 1 19  3  27 o 256.7975 35.59332 16.70055       4.183995  11.79393       5.897728  21.67204       5.936587  204.1003 58.44625 287.1651 45.46160 -83.06479      74.04540 
1 1 1 19  3  28 o 155.7856 48.84750 6.544976       3.982996  14.04204       5.938457  0.4146086      5.369962  221.8496 56.69282 117.4688 51.32204 104.3808       76.47240 
1 1 1 19  3  29 o 194.4745 49.19643 10.57045       4.503857  13.04989       5.630450  6.165280       7.504938  212.1726 55.70413 159.7538 64.55380 52.41876       85.26514 
1 1 1 19  3  30 o 136.6043 47.76662 4.955495       3.782531  4.004162       6.512093  5.439885       4.646771  141.0125 58.87724 143.1986 52.59227 -2.186157      78.94604 
1 1 1 19  3  31 o 158.0928 47.24252 7.210674       3.783577  18.90012       6.942803  2.272513       4.512534  244.3795 60.67475 116.8099 48.91207 127.5696       77.93468 
1 1 1 19  3  32 o 151.7085 58.05160 7.146255       5.785899  7.146255       5.785899  0.000000       0.000000  151.7085 58.05160 ?        ?        0.000000       58.05160 
1 1 1 19  5  0  o 2013.170 20.42872 955.2534       19.34599  953.6267       38.84469  955.7900       22.30967  2004.974 41.18637 2013.033 23.55986 -8.058960      47.44876 
1 1 1 19  5  1  o 827.9100 15.47768 161.4077       6.027793  162.1879       11.01087  161.0739       7.203001  828.7567 28.24393 826.8403 18.51921 1.916321       33.77396 
1 1 1 19  5  2  o 56.56553 27.13471 -3.020486      2.082289  -4.358532      2.846606  -1.480453      3.053914  65.14459 31.37013 83.20776 37.39007 -18.06317      48.80678 
1 1 1 19  5  3  f 740.9409 15.41264 129.2713       5.371926  130.4027       6.615320  127.0809       9.204850  743.9621 18.90300 733.8025 26.66664 10.15961       32.68689 
1 1 1 19  5  4  o 740.0079 19.12387 129.0226       6.657043  0.000000       0.000000  129.0226       6.657043  ?        ?        740.0079 19.12387 0.000000       19.12387 
1 1 1 19  5  5  o 595.8080 15.86046 83.59241       4.445200  82.07492       7.326817  84.47636       5.591948  589.7562 26.41031 598.7488 19.85405 -8.992676      33.04070 
1 1 1 19  5  6  o 1550.474 17.34432 566.2259       12.65002  573.1216       18.17459  559.7459       17.61805  1558.725 24.78709 1540.514 24.31212 18.21106       34.72001 
1 1 1 19  5  7  o 1105.433 14.96443 287.7262       7.781477  286.1855       10.97031  289.2864       11.03936  1101.867 21.16509 1107.819 21.18390 -5.951172      29.94526 
1 1 1 19  5  8  o 261.6647 23.29829 16.27514       2.837729  17.82946       3.909787  14.54485       4.125182  272.9313 31.00315 245.1572 36.91570 27.77412       48.20751 
1 1 1 19  5  9  o 932.2733 17.10129 204.7387       7.499659  206.7533       9.245193  200.8621       12.82486  936.4813 20.98687 921.9833 29.57061 14.49792       36.26113 
1 1 1 19  5  10 o 487.7229 23.88512 56.12728       5.479866  56.12728       5.479866  0.000000       0.000000  487.7229 23.88512 ?        ?        0.000000       23.88512 
1 1 1 19  5  11 o 284.8016 24.85160 19.29256       3.296045  19.77050       4.625476  18.79951       4.697994  286.7915 35.01332 279.2623 36.64749 7.529205       50.68502 
1 1 1 19  5  12 o 283.5506 25.53229 19.14243       3.369045  19.20679       4.917922  19.08552       4.624687  281.9668 38.04951 281.5012 35.72927 0.4656067      52.19527 
1 1 1 19  5  13 o 559.8642 17.19302 73.87845       4.527977  76.81149       6.550531  71.19467       6.265995  570.2607 24.41933 549.0298 24.26190 21.23096       34.42301 
1 1 1 19  5  14 o 820.2867 16.31227 158.5943       6.294330  162.3808       9.068729  155.0748       8.743242  829.1194 23.25199 810.2987 22.93813 18.82068       32.66210 
1 1 1 19  5  15 o 283.2497 31.69624 19.27251       4.150850  21.64685       7.493580  18.22152       4.985590  294.6630 56.11164 273.6301 39.90766 21.03287       68.85592 
1 1 1 19  5  16 o 271.8413 28.40992 17.71489       3.579239  16.64716       5.104687  18.74749       5.019993  260.2209 43.21823 277.3846 39.59639 -17.16367      58.61476 
1 1 1 19  5  17 o 692.4426 17.61491 113.2143       5.737642  120.4611       8.311333  106.6163       7.930556  712.9019 24.78401 670.6099 25.13995 42.29205       35.30246 
1 1 1 19  5  18 o 200.7018 39.94492 10.02158       3.638602  15.21400       5.348980  5.549568       4.964070  246.2839 47.89514 157.1822 54.73435 89.10173       72.73097 
1 1 1 19  5  19 o 178.6452 55.20853 7.960321       5.108733  7.960321       5.108733  0.000000       0.000000  178.6452 55.20853 ?        ?        0.000000       55.20853 
1 1 1 19  5  20 o 158.0701 45.66050 6.280586       3.585511  7.428004       4.834437  4.877845       5.345322  172.3022 53.78159 152.5994 56.34808 19.70287       77.89458 
1 1 1 19  5  21 o 178.5892 42.90983 8.132402       3.559867  2.755344       4.992048  13.69594       5.077874  133.5029 53.09054 231.0455 48.27722 -97.54260      71.75859 
1 1 1 19  5  22 o 406.6928 23.14507 39.61497       4.409554  39.01465       6.171631  40.24103       6.302531  399.8666 33.10855 406.0646 33.28783 -6.197937      46.94950 
1 1 1 19  5  23 o 321.7415 30.58289 25.29567       4.572990  26.25743       7.471175  24.71948       5.782795  317.4131 51.82623 313.9189 40.07518 3.494232       65.51318 
1 1 1 19  5  24 o 159.0607 46.60104 6.587919       3.711235  5.382824       5.112315  7.930535       5.396138  151.6172 55.24254 173.8847 57.08481 -22.26749      79.43812 
1 1 1 19  5  25 o 663.3336 19.50529 105.0870       6.086303  105.1048       8.473407  105.0679       8.747817  658.5755 27.35163 657.7986 28.27076 0.7769165      39.33634 
1 1 1 19  5  26 o 90.22242 42.30624 -3.793017      4.530564  -2.186013      5.270067  -8.344234      8.868934  105.4886 48.08025 119.0025 56.79101 -13.51395      74.41055 
1 1 1 19  5  27 o 126.0138 46.93154 3.529643       3.723788  6.323375       5.268954  0.7416789      5.263512  157.0587 56.23650 119.0791 51.42463 37.97956       76.20391 
1 1 1 19  5  28 o 209.7750 40.97910 11.60017       3.898734  14.30447       5.570054  9.002713       5.458910  225.8900 53.28291 178.2805 57.33688 47.60950       78.27251 
1 1 1 19  5  29 o 130.7007 51.87636 3.580743       4.757876  0.000000       0.000000  3.580743       4.757876  ?        ?        130.7007 51.87636 0.000000       51.87636 
1 1 1 19  5  30 o 137.0270 48.23110 5.010944       3.859776  9.830560       6.872298  2.790077       4.665059  177.8094 64.16171 122.8759 50.42622 54.93347       81.60593 
1 1 1 19  5  31 o 169.8387 45.93320 8.302683       3.758130  6.658740       6.272688  9.223200       4.693821  152.2075 59.83270 174.5527 52.72318 -22.34515      79.74763 
1 1 1 19  5  32 o 250.2342 57.68589 20.10999       6.651153  20.10999       6.651153  0.000000       0.000000  250.2342 57.68589 ?        ?        0.000000       57.68589 
1 1 1 19  7  0  o 808.3688 13.20284 153.8252       5.020493  161.3555       10.95901  151.8251       5.648030  826.6709 28.18184 802.9998 14.95245 23.67108       31.90285 
1 1 1 19  7  1  o 618.7130 14.01506 90.12147       4.078998  85.55292       8.161790  91.64243       4.709291  601.9088 28.82607 623.8204 16.04821 -21.91156      32.99223 
1 1 1 19  7  2  o 923.0161 14.28669 200.5768       6.203119  217.1225       13.30890  195.9850       7.011248  958.8091 29.50807 912.2529 16.33845 46.55621       33.72937 
1 1 1 19  7  3  o 872.6385 15.06823 179.2988       6.185374  191.4388       10.68008  173.1718       7.587360  900.8224 25.20381 857.3401 18.81344 43.48236       31.45119 
1 1 1 19  7  4  o 1172.015 16.66183 323.5065       9.185970  313.3175       14.99541  329.6267       11.62186  1152.066 27.67017 1182.600 20.89145 -30.53394      34.67118 
1 1 1 19  7  5  o 659.8750 13.77430 102.5094       4.275635  99.68633       5.963807  105.4951       6.133068  650.4241 19.49206 669.1064 19.48558 -18.68231      27.56135 
1 1 1 19  7  6  o 1958.642 20.27218 904.1469       18.67776  895.6651       26.21427  912.8926       26.61906  1947.456 28.61547 1966.049 28.78254 -18.59302      40.58669 
1 1 1 19  7  7  o 532.2573 14.91589 66.70838       3.734566  66.25111       5.224682  67.18610       5.340158  530.1346 20.95099 533.8441 21.26525 -3.709473      29.85221 
1 1 1 19  7  8  o 990.6363 14.77394 231.0874       6.884621  227.6424       9.651722  234.6560       9.823192  982.6511 20.88027 997.6683 20.93135 -15.01715      29.56530 
1 1 1 19  7  9  o 159.3605 37.73900 6.261467       2.785387  2.533375       3.811370  10.53500       4.080670  123.6671 47.16507 206.7619 43.34159 -83.09476      64.05495 
1 1 1 19  7  10 o 896.7208 21.22930 189.6380       8.954932  189.6380       8.954932  0.000000       0.000000  896.7208 21.22930 ?        ?        0.000000       21.22930 
1 1 1 19  7  11 o 746.8832 15.23527 131.3993       5.352690  135.8178       7.618449  127.0918       7.522162  758.7922 21.34393 733.9673 21.78696 24.82483       30.49975 
1 1 1 19  7  12 o 825.3445 15.43899 160.4852       5.994094  168.7460       8.669190  152.9188       8.296919  845.6195 21.79386 804.9724 21.91122 40.64716       30.90427 
1 1 1 19  7  13 o 642.0762 16.51364 97.16940       4.987682  107.4530       7.357839  88.42648       6.784311  674.5069 23.18967 611.8406 23.57209 62.66632       33.06667 
1 1 1 19  7  14 o 330.9507 23.77999 26.02014       3.677387  30.83190       5.534471  22.21646       4.920692  358.8534 33.16113 303.7553 35.08292 55.09805       48.27496 
1 1 1 19  7  15 o 253.5518 37.84747 15.66007       4.375894  6.721166       8.589984  18.79272       5.085179  188.0887 71.02886 277.7105 40.08710 -89.62177      81.56026 
1 1 1 19  7  16 o 146.5107 44.72855 5.196834       3.365114  1.919359       4.816710  8.321783       4.703297  128.2413 51.75241 182.7735 52.14387 -54.53227      73.46629 
1 1 1 19  7  17 o 553.0018 18.58926 72.27554       4.835685  76.30482       6.800091  68.15347       6.877958  567.0043 25.49524 534.8051 27.43207 32.19922       37.45031 
1 1 1 19  7  18 f 609.3445 20.62434 87.94419       5.911700  90.68953       7.387531  83.05589       9.857800  617.6628 25.42603 587.0092 35.87196 30.65363       43.96909 
1 1 1 19  7  19 o 631.9811 25.99582 95.16341       7.728175  0.000000       0.000000  95.16341       7.728175  ?        ?        631.9811 25.99582 0.000000       25.99582 
1 1 1 19  7  20 o 356.5723 28.85202 30.65027       4.797940  32.14256       5.731412  27.15517       8.771321  363.5565 33.90470 322.9214 59.95005 40.63504       68.87334 
1 1 1 19  7  21 o 83.26972 38.08310 -2.036707      3.342282  -0.8215545     4.742618  -3.235682      4.710941  108.4693 47.78666 96.46724 44.51652 12.00209       65.30915 
1 1 1 19  7  22 o 245.8483 37.01472 15.08599       4.147932  23.25506       7.051692  10.76411       5.129120  299.1606 51.99676 201.7936 53.25655 97.36700       74.43066 
1 1 1 19  7  23 o 319.9074 27.18097 24.84177       4.051594  17.96642       5.599841  32.39468       5.869289  263.5208 46.89299 362.1988 34.87963 -98.67804      58.44263 
1 1 1 19  7  24 o 272.7345 31.59540 18.36858       3.978456  12.48334       5.434126  25.16721       5.840613  214.9337 53.85664 315.4895 40.27428 -100.5558      67.24995 
1 1 1 19  7  25 o 314.9715 32.92347 24.59735       4.805956  25.91310       5.865089  21.90844       8.384472  319.6814 39.86866 277.4497 65.32423 42.23169       76.52951 
1 1 1 19  7  26 o 498.0481 22.53524 59.67553       5.279622  58.30032       7.317324  61.16890       7.625216  485.7418 32.20683 497.1587 32.78938 -11.41690      45.96110 
1 1 1 19  7  27 o 215.0030 48.63459 12.53973       4.803720  10.34348       5.593702  18.70987       9.375734  191.3306 57.50288 244.1349 74.68310 -52.80437      94.25574 
1 1 1 19  7  28 o 164.0361 50.21262 7.414120       4.237463  4.551130       6.677719  9.344156       5.482782  148.6427 60.58809 180.7236 57.39283 -32.08083      83.45570 
1 1 1 19  7  29 o 106.2255 44.34780 1.398366       3.694060  7.152200       6.399082  -1.477495      4.524004  161.5396 61.23222 98.16520 44.66674 63.37441       75.79250 
1 1 1 19  7  30 o 136.5143 52.72455 4.656535       4.803370  0.000000       0.000000  4.656535       4.803370  ?        ?        136.5143 52.72455 0.000000       52.72455 
1 1 1 19  7  31 o 120.9516 48.74766 3.211194       4.267656  -3.121284      5.868663  10.31807       6.217156  101.8172 47.87314 177.2072 61.27994 -75.38996      77.76290 
1 1 1 19  7  32 o 142.7852 51.37496 6.177856       4.402409  2.196195       6.172585  10.30024       6.280715  122.7346 54.27096 171.7126 61.40788 -48.97800      81.95281 
1 1 1 19  9  0  o 1082.375 14.01315 275.8218       7.134816  258.7396       14.45521  281.3238       8.203768  1046.552 29.36261 1092.955 15.95665 -46.40332      33.41822 
1 1 1 19  9  1  o 612.3833 13.69149 88.28706       3.944059  99.43520       9.122783  85.72437       4.373952  648.7424 29.89412 603.3539 15.41106 45.38849       33.63271 
1 1 1 19  9  2  o 915.9632 16.19277 197.5920       6.976997  0.000000       0.000000  197.5920       6.976997  ?        ?        915.9632 16.19277 0.000000       16.19277 
1 1 1 19  9  3  o 558.0240 17.04612 73.34744       4.474533  0.000000       0.000000  73.34744       4.474533  ?        ?        558.0240 17.04612 0.000000       17.04612 
1 1 1 19  9  4  o 753.1925 15.34525 133.5907       5.436874  137.2776       6.821538  127.1700       9.002066  763.2695 18.99919 734.0334 26.07096 29.23608       32.25933 
1 1 1 19  9  5  o 406.9261 15.92526 38.99842       3.048396  39.99885       4.227990  37.91529       4.399276  411.2870 21.93262 400.2423 23.46886 11.04468       32.12207 
1 1 1 19  9  6  o 1156.903 15.08507 315.1844       8.209437  315.5209       11.65247  314.8528       11.56778  1156.802 21.41361 1155.594 21.28019 1.207642       30.18922 
1 1 1 19  9  7  o 938.6058 14.42901 207.4486       6.370730  210.4495       9.079868  204.5389       8.940886  944.8193 20.42968 931.4594 20.40550 13.35986       28.87484 
1 1 1 19  9  8  o 641.7613 14.65375 96.99094       4.423759  96.95898       6.208608  97.02391       6.304782  641.2646 20.58200 641.4550 20.89462 -0.1904297     29.32924 
1 1 1 19  9  9  o 314.4249 23.97987 23.46968       3.520026  23.49486       4.344148  23.42152       6.006590  313.8104 29.78542 311.1281 42.12426 2.682281       51.59093 
1 1 1 19  9  10 o 538.0025 16.07338 68.19435       4.067812  68.88183       5.721087  67.49145       5.784955  540.2653 22.51138 534.7460 22.99763 5.519348       32.18157 
1 1 1 19  9  11 o 769.3174 17.73933 139.5171       6.419660  141.1190       7.775895  136.0880       11.37676  773.3286 21.37553 757.9025 31.91068 15.42615       38.40840 
1 1 1 19  9  12 o 322.2249 22.32526 24.63253       3.363101  28.42513       4.695798  20.63853       4.818876  345.2777 29.18492 292.6470 35.74834 52.63071       46.14871 
1 1 1 19  9  13 o 559.3335 17.02198 73.77210       4.478681  78.24679       6.361742  69.37515       6.306244  575.3809 23.50451 541.6382 24.75097 33.74268       34.13316 
1 1 1 19  9  14 f 179.5836 43.27441 8.031772       3.612564  0.3807967      5.629804  13.38736       4.710190  127.4299 54.06095 232.5269 44.68575 -105.0971      70.13845 
1 1 1 19  9  15 o 179.3068 41.35050 8.013143       3.416522  4.861099       4.710707  11.51116       4.962504  150.3871 53.24538 213.9542 50.17614 -63.56711      73.16226 
1 1 1 19  9  16 o 766.6127 20.42715 139.0182       7.366364  166.2307       15.45322  131.0164       8.379700  831.8339 39.49236 743.4274 23.96186 88.40656       46.19326 
1 1 1 19  9  17 o 402.9052 24.43752 38.68309       4.609691  39.94418       5.837157  36.59335       7.514080  407.9500 30.64145 386.9536 41.95269 20.99637       51.95120 
1 1 1 19  9  18 o 105.0016 42.39157 1.289004       3.233284  6.489875       4.651964  -3.571310      4.497078  163.4323 52.96830 92.98247 43.11369 70.44980       68.29664 
1 1 1 19  9  19 o 178.9670 42.54449 8.121710       3.529088  10.95335       4.967886  5.237020       5.014205  206.1582 51.40425 153.3692 54.86602 52.78894       75.18429 
1 1 1 19  9  20 o 289.9717 27.78411 20.32658       3.743446  20.79800       5.270191  19.84653       5.318199  289.3940 39.76481 282.0079 41.31507 7.386139       57.34261 
1 1 1 19  9  21 o 202.3283 44.19265 10.51038       4.088310  15.45185       6.646743  7.503167       5.185178  240.2582 59.19600 171.9472 55.93407 68.31102       81.44193 
1 1 1 19  9  22 o 366.2948 25.19619 32.34420       4.315046  36.44453       6.176487  28.43488       6.030910  384.9814 34.47106 337.8014 38.64912 47.17996       51.78811 
1 1 1 19  9  23 o 277.5379 30.81996 18.93505       3.955733  20.94733       5.688739  17.05114       5.504319  286.2747 43.62276 255.9157 47.47118 30.35904       64.47060 
1 1 1 19  9  24 o 379.2052 35.54730 35.73455       6.266888  45.54103       10.04966  29.49465       8.016485  416.1812 52.50157 333.7924 52.81243 82.38885       74.46857 
1 1 1 19  9  25 o 188.5104 44.02972 9.353621       3.833743  9.243849       5.242849  9.479765       5.620267  184.1743 55.74204 186.0667 57.97344 -1.892380      80.42447 
1 1 1 19  9  26 o 244.2357 36.73395 15.17147       4.089655  19.25976       5.762287  11.02199       5.805245  269.7571 47.12529 198.0100 58.36108 71.74712       75.01205 
1 1 1 19  9  27 o 197.9083 42.17805 10.37244       3.806538  6.962908       5.210941  14.27346       5.573882  161.3562 56.08500 226.4034 53.23225 -65.04724      77.32528 
1 1 1 19  9  28 o 115.7633 45.70276 2.558419       3.674576  -1.802319      5.900512  5.321024       4.696444  111.1718 50.74973 144.6259 52.90947 -33.45406      73.31403 
1 1 1 19  9  29 o 140.3185 47.67622 5.297327       3.758968  1.695898       6.534061  7.078849       4.595592  129.8935 56.68497 158.0941 52.71821 -28.20058      77.41057 
1 1 1 19  9  30 o 94.66328 42.64085 -0.7376285     4.000126  2.573425       5.630772  -4.111177      5.683663  126.4042 53.85877 97.90886 46.36005 28.49532       71.06350 
1 1 1 19  9  31 o 119.9916 53.17810 1.423603       5.959250  0.000000       0.000000  1.423603       5.959250  ?        ?        119.9916 53.17810 0.000000       53.17810 
1 1 1 19  11 0  o 811.6579 12.64822 155.0865       4.829162  168.4602       11.60891  152.2880       5.310445  844.2929 29.23002 804.2180 14.03744 40.07489       32.42598 
1 1 1 19  11 1  o 1315.014 17.41843 407.4100       10.77479  0.000000       0.000000  407.4100       10.77479  ?        ?        1315.014 17.41843 0.000000       17.41843 
1 1 1 19  11 2  o 596.2708 15.82477 83.73956       4.438644  0.000000       0.000000  83.73956       4.438644  ?        ?        596.2708 15.82477 0.000000       15.82477 
1 1 1 19  11 3  o 312.8056 20.34591 23.16416       2.977506  22.58918       6.667485  23.30738       3.327759  304.3557 48.17445 313.5262 22.71769 -9.170532      53.26229 
1 1 1 19  11 4  o 342.6411 19.78990 27.76664       3.176140  31.33175       6.913359  26.81285       3.575852  360.9188 41.47385 336.3824 22.73177 24.53647       47.29496 
1 1 1 19  11 5  o 783.0622 13.86783 144.3837       5.108274  135.9127       7.004221  154.0091       7.466278  759.3194 19.60948 808.2886 19.63670 -48.96918      27.75124 
1 1 1 19  11 6  o 852.1668 13.99347 171.0014       5.609439  170.1830       7.808187  171.8743       8.063881  849.6511 19.53621 853.8077 20.07774 -4.156555      28.01391 
1 1 1 19  11 7  o 1509.090 17.21441 536.6304       12.22015  512.9976       16.48093  565.4894       18.21230  1474.250 23.76519 1547.543 25.01801 -73.29346      34.50631 
1 1 1 19  11 8  o 542.4316 17.33033 69.34097       4.422023  71.55085       5.524002  65.39834       7.378422  550.7272 21.32298 524.9058 30.00676 25.82141       36.81134 
1 1 1 19  11 9  f 252.6307 25.02082 15.22314       2.934326  18.80693       4.017444  11.12499       4.296082  280.1486 31.00525 212.1563 44.46957 67.99225       54.21133 
1 1 1 19  11 10 o 534.9285 17.99019 67.46835       4.526900  79.87515       7.414299  60.09429       5.716019  581.1296 27.12238 504.3582 24.09269 76.77142       36.27784 
1 1 1 19  11 11 o 324.1357 24.20884 24.96870       3.664581  28.13033       4.687671  20.00000       5.876554  343.3786 29.30159 285.8593 45.20530 57.51932       53.87117 
1 1 1 19  11 12 o 801.6205 17.98145 151.5962       6.780517  145.8239       7.977664  166.6171       12.86911  785.6886 21.58520 837.4980 32.66595 -51.80945      39.15335 
1 1 1 19  11 13 o 266.2018 28.92965 17.00843       3.564307  14.32818       5.341969  19.15913       4.785240  239.6436 49.03995 281.0297 37.10516 -41.38615      61.49561 
1 1 1 19  11 14 o 693.7124 16.57485 113.5679       5.408767  117.1266       7.599956  109.9154       7.699314  703.4142 22.96839 681.2106 24.02710 22.20367       33.23926 
1 1 1 19  11 15 o 222.9893 33.39085 12.12697       3.394761  7.818969       4.692776  16.85629       4.916895  177.3272 52.52799 261.6356 41.32277 -84.30833      66.83382 
1 1 1 19  11 16 o 528.2957 18.19036 65.99409       4.520513  64.88465       6.383756  67.10998       6.402225  522.3966 25.97805 531.3591 25.61377 -8.962463      36.48184 
1 1 1 19  11 17 o 247.0778 37.32646 15.02884       4.203059  17.81808       8.401274  14.09766       4.854208  259.6299 67.98604 236.8292 45.22200 22.80074       81.65250 
1 1 1 19  11 18 o 342.5289 24.03427 28.06292       3.848033  28.58730       5.447872  27.54081       5.436028  342.8448 34.23791 336.2443 34.87550 6.600464       48.87264 
1 1 1 19  11 19 o 418.0113 20.59974 41.51795       4.050597  46.27011       5.872947  37.20643       5.594043  438.3447 28.63945 392.2322 30.56008 46.11255       41.88242 
1 1 1 19  11 20 o 263.4876 30.71535 16.95842       3.735569  19.63315       5.308325  14.33434       5.257822  279.7501 41.60499 235.4421 49.06507 44.30794       64.33006 
1 1 1 19  11 21 o 339.0075 30.42329 28.00508       4.799959  29.52581       5.789411  24.66112       8.584983  345.7610 36.12858 301.9403 62.50236 43.82062       72.19292 
1 1 1 19  11 22 o 339.6093 26.76344 27.94706       4.240889  31.19830       6.005063  24.71210       5.990009  354.6206 36.52085 312.7328 41.76118 41.88779       55.47763 
1 1 1 19  11 23 o 170.8765 44.84499 7.638526       3.650098  1.773566       5.075936  13.91892       5.252632  125.4661 52.14909 229.1922 50.11670 -103.7261      72.32712 
1 1 1 19  11 24 o 284.1640 30.55817 19.89647       4.020557  17.80480       5.554143  22.19915       5.827558  260.8678 46.98962 293.9337 43.45729 -33.06592      64.00438 
1 1 1 19  11 25 o 152.1626 58.66927 5.135471       5.939822  0.3014269      9.342240  8.415577       7.695549  148.8187 66.23660 180.2120 67.39793 -31.39330      94.49746 
1 1 1 19  11 26 o 354.2418 26.68144 30.69577       4.413445  25.52940       6.127522  36.26545       6.362200  313.7250 42.62445 379.3826 36.08471 -65.65759      55.84756 
1 1 1 19  11 27 o 131.6908 48.03568 4.159153       3.866979  4.173603       6.394355  4.150821       4.855474  145.3938 59.27905 136.8620 52.96757 8.531784       79.49571 
1 1 1 19  11 28 o 123.1953 46.99799 3.394521       3.785068  -0.1174197     6.367404  5.313674       4.706995  121.5593 54.35048 143.8169 52.91495 -22.25760      75.85490 
1 1 1 19  11 29 o 178.4613 49.96463 9.192328       4.360707  6.328776       6.416663  11.64982       5.944329  153.7302 60.48860 194.2439 59.47390 -40.51366      84.82933 
1 1 1 19  11 30 o 149.6664 48.75140 6.489540       3.938500  9.687872       5.450000  2.993460       5.698037  175.6349 57.35494 128.0266 54.35498 47.60829       79.01933 
1 1 1 19  13 0  o 508.3790 14.19135 60.86605       3.393755  0.000000       0.000000  60.86605       3.393755  ?        ?        508.3790 14.19135 0.000000       14.19135 
1 1 1 19  13 1  o 460.6788 14.67317 49.98404       3.179739  0.000000       0.000000  49.98404       3.179739  ?        ?        460.6788 14.67317 0.000000       14.67317 
1 1 1 19  13 2  o 438.5316 14.89909 45.29568       3.073477  54.57789       7.637117  43.50183       3.357353  478.7465 34.13573 429.6863 16.61025 49.06012       37.96246 
1 1 1 19  13 3  o 887.0906 14.01164 185.3215       5.846910  185.7313       12.62355  185.2095       6.597233  886.0126 30.28812 886.6687 15.81726 -0.6561279     34.16952 
1 1 1 19  13 4  f 333.9656 20.07676 26.39669       3.139369  13.23722       6.423883  30.52570       3.598336  230.2746 59.02866 359.0827 21.40000 -128.8081      62.78807 
1 1 1 19  13 5  o 1200.193 17.94080 339.5381       10.12889  357.3127       19.38481  332.8627       11.87960  1227.867 33.56145 1187.813 21.26105 40.05469       39.72913 
1 1 1 19  13 6  o 448.6263 19.69047 47.46743       4.155374  45.63021       7.955706  48.15668       4.872891  436.4043 39.17146 451.0620 23.04267 -14.65771      45.44632 
1 1 1 19  13 7  f 482.1815 16.79395 54.79852       3.809190  54.07627       4.665515  56.24257       6.597063  478.7325 20.71750 486.6468 28.94888 -7.914337      35.59849 
1 1 1 19  13 8  o 592.4706 14.71069 82.70205       4.099862  81.99602       5.536763  83.55912       6.100272  589.5119 19.96614 594.9249 21.79806 -5.412964      29.56014 
1 1 1 19  13 9  o 641.8813 14.73725 97.08599       4.449800  93.55937       5.958706  101.5322       6.690630  629.6102 20.11921 655.7043 21.69150 -26.09412      29.58554 
1 1 1 19  13 10 o 681.7427 14.95517 109.5455       4.796021  107.2405       6.574203  112.1679       7.012155  673.8783 20.73922 689.0634 21.63331 -15.18506      29.96857 
1 1 1 19  13 11 o 482.0653 17.12594 54.82623       3.883556  56.38964       5.464660  53.23092       5.520115  488.1923 23.79594 473.5541 24.86747 14.63821       34.41857 
1 1 1 19  13 12 o 646.8823 17.38061 98.77117       5.288828  117.0928       8.700021  88.03143       6.660942  702.7214 26.31890 609.8549 23.21880 92.86652       35.09697 
1 1 1 19  13 13 o 343.2496 25.52665 28.10010       4.092185  29.28966       4.785417  24.86326       7.893831  349.7110 29.36158 314.7273 55.33940 34.98376       62.64624 
1 1 1 19  13 14 o 417.7729 19.64420 41.28734       3.860502  44.54518       5.312749  37.64272       5.619287  432.1995 26.25594 396.2173 30.38079 35.98221       40.15429 
1 1 1 19  13 15 o 365.7782 21.42740 31.81729       3.670772  31.09821       4.997532  32.65978       5.409408  359.7667 29.79838 368.2921 31.52787 -8.525421      43.38145 
1 1 1 19  13 16 o 633.6558 17.27596 94.97304       5.149499  100.1123       7.184729  89.54422       7.384357  649.0117 23.53361 613.2165 25.59939 35.79517       34.77297 
1 1 1 19  13 17 f 99.75892 40.96231 0.9271785      3.080462  1.825140       4.398286  0.6260287E-01  4.315747  121.8161 49.35027 109.1051 46.83610 12.71102       68.03726 
1 1 1 19  13 18 o 314.5359 46.33359 24.90785       6.650078  0.000000       0.000000  24.90785       6.650078  ?        ?        314.5359 46.33359 0.000000       46.33359 
1 1 1 19  13 19 f 317.6070 25.75974 24.30307       3.815426  23.33877       5.272010  25.36358       5.528798  307.2863 37.23234 320.4391 37.38145 -13.15280      52.76002 
1 1 1 19  13 20 o 474.1993 34.95704 55.09902       7.742688  62.15815       11.95590  50.00000       10.16132  491.9666 52.47237 442.7657 49.64203 49.20087       72.23351 
1 1 1 19  13 21 o 124.4585 44.23703 3.484468       3.254611  4.688519       4.432532  2.075950       4.794138  143.1132 51.54437 125.5642 51.27659 17.54899       72.70564 
1 1 1 19  13 22 o 270.3741 35.96328 18.24305       4.460508  20.21441       5.070127  11.49227       9.382377  283.4269 39.06670 206.5740 74.90314 76.85287       84.47892 
1 1 1 19  13 23 o 143.2698 45.95586 5.193730       3.508626  7.402681       4.862298  2.793939       5.067985  168.0905 54.11863 131.8473 53.12814 36.24319       75.83816 
1 1 1 19  13 24 o 223.9161 36.55699 12.71340       3.717678  11.37038       5.174657  14.14610       5.344642  204.3288 53.28490 229.5024 50.84503 -25.17357      73.65118 
1 1 1 19  13 25 o 355.1093 25.37211 30.68671       4.210355  29.09806       5.785355  32.47554       6.139057  339.5999 36.80437 358.8835 36.88970 -19.28360      52.10961 
1 1 1 19  13 26 o 298.5031 29.97579 22.12964       4.152235  13.78419       6.348297  28.36926       5.489226  218.1633 59.99117 334.9968 35.36854 -116.8335      69.64104 
1 1 1 19  13 27 o 82.54791 38.03538 -1.980819      3.419996  -9.236030      5.547379  2.467443       4.343682  84.00995 41.19756 120.3256 48.93515 -36.31561      63.96787 
1 1 1 19  13 28 o 88.50710 42.74839 -6.566588      5.384516  -6.566588      5.384516  0.000000       0.000000  88.50710 42.74839 ?        ?        0.000000       42.74839 
1 1 1 19  13 29 o 127.3297 53.71131 2.853151       5.506659  2.853151       5.506659  0.000000       0.000000  127.3297 53.71131 ?        ?        0.000000       53.71131 
1 1 1 19  13 30 o 92.61005 41.34094 -0.2468494     3.668284  -0.4901903     4.981429  0.4143877E-01  5.422004  104.0535 47.16101 110.0744 49.60777 -6.020889      68.44773 
1 1 1 19  15 0  o 703.8021 15.97958 116.7375       5.290359  0.000000       0.000000  116.7375       5.290359  ?        ?        703.8021 15.97958 0.000000       15.97958 
1 1 1 19  15 1  o 262.3653 16.90072 16.29328       2.074743  15.48157       6.300181  16.39201       2.197308  248.9277 55.24605 263.0647 17.86241 -14.13704      58.06197 
1 1 1 19  15 2  o 943.8404 13.33799 209.8179       5.921862  214.4471       13.72840  208.7597       6.563942  951.3537 30.67669 941.3027 14.82403 10.05096       34.07068 
1 1 1 19  15 3  o 448.8769 14.57197 47.47102       3.076911  48.98930       7.765147  47.18823       3.351228  452.5002 36.79935 447.4647 15.92121 5.035492       40.09585 
1 1 1 19  15 4  o 84.76080 35.89733 0.1011480      2.475482  -7.051130      6.322418  1.396149       2.690271  104.0822 49.16609 99.90449 39.21226 4.177681       62.88804 
1 1 1 19  15 5  o 221.5660 26.75913 11.78250       2.732487  15.53211       6.445006  10.96081       3.017068  248.9044 56.35604 212.8242 31.05096 36.08029       64.34412 
1 1 1 19  15 6  o 189.2362 40.05397 8.857686       3.454328  27.76160       7.200489  3.206410       3.936946  337.2950 46.62895 130.3551 48.31379 206.9399       67.14523 
1 1 1 19  15 7  o 271.3663 26.63323 17.60132       3.355955  24.06659       7.415331  15.93602       3.763425  311.9055 52.39836 257.1667 31.78663 54.73874       61.28603 
1 1 1 19  15 8  o 560.1107 14.69535 73.95228       3.871891  74.03487       5.305361  73.85815       5.663532  559.8777 20.14431 559.0428 21.53639 0.8348999      29.48914 
1 1 1 19  15 9  o 145.9550 37.38752 5.280823       2.578350  3.593245       3.380484  7.627964       3.986728  129.1370 45.15668 174.9731 47.30447 -45.83609      65.39754 
1 1 1 19  15 10 o 242.6562 23.77255 14.07519       2.678690  11.58459       3.479947  17.69673       4.196304  217.6560 35.18936 270.4308 33.71949 -52.77478      48.73700 
1 1 1 19  15 11 o 579.1895 16.92806 79.20384       4.612083  78.15102       6.845760  80.07888       6.241043  573.9626 25.35530 581.4717 22.81704 -7.509094      34.11023 
1 1 1 19  15 12 o 267.6418 23.90999 17.12172       2.978558  13.20029       3.907180  22.56258       4.602298  231.8521 37.07380 305.7067 32.50223 -73.85458      49.30377 
1 1 1 19  15 13 o 477.9397 17.27743 53.98786       3.884377  52.17605       5.172970  56.33014       5.881703  468.3028 23.55770 486.0848 25.81556 -17.78198      34.94865 
1 1 1 19  15 14 o 217.3791 55.62002 12.16683       5.710809  14.27467       8.632095  10.52616       7.615672  233.7930 71.68365 205.3406 67.83574 28.45236       98.69263 
1 1 1 19  15 15 o 687.8392 17.94749 111.9992       5.807109  108.6378       7.100855  118.7872       10.09060  676.2504 22.32203 704.1302 30.46456 -27.87988      37.76722 
1 1 1 19  15 16 o 257.5309 26.20247 15.99393       3.130033  16.06504       4.274312  15.91171       4.596275  255.1813 36.66085 252.8684 39.96882 2.312897       54.23582 
1 1 1 19  15 17 o 549.5193 17.29484 71.55254       4.470631  72.92626       6.135406  69.99756       6.527663  553.0162 23.58502 541.1252 25.64429 11.89099       34.84082 
1 1 1 19  15 18 o 147.0271 42.24377 5.470818       3.076390  8.025295       4.175535  2.437791       4.549873  176.1754 48.73943 126.7885 50.60141 49.38683       70.25691 
1 1 1 19  15 19 o 299.4485 37.58183 22.27322       5.177212  0.000000       0.000000  22.27322       5.177212  ?        ?        299.4485 37.58183 0.000000       37.58183 
1 1 1 19  15 20 o 239.4731 32.28651 14.16025       3.544327  11.39443       4.828130  17.39276       5.219598  208.1476 49.94774 261.0043 44.08303 -52.85664      66.61900 
1 1 1 19  15 21 o 340.4942 24.18641 27.94305       3.848717  25.96848       5.248506  30.23990       5.660645  323.9381 34.99953 349.8772 34.85792 -25.93912      49.39678 
1 1 1 19  15 22 o 112.2397 45.19830 1.809052       3.665461  3.296849       4.572564  -0.8659335     6.131245  131.8817 51.30061 121.1646 53.80724 10.71709       74.34361 
1 1 1 19  15 23 o 202.8094 44.57123 10.78945       4.136165  12.23302       4.777379  6.468491       8.265342  214.4846 48.48909 172.0205 68.34348 42.46410       83.79752 
1 1 1 19  15 24 o 88.44995 39.45818 -0.8921203     3.335934  0.3101474      4.624197  -2.196821      4.817163  111.0465 48.07767 100.3263 45.82053 10.72021       66.41524 
1 1 1 19  15 25 o 144.3771 46.38963 5.447527       3.574020  12.18490       5.707427  1.101274       4.584084  207.4503 56.81548 114.6293 48.71277 92.82098       74.83938 
1 1 1 19  15 26 o 219.7791 58.47974 14.06659       6.151941  0.000000       0.000000  14.06659       6.151941  ?        ?        219.7791 58.47974 0.000000       58.47974 
1 1 1 19  15 27 o 265.8827 30.79145 17.85129       3.779869  20.54103       6.181832  16.24522       4.776876  271.2640 50.29784 245.9882 42.83857 25.27576       66.06827 
1 1 1 19  15 28 o 228.6253 39.40109 13.99521       4.084439  17.43163       5.684283  10.32699       5.872869  246.4763 50.71809 182.6397 59.53342 63.83656       78.20840 
1 1 1 19  17 0  o 411.2433 14.24309 39.86256       2.755322  37.73442       5.391716  40.61477       3.205490  397.7502 29.01710 414.9594 16.42175 -17.20923      33.34165 
1 1 1 19  17 1  o 415.6557 12.93199 40.70702       2.528531  37.81213       6.904446  41.15541       2.717304  396.3537 37.47664 417.8864 13.82327 -21.53268      39.94473 
1 1 1 19  17 2  o 288.6024 15.86633 19.70132       2.145729  21.40904       6.948569  19.52131       2.255987  293.4569 52.25172 287.1813 16.77273 6.275635       54.87775 
1 1 1 19  17 3  o 599.3908 12.90660 84.65206       3.639076  108.0559       10.25509  81.28043       3.892388  674.0200 32.34428 587.2320 14.09085 86.78796       35.28037 
1 1 1 19  17 4  o 547.2056 13.62163 70.57188       3.506298  73.33532       9.081622  70.08780       3.801021  553.5708 35.05655 545.2230 14.82029 8.347778       38.06051 
1 1 1 19  17 5  o 396.3270 19.30861 37.10247       3.599763  43.66825       7.987640  35.42910       4.032479  425.1026 40.43127 386.3821 22.28086 38.72049       46.16410 
1 1 1 19  17 6  o 364.1403 18.66912 31.39889       3.187127  25.32105       7.195618  32.88228       3.554847  320.0622 49.38179 372.4304 20.36833 -52.36816      53.41751 
1 1 1 19  17 7  o 169.2378 40.46856 7.145168       3.178166  7.071939       6.486638  7.168301       3.645743  177.8950 62.53273 169.4178 44.98977 8.477158       77.03520 
1 1 1 19  17 8  o 161.8279 38.96947 6.531618       2.931075  4.200357       6.536631  7.118334       3.279234  157.9589 61.36648 168.7338 41.58237 -10.77487      74.12785 
1 1 1 19  17 9  o 479.0338 15.37201 54.15672       3.463907  56.59911       4.692797  51.23309       5.134336  489.0838 20.39760 464.2715 23.58697 24.81235       31.18345 
1 1 1 19  17 10 o 120.8861 39.32552 3.416002       2.563056  3.046968       3.573149  3.807132       3.678568  124.7452 46.06853 132.9409 47.05379 -8.195709      65.85110 
1 1 1 19  17 11 o 167.7307 32.91696 6.960487       2.504433  7.820610       3.220203  5.643874       3.984117  176.6813 39.71209 152.9586 48.96118 23.72275       63.04163 
1 1 1 19  17 12 o 352.5431 19.48320 29.52266       3.218497  31.41869       4.269259  27.02636       4.898663  362.5522 25.18935 334.5668 31.49690 27.98544       40.33062 
1 1 1 19  17 13 o 367.0389 19.35460 32.00864       3.329871  32.87618       4.418231  30.86792       5.066312  370.6367 25.49650 357.7803 30.39036 12.85645       39.66920 
1 1 1 19  17 14 o 139.0083 42.11882 4.770555       2.992112  1.279512       3.513111  13.99227       5.709790  107.9745 43.97124 232.6093 53.32179 -124.6349      69.11356 
1 1 1 19  17 15 o 120.1398 43.34106 3.057126       3.135522  5.531377       3.510521  -6.703330      6.972439  149.0648 45.71532 109.9995 51.86090 39.06535       69.13352 
1 1 1 19  17 16 o 81.13944 35.83861 -0.6872504     2.684464  1.527811       3.614263  -3.412835      4.009190  110.6783 44.77175 86.39172 40.27633 24.28661       60.22202 
1 1 1 19  17 17 o 162.1760 37.82291 6.673356       2.832435  6.033109       3.712762  7.564814       4.381003  154.4413 46.94503 171.3829 50.74990 -16.94156      69.13312 
1 1 1 19  17 18 o 275.5181 27.90716 18.43794       3.566992  17.01546       5.002819  19.90882       5.087218  259.2922 42.48833 282.2003 39.39684 -22.90811      57.94281 
1 1 1 19  17 19 o 383.8656 20.69424 35.21951       3.722980  32.16624       4.960720  39.15693       5.633370  363.9024 29.22602 401.3602 30.05587 -37.45776      41.92273 
1 1 1 19  17 20 o 225.1879 32.65859 12.57727       3.358552  8.444350       4.443727  18.08332       5.129071  179.1297 50.53910 266.7400 42.28792 -87.61021      65.89741 
1 1 1 19  17 21 o 241.5128 34.89399 14.57425       3.849286  18.84408       4.976736  8.216410       6.072865  272.9141 39.94867 177.6745 60.59772 95.23961       72.58086 
1 1 1 19  17 22 o 629.1122 24.66771 95.33826       7.300056  95.33826       7.300056  0.000000       0.000000  629.1122 24.66771 ?        ?        0.000000       24.66771 
1 1 1 19  17 23 o 169.1449 41.83360 7.510137       3.310014  8.490987       4.534191  6.391036       4.843209  177.2095 51.39269 157.5293 54.10862 19.68018       74.62541 
1 1 1 19  17 24 o 121.6958 47.89211 2.783818       4.023086  1.642093       4.783315  5.543996       7.437324  119.9842 50.30629 160.0756 64.41016 -40.09138      81.72755 
1 1 1 19  17 25 f 128.1335 44.25129 4.098589       3.241438  -0.4408443     4.882004  7.677437       4.334798  108.1216 48.01445 166.7764 50.73230 -58.65474      69.85094 
1 1 1 19  17 26 o 215.8488 34.70155 12.02393       3.404067  16.21879       5.495187  9.411885       4.336250  240.9271 50.11967 182.9060 49.28650 58.02116       70.29324 
1 1 1 19  17 27 o 178.9187 56.29866 9.601665       5.285597  0.000000       0.000000  9.601665       5.285597  ?        ?        178.9187 56.29866 0.000000       56.29866 
1 1 1 19  19 0  o 203.1972 36.56101 10.18151       3.366162  8.956197       4.540669  11.67658       5.015632  188.4609 50.28609 214.8412 50.48441 -26.38036      71.25565 
1 1 1 19  19 1  o 83.75571 32.44934 1.076753       1.823820  7.868609       5.696309  0.3009755      1.925165  180.4616 58.62236 76.80582 32.03596 103.6558       66.80482 
1 1 1 19  19 2  o 340.4183 14.42030 27.33677       2.309173  30.35077       7.004638  26.96927       2.445902  352.1682 43.18819 338.0538 15.38098 14.11438       45.84533 
1 1 1 19  19 3  o 239.0567 17.58937 13.57320       1.964081  14.36088       5.998822  13.47862       2.078652  237.5758 54.79580 238.0648 18.71249 -0.4889984     57.90282 
1 1 1 19  19 4  o 463.4021 14.77834 50.66937       3.221462  47.29489       8.018614  51.31884       3.517840  441.9226 38.97211 466.2300 16.04008 -24.30740      42.14392 
1 1 1 19  19 5  o 828.6126 16.68362 162.1684       6.502961  164.8633       12.65382  161.2013       7.580601  830.6655 32.38368 825.4997 19.52169 5.165771       37.81269 
1 1 1 19  19 6  o 651.9389 17.12828 100.4255       5.252788  115.0714       10.94449  96.04208       5.987469  693.3751 33.55506 637.0267 19.98096 56.34839       39.05357 
1 1 1 19  19 7  o 97.92092 40.08106 0.8865600      2.937765  10.14863       6.807468  -1.233130      3.256625  201.3782 63.95130 87.21747 38.94164 114.1608       74.87469 
1 1 1 19  19 8  o 205.4958 34.25854 10.38726       3.195033  4.429251       6.815471  12.06542       3.617119  160.2877 62.55324 221.3922 35.96654 -61.10452      72.15607 
1 1 1 19  19 9  o 349.8797 24.18652 29.23262       3.956284  0.000000       0.000000  29.23262       3.956284  ?        ?        349.8797 24.18652 0.000000       24.18652 
1 1 1 19  19 10 o 768.4459 18.31822 139.7910       6.621646  131.1237       12.69370  143.0312       7.761313  737.1528 36.60676 776.4348 21.25009 -39.28204      42.32755 
1 1 1 19  19 11 o 298.0981 31.69634 21.55815       4.376468  0.000000       0.000000  21.55815       4.376468  ?        ?        298.0981 31.69634 0.000000       31.69634 
1 1 1 19  19 12 f 278.1547 21.55222 18.49117       2.797976  16.11163       3.584160  22.20387       4.476993  257.5015 30.16090 302.2832 31.97011 -44.78168      43.95188 
1 1 1 19  19 13 o 347.2186 20.55031 28.73616       3.341591  25.64268       3.973654  36.20690       6.175163  326.5811 26.08365 385.5922 34.40625 -59.01108      43.17576 
1 1 1 19  19 14 o 245.5092 23.20702 14.49089       2.648352  13.04926       3.337653  16.94143       4.351549  230.6946 31.58589 261.8458 36.30571 -31.15123      48.12247 
1 1 1 19  19 15 o 368.0667 18.73576 32.24178       3.233175  34.30684       4.272270  29.47381       4.946205  378.2652 24.13593 348.4845 30.47962 29.78076       38.87866 
1 1 1 19  19 16 o 214.2469 32.63034 11.34477       3.184691  12.86400       3.535547  4.809751       7.332751  227.9690 34.00996 162.4781 64.42922 65.49092       72.85466 
1 1 1 19  19 17 f 163.5915 39.37351 6.827739       2.993370  8.168847       4.017663  5.154422       4.487772  177.4638 47.27764 148.2162 52.01801 29.24754       70.29259 
1 1 1 19  19 18 o 329.2526 21.37251 25.96357       3.292295  24.25125       4.286279  28.42741       5.141569  315.7091 29.19235 340.7198 32.47257 -25.01068      43.66533 
1 1 1 19  19 19 f 260.7067 25.07877 16.46188       3.037638  13.19098       3.947080  21.21322       4.757186  228.7486 38.01598 292.4535 35.29339 -63.70490      51.87329 
1 1 1 19  19 20 o 265.3513 28.65698 17.23238       3.520225  19.44275       4.339489  12.97860       6.019960  280.0829 33.60801 218.0603 57.76667 62.02254       66.83178 
1 1 1 19  19 21 o 375.3233 21.27509 33.83102       3.740730  33.57030       5.141326  34.12429       5.452782  370.2516 29.77117 372.4868 31.41301 -2.235138      43.27932 
1 1 1 19  19 22 o 458.5040 19.33410 50.26105       4.170003  49.74041       5.862504  50.79423       5.932672  451.5034 27.73705 456.2549 27.77446 -4.751556      39.25257 
1 1 1 19  19 23 o 149.4846 41.47037 5.887958       3.018494  3.498255       4.161870  8.540050       4.384408  128.5338 49.22271 176.8129 50.31110 -48.27917      70.38524 
1 1 1 19  19 24 o 156.2037 41.50413 6.511545       3.101579  9.384662       5.152670  4.879033       3.884042  181.9585 55.30292 138.5311 48.40541 43.42743       73.49488 
1 1 1 19  19 25 o 131.6623 43.52903 4.528679       3.135584  8.341261       4.992620  2.045310       4.029392  170.7176 54.82596 114.2489 46.87293 56.46867       72.13153 
1 1 1 19  19 26 o 323.0914 29.08451 26.22326       4.372970  26.77765       6.244272  25.68966       6.126050  315.0007 43.28455 308.3259 43.44209 6.674835       61.32510 
1 1 1 19  21 0  o 281.6766 21.40100 18.92450       2.814455  16.04296       4.943778  20.30618       3.423348  253.7377 42.95210 291.0658 25.25318 -37.32817      49.82575 
1 1 1 19  21 1  o 168.4446 24.80682 6.888044       1.906755  5.737218       5.904168  7.022048       2.014712  163.1323 59.37774 169.8482 26.04750 -6.715958      64.83971 
1 1 1 19  21 2  o 633.0891 12.63618 94.54515       3.763136  77.08086       9.048744  98.19726       4.137941  565.4764 34.17828 645.0456 13.63718 -79.56915      36.79847 
1 1 1 19  21 3  o 350.4270 15.51848 29.01118       2.558092  36.35553       7.579992  28.06720       2.717521  384.6398 42.60920 344.5508 16.76681 40.08899       45.78941 
1 1 1 19  21 4  o 437.0120 18.34881 45.20282       3.771990  48.15696       8.084630  44.38083       4.264603  444.6017 39.05202 432.6064 20.95638 11.99527       44.31964 
1 1 1 19  21 5  o 107.2345 40.27400 2.126684       2.753516  -0.8778241     6.308704  2.833737       3.060407  126.2028 55.36959 117.6629 42.76164 8.539963       69.95963 
1 1 1 19  21 6  o 484.2157 18.48670 55.51900       4.210828  42.18193       8.293901  60.15064       4.887599  413.9164 43.23488 503.5939 20.63221 -89.67749      47.90556 
1 1 1 19  21 7  o 425.9039 19.36194 42.99144       3.879090  50.92153       8.427626  40.85975       4.369465  456.4617 39.64295 414.0631 22.51792 42.39862       45.59189 
1 1 1 19  21 8  o 632.5866 17.87616 94.75871       5.319412  89.77409       11.16483  96.22249       6.050252  606.7699 39.32817 636.8605 20.19574 -30.09058      44.21055 
1 1 1 19  21 9  o 505.7373 19.16868 60.64665       4.560227  59.00714       9.609839  61.12315       5.180691  489.7607 42.12203 507.1406 21.71651 -17.37994      47.39063 
1 1 1 19  21 10 o 360.4053 22.88577 31.03939       3.859830  31.51011       8.397481  30.91331       4.346144  352.0017 52.30502 358.8774 25.91910 -6.875763      58.37478 
1 1 1 19  21 11 o 219.7166 30.90632 11.82469       3.106024  5.939358       6.960905  13.28779       3.470696  168.6449 63.87857 232.6527 32.60891 -64.00774      71.72038 
1 1 1 19  21 12 o 274.5162 23.00882 18.07941       2.943794  19.13050       3.482053  15.44590       5.511653  281.5321 26.60833 245.0790 49.51280 36.45305       56.20962 
1 1 1 19  21 13 f 121.3344 37.42894 3.600050       2.349311  1.406704       2.953544  7.378162       3.876387  101.9382 40.74037 169.6030 46.97549 -67.66475      62.18098 
1 1 1 19  21 14 o 324.2024 19.55790 25.06302       2.968723  23.11041       3.789257  28.16644       4.777130  309.5561 26.27032 340.7003 30.11769 -31.14423      39.96504 
1 1 1 19  21 15 o 400.9114 17.68087 38.13605       3.334428  31.05906       4.212012  50.01727       5.457523  359.4017 25.07085 456.3128 25.52753 -96.91104      35.77991 
1 1 1 19  21 16 o 375.3878 19.90573 33.62430       3.502458  40.54697       5.096070  27.42686       4.821752  410.1227 26.55773 335.4575 30.90360 74.66519       40.74733 
1 1 1 19  21 17 o 457.8656 20.10213 49.93969       4.329616  49.82442       4.824991  50.41618       9.809775  456.6189 22.46329 445.3049 47.56682 11.31396       52.60420 
1 1 1 19  21 18 o 367.3976 25.67101 32.60924       4.408699  32.60924       4.408699  0.000000       0.000000  367.3976 25.67101 ?        ?        0.000000       25.67101 
1 1 1 19  21 19 o 70.90112 33.14249 -2.445894      2.743453  -1.429268      3.255931  -4.934602      5.094264  84.64758 38.26802 93.43365 44.13511 -8.786079      58.41532 
1 1 1 19  21 20 o 243.5759 24.65963 14.43443       2.786533  14.97982       3.671482  13.69345       4.279540  245.2332 32.63723 230.7465 40.92549 14.48676       52.34582 
1 1 1 19  21 21 o 173.7215 34.58569 7.708079       2.726955  10.04004       3.648851  4.757819       4.104173  196.2692 40.85054 139.9602 49.68384 56.30893       64.32146 
1 1 1 19  21 22 o 378.2416 19.64239 34.39125       3.482857  31.19435       4.892316  37.67640       4.959374  355.3789 29.53286 392.2294 27.04453 -36.85049      40.04493 
1 1 1 19  21 23 o 105.2321 40.60480 2.151255       2.846823  -1.610880      4.305168  5.074522       3.794959  95.93202 43.62064 140.0422 47.90236 -44.11017      64.78732 
1 1 1 19  21 24 o 140.7957 42.70617 5.322974       3.074940  9.530322       4.930088  2.644173       3.933875  181.8246 53.83509 117.9358 47.05676 63.88878       71.50214 
1 1 1 19  23 0  o 369.4076 16.67380 32.29869       2.897408  30.98200       5.314588  32.85555       3.456212  357.4993 31.93905 371.5787 19.84515 -14.07938      37.60230 
1 1 1 19  23 1  o 243.8451 18.32665 14.16853       2.086788  18.10642       6.041686  13.63510       2.223639  266.3341 50.06171 238.8919 19.97079 27.44218       53.89812 
1 1 1 19  23 2  o 230.1331 21.77049 12.69740       2.328766  2.662902       5.794772  14.63014       2.543168  140.0651 56.67976 247.0984 22.11321 -107.0333      60.84068 
1 1 1 19  23 3  o 653.3040 12.62920 100.7449       3.881149  107.5505       10.17791  99.58685       4.198384  668.3976 32.37088 649.3245 13.74520 19.07318       35.16824 
1 1 1 19  23 4  o 655.4126 16.24181 101.6366       5.007473  101.5458       9.954074  101.6674       5.793991  648.4960 32.73632 654.8503 18.80903 -6.354309      37.75508 
1 1 1 19  23 5  o 536.3481 16.96628 68.10473       4.280581  79.31035       9.493836  65.24543       4.795715  571.5265 35.48850 524.4331 19.43989 47.09338       40.46410 
1 1 1 19  23 6  o 175.8269 22.27879 7.467612       1.801329  6.471463       6.928809  7.539821       1.865474  172.3131 64.04891 176.5343 23.01135 -4.221191      68.05722 
1 1 1 19  23 7  f 515.5623 14.12140 62.81030       3.424746  0.000000       0.000000  62.81030       3.424746  ?        ?        515.5623 14.12140 0.000000       14.12140 
1 1 1 19  23 8  o 306.1675 19.75944 22.34263       2.830601  0.000000       0.000000  22.34263       2.830601  ?        ?        306.1675 19.75944 0.000000       19.75944 
1 1 1 19  23 9  o 470.8447 14.96380 52.42654       3.314278  58.20452       9.070675  51.53629       3.560459  486.6536 39.97657 466.6089 16.22122 20.04474       43.14225 
1 1 1 19  23 10 o 577.8088 14.96093 78.96242       4.066419  90.36861       10.34735  76.87907       4.422221  608.9785 36.28547 569.7943 16.49882 39.18420       39.86033 
1 1 1 19  23 11 o 408.5947 25.31090 40.05668       4.840902  36.56362       8.173372  41.94412       6.008062  381.5059 46.50644 416.1632 30.91107 -34.65729      55.84213 
1 1 1 19  23 12 o 231.6355 32.64815 13.20746       3.458727  15.89477       7.327450  12.43706       3.923300  242.8213 63.44830 222.6600 38.87191 20.16135       74.40909 
1 1 1 19  23 13 o 204.2011 38.86396 10.51832       3.596761  13.92985       7.688668  9.562605       4.069498  226.2961 67.28222 192.5490 45.62780 33.74709       81.29449 
1 1 1 19  23 14 o 241.8579 23.36800 14.10120       2.625469  13.94449       3.415126  14.32765       4.105393  238.2640 31.22181 239.3447 37.71202 -1.080688      48.95914 
1 1 1 19  23 15 o 613.8014 22.64054 90.02508       6.537083  0.000000       0.000000  90.02508       6.537083  ?        ?        613.8014 22.64054 0.000000       22.64054 
1 1 1 19  23 16 o 360.3159 17.73103 30.85514       3.005292  26.00938       3.772870  39.26716       4.970972  328.3834 24.60308 403.1606 26.35669 -74.77725      36.05532 
1 1 1 19  23 17 o 120.3939 38.54944 3.553009       2.469668  3.554274       3.216369  3.551191       3.855015  124.5803 44.00882 128.8892 47.80089 -4.308884      64.97462 
1 1 1 19  23 18 o 90.94980 38.57930 0.3644096      2.866415  0.3074466      3.163424  0.6257432      6.775769  94.55798 40.33140 133.2605 57.94610 -38.70251      70.60009 
1 1 1 19  23 19 o 187.9176 31.85156 8.873084       2.715014  6.757459       3.620494  11.59154       4.104023  160.0170 45.78337 210.7006 42.86590 -50.68359      62.71844 
1 1 1 19  23 20 o 63.90417 30.09175 -2.332589      2.334282  -2.186612      3.320375  -2.475237      3.282301  80.85176 37.33248 78.83943 36.65073 2.012329       52.31625 
1 1 1 19  23 21 o 321.6859 20.06580 24.94382       3.021250  27.77757       4.377658  22.36645       4.174934  335.8066 27.96729 300.0905 29.97630 35.71613       40.99693 
1 1 1 19  23 22 o 92.82719 38.18299 1.038743       2.682467  -1.671819      4.139105  3.001614       3.522270  93.48062 42.60829 118.5838 45.31359 -25.10318      62.19958 
1 1 1 19  25 0  o 219.2940 25.27531 11.63414       2.559584  12.50730       4.720869  11.27059       3.046184  220.9290 46.87717 214.2765 31.13215 6.652435       56.27326 
1 1 1 19  25 1  o 181.0515 27.75682 8.025719       2.288569  14.26576       6.119622  7.011120       2.467620  233.0435 56.42593 167.8369 32.42884 65.20662       65.08084 
1 1 1 19  25 2  o 117.6303 33.59912 3.428841       1.951572  1.181035       5.424903  3.762984       2.091602  127.2994 53.48392 122.9705 34.66566 4.328835       63.73569 
1 1 1 19  25 3  o 308.9513 16.43581 22.66043       2.380047  12.42271       6.448897  24.27477       2.560830  216.7223 60.79115 319.6791 17.09123 -102.9568      63.14803 
1 1 1 19  25 4  f 81.12097 35.33786 -0.3508358     2.529296  -0.8142093     5.668151  -0.2356283     2.826286  118.9802 52.33516 86.74766 37.57203 32.23251       64.42535 
1 1 1 19  25 5  f 237.7074 17.83561 13.46721       1.979804  25.99881       6.818148  12.31329       2.068947  321.3041 46.45987 226.9234 19.57361 94.38074       50.41474 
1 1 1 19  25 6  o 154.1677 25.31233 5.820251       1.771944  13.29073       6.507209  5.221953       1.841533  223.8073 60.40538 145.2711 27.96312 78.53616       66.56385 
1 1 1 19  25 7  o 253.9038 17.07595 15.34157       2.027642  0.000000       0.000000  15.34157       2.027642  ?        ?        253.9038 17.07595 0.000000       17.07595 
1 1 1 19  25 8  o 221.8286 18.43434 11.75345       1.906173  11.98276       6.596221  11.73255       1.991124  212.3980 62.09894 221.4662 19.30575 -9.068176      65.03069 
1 1 1 19  25 9  o 361.9524 14.63340 30.98853       2.491529  21.27527       7.689375  32.12795       2.633615  283.4189 59.56768 368.4655 15.19449 -85.04657      61.47504 
1 1 1 19  25 10 o 243.2394 19.51634 14.14854       2.214261  15.81748       6.893542  13.95654       2.338164  242.9492 60.53894 241.3047 20.80196 1.644440       64.01316 
1 1 1 19  25 11 o 202.8695 26.23972 10.02354       2.445383  17.70809       7.377348  9.074996       2.591917  256.1534 61.91180 191.9580 29.66031 64.19545       68.64986 
1 1 1 19  25 12 o 259.3267 23.58246 16.20607       2.845332  12.26813       7.404954  16.88820       3.081931  212.7561 66.58628 264.3610 25.08347 -51.60481      71.15415 
1 1 1 19  25 13 o 341.7611 19.96323 27.90893       3.195434  23.17777       8.032664  28.79839       3.482876  293.4990 60.20106 346.7650 21.45717 -53.26596      63.91070 
1 1 1 19  25 14 o 422.9666 20.49715 42.67216       4.078204  31.77765       7.848773  46.70126       4.773116  351.2385 48.82449 441.0928 23.08421 -89.85431      54.00659 
1 1 1 19  25 15 o 324.6267 23.86609 25.42175       3.618920  15.49643       7.355750  28.59137       4.156795  235.2789 64.52610 343.6224 25.90680 -108.3435      69.53258 
1 1 1 19  25 16 o 93.28127 37.95265 1.037524       2.614170  -1.783591      3.441796  4.884067       4.018926  85.27493 38.86258 141.8213 49.25655 -56.54638      62.74160 
1 1 1 19  25 17 o 532.8361 27.57832 69.08443       6.888758  0.000000       0.000000  69.08443       6.888758  ?        ?        532.8361 27.57832 0.000000       27.57832 
1 1 1 19  25 19 o 85.06921 39.71319 -3.019019      3.918736  -2.143877      6.044955  -3.653389      5.146653  112.5422 51.37215 97.38190 45.47818 15.16034       68.61022 
1 1 1 19  27 0  f 157.7073 50.64421 6.218788       4.260115  0.000000       0.000000  6.218788       4.260115  ?        ?        157.7073 50.64421 0.000000       50.64421 
1 1 1 19  27 1  o 206.5968 27.48046 10.41393       2.604397  6.765756       5.612388  11.41510       2.940125  167.2695 58.20162 215.8278 29.75009 -48.55830      65.36433 
1 1 1 19  27 2  o 205.3279 22.55542 10.16888       2.142657  11.09691       5.820691  10.02342       2.304472  204.7725 57.86547 203.3637 24.58896 1.408813       62.87312 
1 1 1 19  27 3  o 218.0212 26.74822 11.55754       2.685693  22.00357       6.400259  9.325073       2.958793  293.6777 47.98713 193.5828 33.71743 100.0950       58.64836 
1 1 1 19  27 4  o 119.7693 38.89663 3.434922       2.507849  -0.6346612     5.904971  4.330493       2.770083  121.7541 53.48948 132.2599 40.61691 -10.50579      67.16292 
1 1 1 19  27 5  f 291.9250 16.49945 20.25826       2.256463  24.79489       6.866334  19.70901       2.389158  311.7639 48.38841 287.6888 17.74094 24.07513       51.53813 
1 1 1 19  27 6  o 258.3616 18.69938 15.93501       2.257244  0.000000       0.000000  15.93501       2.257244  ?        ?        258.3616 18.69938 0.000000       18.69938 
1 1 1 19  27 7  o 341.3506 15.01052 27.58402       2.410269  33.20452       7.648667  26.96436       2.539663  362.5419 45.87621 337.3455 16.00412 25.19641       48.58764 
1 1 1 19  27 8  o 294.6366 16.59264 20.64856       2.290339  24.77705       6.722723  20.10646       2.436073  311.5394 47.36557 290.4615 17.91669 21.07797       50.64094 
1 1 1 19  27 9  f 247.1069 17.61547 14.57001       2.034209  14.84542       6.209056  14.53689       2.153035  235.6271 56.70442 246.6007 18.69959 -10.97362      59.70817 
1 1 1 19  27 10 o 146.1502 27.63877 5.304777       1.830539  -2.091261      5.665744  6.166807       1.934277  111.8041 50.51886 158.0299 26.98922 -46.22579      57.27628 
1 1 1 19  27 11 o 292.5183 17.03071 20.38820       2.333307  16.68550       6.327786  20.97088       2.510193  249.7918 55.31186 296.4410 18.08766 -46.64928      58.19421 
1 1 1 19  27 12 o 144.1822 31.55964 5.244661       2.081087  -2.525565      5.239141  6.700355       2.267662  104.7756 47.82643 163.6789 30.57648 -58.90336      56.76521 
1 1 1 19  27 13 o 166.0735 50.74386 7.239734       4.329857  6.322831       5.973113  8.255054       6.285509  162.4429 59.63242 177.9870 61.61211 -15.54401      85.74426 
1 1 1 19  27 14 o 152.7748 56.83812 5.416172       5.458948  0.000000       0.000000  5.416172       5.458948  ?        ?        152.7748 56.83812 0.000000       56.83812 
1 1 1 19  27 15 o 308.4855 33.31876 23.68008       4.758177  18.81689       6.628645  28.84959       6.834219  262.3606 55.44606 334.0476 44.60658 -71.68698      71.16187 
1 1 1 19  27 16 o 182.8072 49.88476 9.070190       4.409277  12.53270       6.804261  6.563615       5.789296  208.5661 63.58694 161.1518 58.77586 47.41429       86.59042 
1 1 1 19  29 0  o 223.8199 35.77553 12.54000       3.639790  10.01784       5.451279  14.56897       4.889331  193.6758 56.40357 237.6929 45.38377 -44.01709      72.39509 
1 1 1 19  29 1  o 423.4365 15.25309 42.49028       3.038194  32.07491       6.607072  45.28320       3.421383  358.2781 39.87973 436.8173 16.65070 -78.53922      43.21618 
1 1 1 19  29 2  o 91.53981 35.13784 1.452297       2.123942  4.524376       4.947847  0.7583312      2.351631  144.8382 54.06721 87.40134 35.82761 57.43684       64.86047 
1 1 1 19  29 3  o 434.6226 17.35812 44.86383       3.548822  53.59691       7.425729  42.27882       4.040054  467.5674 33.99443 421.1396 20.39350 46.42783       39.64235 
1 1 1 19  29 4  o 176.7691 26.90438 7.681375       2.166581  -6.956006      5.307742  10.60789       2.373306  89.75193 43.12532 208.9518 24.61804 -119.1999      49.65723 
1 1 1 19  29 5  o 81.69286 34.30153 0.3570158      2.229143  0.000000       0.000000  0.3570158      2.229143  ?        ?        81.69286 34.30153 0.000000       34.30153 
1 1 1 19  29 6  o 247.1983 34.18612 15.18552       3.868855  11.82224       5.336407  18.91201       5.617157  210.2579 53.74854 271.2040 45.65182 -60.94611      70.51946 
1 1 1 19  29 7  o 363.0992 27.05644 31.95900       4.588145  24.85137       6.317403  39.89299       6.674551  312.1605 44.26178 401.6698 35.69715 -89.50937      56.86292 
1 1 1 19  29 8  o 512.2107 22.53688 62.83066       5.430150  53.62664       7.326601  74.04876       8.088601  467.0972 33.56849 550.6801 31.35489 -83.58282      45.93444 
1 1 1 19  29 9  o 136.9391 54.39252 3.329370       5.234175  3.329370       5.234175  0.000000       0.000000  136.9391 54.39252 ?        ?        0.000000       54.39252 
1 1 1 19  29 10 o 108.7319 45.08670 1.220543       3.781348  0.9878122      5.304188  1.461058       5.392164  122.4966 52.23561 126.0244 53.15476 -3.527847      74.52509 
1 1 1 19  29 11 o 237.1223 40.50035 14.41787       4.355312  7.803211       5.953009  22.03627       6.388731  172.8023 59.95222 289.6395 48.61318 -116.8373      77.18491 
1 1 1 19  29 12 o 229.7786 41.16237 13.63508       4.285768  18.21344       6.513575  10.13972       5.691289  258.1486 55.30431 191.5547 58.09971 66.59387       80.21311 
1 1 1 19  31 0  o 95.35091 41.21344 0.1845984E-01  3.386671  -1.068966      4.677701  1.216409       4.909666  104.6823 46.71019 119.9162 50.65732 -15.23394      68.90578 
1 1 1 19  31 1  o 105.9440 42.71670 1.579730       3.278474  -1.128121      4.456434  4.774079       4.840233  101.8645 45.51231 144.6888 53.58144 -42.82426      70.30179 
1 1 1 19  31 2  o 73.62358 34.65605 -3.028498      3.090980  -5.392390      4.264844  -0.4129013     4.486160  81.19602 38.91916 106.0708 46.61049 -24.87482      60.72264 
1 1 1 19  31 3  o 79.28369 37.03501 -2.886481      3.416285  -6.102854      4.882247  0.1991974      4.782025  86.68143 41.57294 112.7129 48.84513 -26.03143      64.14169 
1 1 1 19  31 4  f 132.7256 46.12046 4.221341       3.523670  -2.239596      5.090163  10.16647       4.882751  103.7650 47.27831 193.9832 52.31227 -90.21818      70.51108 
1 1 1 20  0  0  o 42.37418 30.30058 -4.277033      2.760410  -4.277033      2.760410  -4.277033      2.760410  42.37418 30.30058 42.37418 30.30058 0.000000       0.000000 
1 1 1 20  0  1  o 1359.883 22.04023 435.7386       14.09060  435.7386       14.09060  435.7386       14.09060  1359.883 22.04023 1359.883 22.04023 0.000000       0.000000 
1 1 1 20  0  2  o 619.9099 18.83654 90.70191       5.481388  90.70191       5.481388  90.70191       5.481388  619.9099 18.83654 619.9099 18.83654 0.000000       0.000000 
1 1 1 20  0  3  o 306.1508 27.33235 22.60062       3.864084  22.60062       3.864084  22.60062       3.864084  306.1508 27.33235 306.1508 27.33235 0.000000       0.000000 
1 1 1 20  0  4  o 748.8416 26.54403 132.5803       9.323668  132.5803       9.323668  132.5803       9.323668  748.8416 26.54403 748.8416 26.54403 0.000000       0.000000 
1 1 1 20  0  5  o 565.5169 28.59701 75.92153       7.562999  75.92153       7.562999  75.92153       7.562999  565.5169 28.59701 565.5169 28.59701 0.000000       0.000000 
1 1 1 20  0  6  o 782.2767 20.43836 144.3544       7.509397  144.3544       7.509397  144.3544       7.509397  782.2767 20.43836 782.2767 20.43836 0.000000       0.000000 
1 1 1 20  0  7  o 1879.335 28.16279 832.7126       24.88453  832.7126       24.88453  832.7126       24.88453  1879.335 28.16279 1879.335 28.16279 0.000000       0.000000 
1 1 1 20  0  8  o 329.7047 30.73430 26.28150       4.671500  26.28150       4.671500  26.28150       4.671500  329.7047 30.73430 329.7047 30.73430 0.000000       0.000000 
1 1 1 20  0  9  o 565.2554 22.79543 75.61066       6.038846  75.61066       6.038846  75.61066       6.038846  565.2554 22.79543 565.2554 22.79543 0.000000       0.000000 
1 1 1 20  0  10 o 196.1829 56.47712 11.08996       4.520239  11.08996       4.520239  11.08996       4.520239  196.1829 56.47712 196.1829 56.47712 0.000000       0.000000 
1 1 1 20  0  11 o 624.4342 34.73967 92.86565       10.13205  92.86565       10.13205  92.86565       10.13205  624.4342 34.73967 624.4342 34.73967 0.000000       0.000000 
1 1 1 20  0  12 o 890.4262 22.43242 187.1242       9.382535  187.1242       9.382535  187.1242       9.382535  890.4262 22.43242 890.4262 22.43242 0.000000       0.000000 
1 1 1 20  0  13 o 589.6540 24.68659 82.37514       6.820143  82.37514       6.820143  82.37514       6.820143  589.6540 24.68659 589.6540 24.68659 0.000000       0.000000 
1 1 1 20  0  14 o 98.32783 58.54779 2.501436       4.752495  2.501436       4.752495  2.501436       4.752495  98.32783 58.54779 98.32783 58.54779 0.000000       0.000000 
1 1 1 20  0  15 o 669.6853 24.41415 106.1782       7.667790  106.1782       7.667790  106.1782       7.667790  669.6853 24.41415 669.6853 24.41415 0.000000       0.000000 
1 1 1 20  0  16 o 92.46498 57.42698 1.431391       5.011081  1.431391       5.011081  1.431391       5.011081  92.46498 57.42698 92.46498 57.42698 0.000000       0.000000 
1 1 1 20  0  17 o 88.21751 56.14044 0.6224125      5.115274  0.6224125      5.115274  0.6224125      5.115274  88.21751 56.14044 88.21751 56.14044 0.000000       0.000000 
1 1 1 20  0  18 o 597.9172 27.05519 85.05673       7.574108  85.05673       7.574108  85.05673       7.574108  597.9172 27.05519 597.9172 27.05519 0.000000       0.000000 
1 1 1 20  0  19 o 110.7842 69.27352 2.106124       7.417014  2.106124       7.417014  2.106124       7.417014  110.7842 69.27352 110.7842 69.27352 0.000000       0.000000 
1 1 1 20  0  20 o 72.08119 51.16316 -9.316291      7.343755  -9.316291      7.343755  -9.316291      7.343755  72.08119 51.16316 72.08119 51.16316 0.000000       0.000000 
1 1 1 20  0  21 o 250.2149 54.17426 17.04892       5.591304  17.04892       5.591304  17.04892       5.591304  250.2149 54.17426 250.2149 54.17426 0.000000       0.000000 
1 1 1 20  0  22 o 1032.184 25.58292 253.4370       12.40434  253.4370       12.40434  253.4370       12.40434  1032.184 25.58292 1032.184 25.58292 0.000000       0.000000 
1 1 1 20  0  23 o 590.1392 28.27784 83.57572       7.808923  83.57572       7.808923  83.57572       7.808923  590.1392 28.27784 590.1392 28.27784 0.000000       0.000000 
1 1 1 20  0  24 o 118.6317 71.60190 4.244947       7.302523  4.244947       7.302523  4.244947       7.302523  118.6317 71.60190 118.6317 71.60190 0.000000       0.000000 
1 1 1 20  0  25 o 100.0061 60.78525 2.740185       5.338601  2.740185       5.338601  2.740185       5.338601  100.0061 60.78525 100.0061 60.78525 0.000000       0.000000 
1 1 1 20  0  26 o 70.85068 48.79449 -3.335400      5.375372  -3.335400      5.375372  -3.335400      5.375372  70.85068 48.79449 70.85068 48.79449 0.000000       0.000000 
1 1 1 20  0  27 o 179.8286 84.16434 12.86861       7.959569  12.86861       7.959569  12.86861       7.959569  179.8286 84.16434 179.8286 84.16434 0.000000       0.000000 
1 1 1 20  0  28 o 114.4364 65.91178 4.835802       5.698331  4.835802       5.698331  4.835802       5.698331  114.4364 65.91178 114.4364 65.91178 0.000000       0.000000 
1 1 1 20  0  29 o 94.68913 57.03342 2.807533       4.614189  2.807533       4.614189  2.807533       4.614189  94.68913 57.03342 94.68913 57.03342 0.000000       0.000000 
1 1 1 20  0  30 o 100.0742 64.03723 2.215518       6.769398  2.215518       6.769398  2.215518       6.769398  100.0742 64.03723 100.0742 64.03723 0.000000       0.000000 
1 1 1 20  0  31 o 124.0221 69.46637 6.670631       6.090155  6.670631       6.090155  6.670631       6.090155  124.0221 69.46637 124.0221 69.46637 0.000000       0.000000 
1 1 1 20  0  32 o 216.3217 75.81165 17.27111       6.989619  17.27111       6.989619  17.27111       6.989619  216.3217 75.81165 216.3217 75.81165 0.000000       0.000000 
1 1 1 20  2  0  o 686.2937 13.91323 110.8938       4.491665  107.6397       8.721478  112.0685       5.240030  675.1419 27.46159 689.7955 16.14894 -14.65356      31.85793 
1 1 1 20  2  1  o 815.1989 13.06705 156.4429       5.010839  160.0549       7.156857  152.9697       7.017975  824.1884 18.45978 805.7353 18.51612 18.45313       26.14594 
1 1 1 20  2  2  o 665.7636 13.27111 104.3450       4.156200  103.0301       5.829895  105.7040       5.926813  661.2589 18.74217 669.7800 18.81134 -8.521118      26.55439 
1 1 1 20  2  3  o 1143.020 16.76583 307.7261       9.014634  310.3448       15.37526  306.3543       11.12796  1146.333 28.51294 1140.039 20.75041 6.294678       35.26426 
1 1 1 20  2  4  o 717.1991 15.63538 121.1291       5.274941  130.2913       9.107771  116.5045       6.470674  743.0247 26.05791 703.1324 19.56334 39.89227       32.58434 
1 1 1 20  2  5  o 482.0424 17.71951 54.73763       4.017967  53.88139       4.981509  56.33175       6.797095  478.0482 22.15236 487.4206 29.78789 -9.372437      37.12204 
1 1 1 20  2  6  o 1342.829 18.67085 424.8535       11.79381  430.4619       14.69046  414.6850       19.78095  1351.035 23.11530 1324.477 31.74925 26.55786       39.27253 
1 1 1 20  2  7  o 150.6560 38.98046 5.581270       2.783573  1.779260       3.884453  9.594378       3.990834  118.2047 46.88715 197.1613 44.13076 -78.95657      64.38889 
1 1 1 20  2  8  f 990.5841 14.99152 231.0701       6.985643  237.1102       10.04919  225.4220       9.717540  1002.834 21.30260 977.8242 21.12643 25.01001       30.00211 
1 1 1 20  2  9  o 543.0728 16.24830 69.46993       4.150835  65.83315       5.831391  73.20507       5.909726  528.2435 23.46760 557.1005 22.55093 -28.85699      32.54647 
1 1 1 20  2  10 o 319.2359 23.91007 24.18438       3.564479  22.30711       4.820997  26.44809       5.294009  305.0450 34.18517 332.4407 34.34851 -27.39575      48.46077 
1 1 1 20  2  11 o 725.4414 18.35622 124.0420       6.264047  132.1924       7.829063  109.5422       10.44244  748.5234 22.23489 680.1621 32.63775 68.36133       39.49194 
1 1 1 20  2  12 o 732.0425 18.98639 126.3518       6.538046  113.0499       10.83210  133.9750       8.200213  690.6701 33.34055 753.3528 23.13968 -62.68268      40.58371 
1 1 1 20  2  13 o 412.6909 25.27417 40.39898       4.882852  44.85732       8.622944  38.29463       5.924176  431.6702 43.03911 400.7742 31.68213 30.89597       53.44270 
1 1 1 20  2  14 o 558.9810 18.14513 73.69353       4.771187  72.00303       6.857692  75.27955       6.642412  551.6828 26.42526 564.2647 25.02497 -12.58191      36.39428 
1 1 1 20  2  15 o 1352.506 17.87032 431.5604       11.36949  443.6280       16.55480  420.7871       15.64180  1369.061 25.70584 1333.598 24.93402 35.46240       35.81195 
1 1 1 20  2  16 o 672.7577 19.61614 106.9106       6.207853  112.6041       10.60038  103.9387       7.658514  687.8084 32.76309 662.5342 24.57350 25.27423       40.95457 
1 1 1 20  2  17 o 103.2513 45.04966 -0.6615902     4.125173  1.601866       5.053619  -5.181332      7.141234  128.2652 52.54322 118.5555 54.74448 9.709663       75.87983 
1 1 1 20  2  18 o 584.6173 19.12590 80.84898       5.259722  81.34130       7.481260  80.36777       7.396208  584.6866 27.20084 581.2136 27.05229 3.473022       38.36290 
1 1 1 20  2  19 o 405.2644 26.84882 39.31211       5.089392  43.48993       6.258230  31.15339       8.745565  424.9839 31.52950 350.7951 54.79016 74.18875       63.21449 
1 1 1 20  2  20 o 280.0588 30.26000 19.02063       3.923095  19.15923       5.524365  18.87961       5.572132  276.6773 43.91320 274.3145 44.72323 2.362854       62.67804 
1 1 1 20  2  21 o 218.7167 43.59306 12.16045       4.327641  5.017836       7.358861  15.93667       5.350703  164.6564 64.78078 249.7612 47.27367 -85.10477      80.19569 
1 1 1 20  2  22 o 69.82127 33.93927 -5.857622      3.532753  2.120654       5.124832  -13.08156      4.876544  129.3781 52.94559 69.94491 35.01730 59.43324       63.47793 
1 1 1 20  2  23 o 549.3138 22.59573 72.21006       5.838699  68.04400       9.733563  74.55167       7.297363  522.5546 39.89935 554.9339 28.04568 -32.37933      48.77005 
1 1 1 20  2  24 o 295.2983 30.53849 21.44425       4.180783  20.16899       6.178545  22.52130       5.678140  277.1421 49.19487 297.3414 41.74603 -20.19937      64.52028 
1 1 1 20  2  25 o 185.1301 51.28298 9.253659       4.619555  8.400714       7.710574  9.731245       5.769686  180.8365 67.49669 188.1782 58.75666 -7.341705      89.48826 
1 1 1 20  2  26 o 336.3771 32.35863 28.10500       5.057011  23.77820       6.271501  36.14745       8.550312  301.4803 45.65113 368.7718 50.62534 -67.29144      68.16855 
1 1 1 20  2  27 o 135.0681 48.15900 4.447664       3.860179  1.570967       5.175308  8.055021       5.795404  122.7091 51.93282 171.5987 59.17490 -48.88965      78.73174 
1 1 1 20  2  28 o 164.5144 48.02186 7.424613       3.947441  9.243585       5.749112  5.802189       5.429627  179.4811 58.92227 151.4888 56.62094 27.99236       81.71759 
1 1 1 20  2  29 o 127.8597 46.62189 4.017304       3.642242  1.819417       5.302276  5.980976       5.011805  122.6485 52.26147 149.7767 54.67778 -27.12817      75.63677 
1 1 1 20  2  30 o 87.29243 40.20185 -1.837540      3.814375  0.8912010E-01  6.686292  -2.767070      4.644238  122.3693 55.12431 92.77921 43.28592 29.59010       70.08823 
1 1 1 20  2  31 o 133.3662 51.81693 4.621408       4.660846  8.754459       6.662801  0.6608205      6.522307  165.1961 62.51420 121.1051 54.50980 44.09100       82.94180 
1 1 1 20  2  32 o 177.2684 62.60930 11.15934       6.509449  11.15934       6.509449  0.000000       0.000000  177.2684 62.60930 ?        ?        0.000000       62.60930 
1 1 1 20  4  0  o 1265.493 15.56394 377.1429       9.265070  408.7396       19.83897  368.3293       10.47788  1314.752 32.07790 1250.375 17.81411 64.37769       36.69243 
1 1 1 20  4  1  o 673.5223 14.53382 106.8103       4.604698  132.2830       11.03053  101.4345       5.067348  748.0694 31.34623 656.2565 16.41488 91.81293       35.38410 
1 1 1 20  4  2  o 725.2347 14.97179 123.8477       5.107656  138.0202       8.836922  116.7379       6.259049  764.8757 24.56071 703.8734 18.90360 61.00238       30.99314 
1 1 1 20  4  3  o 67.90258 31.67642 -2.379845      2.486048  -2.138228      4.039643  -2.527137      3.154063  94.64237 42.72071 78.92611 36.42305 15.71626       56.13998 
1 1 1 20  4  4  o 531.5536 14.37580 66.52430       3.594583  64.43467       5.047812  68.67411       5.119971  522.8596 20.52338 539.8058 20.16325 -16.94629      28.77092 
1 1 1 20  4  5  o 627.3036 14.22179 92.64795       4.196637  93.42231       5.953329  91.88308       5.916724  629.6010 20.10135 624.3900 20.14448 5.210938       28.45811 
1 1 1 20  4  6  o 735.7690 16.49181 127.5052       5.707935  130.2489       7.141255  122.6516       9.498260  743.3666 20.42218 720.6824 28.01759 22.68420       34.67061 
1 1 1 20  4  7  o 350.5346 27.86130 29.19983       4.556213  30.76695       6.833953  27.94590       6.113063  357.7426 41.37326 341.1992 38.77614 16.54340       56.70393 
1 1 1 20  4  8  o 748.3293 14.59846 131.8661       5.138885  125.4934       7.057024  139.0601       7.497967  729.6033 20.56201 768.0120 20.75421 -38.40875      29.21529 
1 1 1 20  4  9  o 175.1442 37.22837 7.545436       2.972666  5.455359       4.111207  9.835433       4.303340  153.5650 49.79717 199.3152 46.71289 -45.75023      68.27776 
1 1 1 20  4  10 o 682.4755 17.93558 109.7656       5.758003  118.9312       7.260782  94.23306       9.451971  710.0719 21.73761 630.2042 31.98882 79.86768       38.67568 
1 1 1 20  4  11 o 937.9991 15.48938 207.2648       6.834483  208.6754       9.715313  205.8829       9.616285  940.4410 21.96119 934.1377 21.88402 6.303284       31.00330 
1 1 1 20  4  12 o 250.4881 28.82195 15.03703       3.334183  22.94703       4.977640  8.599773       4.490407  309.1149 34.83974 186.3908 50.12524 122.7240       61.04381 
1 1 1 20  4  13 o 196.6186 43.21293 9.576600       3.887729  5.448871       7.372821  11.16635       4.575544  173.6646 65.75070 212.0215 47.10111 -38.35693      80.88059 
1 1 1 20  4  14 f 545.6964 17.96213 70.23774       4.610819  70.55337       6.552534  69.92818       6.489292  546.1371 25.50576 543.7284 25.37149 2.408752       35.97577 
1 1 1 20  4  15 o 435.1234 23.44765 44.90602       4.781621  49.46493       8.118796  42.48484       5.916643  453.6821 38.40316 422.0609 29.99632 31.62119       48.72968 
1 1 1 20  4  16 o 227.3563 36.08960 12.63423       3.730789  8.526930       5.205844  16.97110       5.349346  185.6287 55.40231 262.0510 45.01769 -76.42236      71.38633 
1 1 1 20  4  17 o 520.5341 19.19918 64.05866       4.701118  64.09619       6.620561  64.02049       6.676562  518.6469 27.23175 518.2778 27.48374 0.3690796      38.69010 
1 1 1 20  4  18 o 354.3799 28.56890 30.12233       4.722005  29.14745       5.676371  32.31273       8.508577  346.7943 35.28763 359.5754 51.79796 -12.78107      62.67572 
1 1 1 20  4  19 o 456.8904 21.38661 49.53450       4.596457  56.17052       6.454408  42.70602       6.547331  484.0933 28.46912 420.3452 33.38723 63.74805       43.87707 
1 1 1 20  4  20 o 557.9119 19.60039 73.84899       5.143983  67.52544       7.159606  80.59613       7.395509  530.0950 28.82048 580.5632 27.08004 -50.46814      39.54679 
1 1 1 20  4  21 o 638.1991 18.48414 96.66193       5.549129  112.7663       8.232096  83.25005       7.512485  686.5515 25.48989 589.2474 27.10296 97.30408       37.20625 
1 1 1 20  4  22 o 527.4315 20.82324 66.29796       5.166348  60.72573       7.304168  71.87676       7.308473  499.8272 31.22209 545.3325 28.58980 -45.50531      42.33433 
1 1 1 20  4  23 o 273.1666 31.38250 18.36538       3.959361  21.30629       5.627478  15.48248       5.571702  289.4447 42.60592 242.3051 50.51955 47.13966       66.08698 
1 1 1 20  4  24 o 435.8003 22.32125 45.64968       4.560531  52.09230       6.640687  39.89883       6.274048  461.2540 30.78259 401.9641 33.48578 59.28989       45.48478 
1 1 1 20  4  25 o 211.0209 40.06931 11.48448       3.832006  13.60035       5.378522  9.303250       5.460968  224.1775 52.00980 184.4962 57.09053 39.68132       77.22919 
1 1 1 20  4  26 o 188.0649 45.32644 9.426537       3.962744  15.23416       5.531576  3.303728       5.679693  237.0520 51.11057 137.9738 56.01587 99.07811       75.82920 
1 1 1 20  4  27 o 365.3254 26.14543 32.64094       4.463386  37.15793       6.387238  28.33021       6.239708  383.6853 35.80264 331.2509 40.91346 52.43439       54.36672 
1 1 1 20  4  28 o 165.2189 47.27705 7.489079       3.860361  10.48950       5.502601  4.581119       5.417151  190.5131 56.98209 142.3307 55.70667 48.18240       79.68809 
1 1 1 20  4  29 o 128.2114 47.81132 3.957546       3.867146  3.070750       6.812169  4.379217       4.697426  138.7949 59.19161 135.6905 52.21432 3.104370       78.93024 
1 1 1 20  4  30 o 89.78425 40.73586 -1.114830      3.728402  -6.257432      6.322336  1.627198       4.616597  97.65831 46.95977 114.3685 48.75010 -16.71014      67.68893 
1 1 1 20  4  31 o 114.9788 45.61002 2.916576       3.675905  -2.900417      6.265562  5.969631       4.539187  105.6406 49.60488 143.7207 52.10143 -38.08012      71.93888 
1 1 1 20  4  32 o 115.9251 50.91819 1.793401       5.348485  1.793401       5.348485  0.000000       0.000000  115.9251 50.91819 ?        ?        0.000000       50.91819 
1 1 1 20  6  0  o 640.4045 15.71493 96.58316       4.734085  0.000000       0.000000  96.58316       4.734085  ?        ?        640.4045 15.71493 0.000000       15.71493 
1 1 1 20  6  1  o 383.0171 20.21808 34.67242       3.629828  0.000000       0.000000  34.67242       3.629828  ?        ?        383.0171 20.21808 0.000000       20.21808 
1 1 1 20  6  2  o 357.3307 21.22103 30.20593       3.551020  0.000000       0.000000  30.20593       3.551020  ?        ?        357.3307 21.22103 0.000000       21.22103 
1 1 1 20  6  3  o 391.2246 16.10231 36.04664       2.963356  31.02561       4.133429  41.35654       4.250665  361.8289 24.42804 418.2685 21.67829 -56.43961      32.66003 
1 1 1 20  6  4  o 858.1412 13.66772 173.3700       5.517267  175.2890       7.895727  171.5390       7.712680  862.4522 19.46201 853.1976 19.21704 9.254639       27.35077 
1 1 1 20  6  5  o 869.7299 14.04748 178.0969       5.747146  180.4432       8.166872  175.7951       8.089068  874.9913 19.84188 863.6420 19.91111 11.34924       28.10965 
1 1 1 20  6  6  o 689.8105 13.94136 112.0345       4.523810  112.9195       6.436374  111.1704       6.359584  692.1656 19.76796 686.7899 19.68500 5.375732       27.89752 
1 1 1 20  6  7  o 1406.512 16.85950 466.0261       11.15469  463.3177       15.52653  468.9152       16.03605  1401.370 23.55331 1409.693 24.18263 -8.322632      33.75734 
1 1 1 20  6  8  o 766.1479 16.89402 138.2865       6.088564  141.2094       7.467723  132.4911       10.51539  773.9005 20.51322 748.6146 29.86056 25.28589       36.22768 
1 1 1 20  6  9  o 891.7278 17.21785 187.3641       7.222383  186.5906       8.873442  188.8823       12.43182  889.4714 21.20757 893.7667 29.56932 -4.295288      36.38826 
1 1 1 20  6  10 o 359.8427 20.11592 30.62982       3.391405  32.58004       4.782011  28.65632       4.810458  370.2509 27.65616 346.8037 29.77596 23.44720       40.63829 
1 1 1 20  6  11 o 1048.595 15.72408 259.0606       7.756078  280.4242       11.62975  241.9465       10.40900  1089.963 22.68241 1012.557 21.85346 77.40649       31.49707 
1 1 1 20  6  12 o 293.1186 24.53738 20.44090       3.352180  21.08928       4.806136  19.82667       4.677862  296.0233 35.20478 286.8659 35.41763 9.157410       49.93781 
1 1 1 20  6  13 o 419.6755 19.98557 41.56493       3.945477  41.93836       5.603809  41.19784       5.555994  419.8749 28.54172 416.1324 28.55595 3.742523       40.37415 
1 1 1 20  6  14 o 778.5967 23.28059 143.3210       8.526601  0.000000       0.000000  143.3210       8.526601  ?        ?        778.5967 23.28059 0.000000       23.28059 
1 1 1 20  6  15 o 309.9467 26.00901 22.92085       3.757043  24.72306       5.329931  21.14101       5.296747  319.9866 36.03686 294.8690 39.15482 25.11765       53.21424 
1 1 1 20  6  16 o 529.5929 18.95742 66.27511       4.722703  64.06836       6.597468  68.59429       6.763444  518.7489 27.13079 537.5409 26.74774 -18.79199      38.09883 
1 1 1 20  6  17 o 340.4070 25.01240 27.65833       3.977141  21.80030       5.460829  34.27549       5.803887  298.4000 39.90302 377.2434 33.03905 -78.84348      51.80569 
1 1 1 20  6  18 o 329.4541 28.60819 26.08850       4.389566  25.88476       5.411630  26.48038       7.505352  326.1833 35.86143 324.7867 50.78866 1.396576       62.17339 
1 1 1 20  6  19 o 111.8919 46.60837 0.9202877      4.067220  0.1159332      4.856835  2.808562       7.441528  115.7468 49.68629 154.3229 63.55128 -38.57610      80.66904 
1 1 1 20  6  20 o 195.9521 39.08733 9.663577       3.476601  14.06263       4.967019  5.438524       4.867796  234.8246 46.61043 153.6753 54.15630 81.14926       71.45234 
1 1 1 20  6  21 o 180.3404 42.76252 8.338235       3.572585  12.70384       4.960392  3.633017       5.149722  221.2864 48.95080 140.3484 54.48422 80.93797       73.24419 
1 1 1 20  6  22 o 180.7277 54.10982 8.589327       4.960001  0.000000       0.000000  8.589327       4.960001  ?        ?        180.7277 54.10982 0.000000       54.10982 
1 1 1 20  6  23 o 187.1959 42.42023 9.083827       3.649018  8.501289       4.970996  9.764508       5.373451  178.8967 54.30739 190.4751 56.15109 -11.57848      78.11682 
1 1 1 20  6  24 o 608.8943 19.92306 88.57568       5.706465  83.61922       7.817872  94.22789       8.348564  586.9882 28.31326 622.9930 28.48783 -36.00488      40.16462 
1 1 1 20  6  25 o 178.9466 48.90806 8.587698       4.234406  6.471276       5.152030  12.99346       7.433407  159.3433 55.74547 212.4804 66.74902 -53.13713      86.96545 
1 1 1 20  6  26 o 205.5579 47.25845 11.34151       4.474087  8.470280       5.127512  20.50238       9.158861  175.8272 55.46658 259.5882 72.31678 -83.76096      91.13868 
1 1 1 20  6  27 o 193.9852 44.75955 10.10494       4.001280  8.587996       5.463964  11.85917       5.875780  175.3304 57.43679 203.2109 58.37997 -27.88054      81.89753 
1 1 1 20  6  28 o 109.3817 46.11359 1.258572       4.055170  2.593936       6.462956  0.3914876      5.207894  135.9491 57.80823 114.9774 50.37938 20.97163       76.68033 
1 1 1 20  6  29 o 88.49392 41.52305 -3.233552      4.376624  0.000000       0.000000  -3.233552      4.376624  ?        ?        88.49392 41.52305 0.000000       41.52305 
1 1 1 20  6  30 o 106.0836 43.86781 1.749796       3.565536  -0.8186682     6.016608  3.140083       4.426569  112.9805 51.44769 122.7144 49.58056 -9.733894      71.44996 
1 1 1 20  6  31 o 84.15253 39.75298 -3.122845      4.133821  10.22889       5.997313  -15.20809      5.705786  175.7789 60.21829 71.88432 36.23434 103.8945       70.27923 
1 1 1 20  6  32 o 114.0227 50.56537 1.469382       5.396494  1.469382       5.396494  0.000000       0.000000  114.0227 50.56537 ?        ?        0.000000       50.56537 
1 1 1 20  8  0  o 586.8981 16.19635 81.13052       4.471458  0.000000       0.000000  81.13052       4.471458  ?        ?        586.8981 16.19635 0.000000       16.19635 
1 1 1 20  8  1  o 98.92856 39.48680 1.159497       2.770905  0.000000       0.000000  1.159497       2.770905  ?        ?        98.92856 39.48680 0.000000       39.48680 
1 1 1 20  8  2  o 853.7943 14.61886 171.6507       5.871323  164.6255       11.93791  173.8922       6.743253  834.5448 30.40949 859.2015 16.68419 -24.65668      34.68573 
1 1 1 20  8  3  o 430.3871 16.99914 43.63519       3.441561  49.34602       7.781263  42.24636       3.837289  454.9463 36.67116 423.3884 19.26709 31.55789       41.42456 
1 1 1 20  8  4  o 579.7629 13.90457 79.14072       3.792078  83.33961       5.434814  75.15720       5.293589  594.6443 19.42934 564.6684 19.92909 29.97589       27.83286 
1 1 1 20  8  5  o 446.7609 15.41735 47.00739       3.240068  43.80798       4.432067  50.68009       4.748586  430.4389 21.96204 463.5796 21.77563 -33.14066      30.92749 
1 1 1 20  8  6  o 758.7779 14.06955 135.5696       5.021857  134.7749       7.100117  136.3651       7.103841  756.1157 19.96218 760.5728 19.85561 -4.457092      28.15553 
1 1 1 20  8  7  o 504.9548 15.59801 60.05837       3.705024  61.75566       5.220826  58.33631       5.258770  511.6946 21.68998 497.2752 22.48113 14.41937       31.23870 
1 1 1 20  8  8  o 232.6243 32.11043 13.04684       3.420074  17.06837       4.061051  3.237218       6.342628  266.4721 33.11177 152.3093 60.07198 114.1628       68.59323 
1 1 1 20  8  9  o 507.4471 18.99632 60.70905       4.534500  57.80677       5.465025  67.12248       8.123961  494.8591 23.47693 531.3641 32.65993 -36.50500      40.22235 
1 1 1 20  8  10 o 641.2170 15.51671 96.86938       4.680304  102.6812       6.766848  91.53928       6.480341  659.6270 21.80814 622.7815 22.12040 36.84552       31.06295 
1 1 1 20  8  11 o 824.4651 15.38490 160.1662       5.966729  170.3252       8.658008  150.9769       8.234380  849.4547 21.66748 799.7237 21.88878 49.73096       30.79933 
1 1 1 20  8  12 o 433.8528 18.30691 44.39697       3.736170  49.68481       5.356324  39.38633       5.214034  457.7364 24.97043 407.0236 27.39170 50.71274       37.06519 
1 1 1 20  8  13 o 273.9131 29.04826 17.98301       3.685729  20.42212       5.884024  16.40797       4.728293  288.7280 44.77255 259.2609 40.06168 29.46704       60.07927 
1 1 1 20  8  14 o 838.3634 16.27044 165.7888       6.416542  167.3401       9.151653  164.2888       8.998993  841.0421 23.13197 833.3757 22.95534 7.666382       32.58889 
1 1 1 20  8  15 o 499.0439 22.79219 58.96094       5.350498  60.87991       10.38288  58.26709       6.243300  500.6837 44.54987 494.7477 26.92770 5.936005       52.05566 
1 1 1 20  8  16 o 519.3378 18.83577 63.76730       4.601533  69.19433       6.628902  58.72026       6.392629  539.6974 26.11091 496.1729 27.49655 43.52444       37.91886 
1 1 1 20  8  17 o 401.6768 24.54236 38.47750       4.615022  37.84783       5.798185  39.56600       7.623446  396.6556 31.32989 402.5676 40.82170 -5.911987      51.45846 
1 1 1 20  8  18 o 335.2700 24.62841 26.89310       3.857003  29.38000       5.487499  24.46491       5.422336  347.9530 33.95910 316.2487 37.15742 31.70438       50.33780 
1 1 1 20  8  19 o 347.3762 25.05750 28.92953       4.067070  30.82337       5.462547  26.57388       6.092252  356.2238 32.97290 327.9325 40.34423 28.29129       52.10440 
1 1 1 20  8  20 o 546.0657 19.19787 70.81132       4.931365  76.32201       7.126922  65.74945       6.830525  564.3428 26.84662 522.7261 27.87930 41.61676       38.70396 
1 1 1 20  8  21 o 622.4456 20.80356 92.30953       6.091278  106.5101       10.79666  85.67895       7.377548  660.1649 34.89094 597.4092 26.25251 62.75574       43.66431 
1 1 1 20  8  22 o 342.8362 25.65803 28.40700       4.107889  28.11595       5.787196  28.70258       5.831928  336.1972 37.21791 339.7864 37.08929 -3.589142      52.54321 
1 1 1 20  8  23 o 269.0230 37.14808 18.17733       4.575631  20.81451       8.894680  17.22831       5.335787  269.1139 69.70506 257.7758 45.67550 11.33804       83.33694 
1 1 1 20  8  24 o 585.8853 22.34797 82.36172       6.159140  89.23882       7.786711  70.86802       10.06657  606.9299 27.27384 530.2662 40.66679 76.66364       48.96581 
1 1 1 20  8  25 o 329.1784 28.33499 26.55587       4.344809  25.21045       5.800390  28.27577       6.558121  314.4876 40.12314 331.4116 43.08619 -16.92395      58.87518 
1 1 1 20  8  26 o 120.2917 45.81917 2.996888       3.594062  -2.547401      4.844693  9.782816       5.359792  98.68479 45.39611 187.1685 56.29581 -88.48370      72.31892 
1 1 1 20  8  27 o 191.8412 54.90709 10.43104       5.206365  10.37455       6.745561  10.51427       8.188169  188.5900 63.86803 189.5422 69.78319 -0.9521637     94.59820 
1 1 1 20  8  28 o 155.0339 47.68666 6.606131       3.816593  -8.968490      5.812315  18.41184       5.060418  87.22724 42.64742 263.2356 42.29947 -176.0084      60.06702 
1 1 1 20  8  29 o 266.4499 36.05506 18.49428       4.403025  19.91677       7.712280  17.80644       5.362924  250.7511 64.88638 253.4882 46.69589 -2.737183      79.94215 
1 1 1 20  8  30 o 238.5980 61.34273 18.20155       6.923119  0.000000       0.000000  18.20155       6.923119  ?        ?        238.5980 61.34273 0.000000       61.34273 
1 1 1 20  8  31 o 131.3932 49.57195 4.749775       4.181517  -2.864150      5.671670  13.81689       6.189294  99.87757 46.99327 202.7950 60.38271 -102.9174      76.51431 
1 1 1 20  10 0  o 566.7095 13.30952 75.61649       3.548071  66.73603       7.887444  77.86937       3.972713  530.1526 31.77410 575.0240 14.68696 -44.87140      35.00429 
1 1 1 20  10 1  o 453.8380 15.19364 48.50996       3.243636  62.57433       7.781357  45.55217       3.568449  513.2106 32.39854 439.6982 17.25264 73.51239       36.70584 
1 1 1 20  10 2  o 917.6222 14.34736 198.2865       6.193060  215.9632       13.78564  193.8170       6.931926  955.5895 30.66805 907.0666 16.24596 48.52289       34.70534 
1 1 1 20  10 3  o 979.4552 14.89111 225.9327       6.860896  223.8407       14.28012  226.5605       7.822950  972.7460 31.20779 980.6238 16.95894 -7.877869      35.51805 
1 1 1 20  10 4  o 548.2646 15.82679 70.80666       4.081805  79.28062       9.038328  68.63558       4.574911  577.6987 33.40216 539.6732 18.02115 38.02545       37.95347 
1 1 1 20  10 5  o 1135.780 15.00716 303.8293       8.017930  297.2616       11.06770  311.0832       11.63143  1122.700 20.95677 1148.418 21.53098 -25.71802      30.04612 
1 1 1 20  10 6  o 80.37151 35.03384 -0.4811203     2.489534  -1.545508      3.474383  0.6420214      3.568988  89.41214 40.05018 105.3364 43.75074 -15.92429      59.31394 
1 1 1 20  10 7  o 222.6954 34.13709 12.01983       3.462042  13.21344       4.594533  10.45184       5.266003  231.8816 43.72523 205.1335 53.87843 26.74808       69.38863 
1 1 1 20  10 8  o 456.5146 16.72839 49.11306       3.592346  55.46292       5.134783  43.02551       5.027603  484.7456 22.51847 426.0236 25.19961 58.72198       33.79500 
1 1 1 20  10 9  o 500.9185 17.01091 59.14368       4.008335  54.82934       5.355352  64.63937       6.044243  481.8213 23.62831 523.0646 24.56503 -41.24335      34.08427 
1 1 1 20  10 10 o 296.9918 27.90332 21.05621       3.852544  17.33930       4.469153  31.80737       7.600844  267.7104 36.43520 362.0081 45.64987 -94.29764      58.40749 
1 1 1 20  10 11 o 361.2130 19.81576 30.88618       3.354143  31.27997       4.684103  30.47178       4.805162  362.4175 27.68509 357.4935 28.81878 4.924042       39.96231 
1 1 1 20  10 12 f 482.3394 18.94732 54.91410       4.299025  54.07254       6.725856  55.49542       5.589986  476.4094 30.16795 483.6766 24.65070 -7.267181      38.95847 
1 1 1 20  10 13 o 432.3981 18.85152 44.15156       3.834418  49.53167       5.514347  39.11486       5.335450  456.4814 25.78590 405.0382 28.17855 51.44318       38.19611 
1 1 1 20  10 14 f 437.6690 19.61555 45.27770       4.038457  43.68888       5.569231  47.03958       5.864701  427.9780 27.81426 444.0621 28.22237 -16.08408      39.62493 
1 1 1 20  10 15 o 243.7225 31.27395 14.39434       3.502770  16.52136       5.046062  12.41627       4.866164  258.3399 43.03744 222.0122 47.99408 36.32770       64.46436 
1 1 1 20  10 16 o 329.9604 27.57955 26.11106       4.241486  25.83972       5.419876  26.53983       6.813082  326.0605 35.93303 327.4413 45.45878 -1.380890      57.94551 
1 1 1 20  10 17 o 279.9352 27.35498 18.86829       3.556129  19.68151       4.968443  18.01409       5.092087  282.9297 38.31702 269.4731 41.50302 13.45657       56.48624 
1 1 1 20  10 18 o 310.9258 25.68043 23.21960       3.722408  24.66379       5.322791  21.83721       5.207656  317.3470 36.30978 297.7984 38.04442 19.54865       52.59066 
1 1 1 20  10 19 f 213.6591 35.74086 11.35182       3.465276  13.02347       4.881784  9.654090       4.919715  225.2021 47.57360 192.6557 52.74334 32.54640       71.02892 
1 1 1 20  10 20 o 340.4775 33.83012 28.40914       5.346537  25.25268       6.819991  33.44233       8.612016  314.7813 47.53923 360.3125 52.34196 -45.53125      70.70827 
1 1 1 20  10 21 o 209.7665 38.22284 11.12678       3.632662  11.80739       5.236765  10.49551       5.043407  210.8452 52.89025 198.8326 52.96999 12.01260       74.85452 
1 1 1 20  10 22 o 175.5312 43.74374 8.022443       3.598938  7.602783       5.173078  8.416086       5.010167  171.0049 55.88055 178.2527 54.60495 -7.247879      78.13026 
1 1 1 20  10 23 o 141.2695 48.77020 4.854005       3.937095  0.9327644      4.794808  12.96968       6.897978  117.3775 49.84884 215.1862 63.67175 -97.80872      80.86407 
1 1 1 20  10 24 o 131.8665 51.09787 3.442283       4.523088  5.722355       9.093502  2.692744       5.213798  171.3209 70.36647 131.6736 53.58863 39.64732       88.44875 
1 1 1 20  10 25 o 111.1650 44.97493 1.821325       3.647693  4.476822       5.083137  -0.9979701     5.237562  142.5367 54.44299 110.3853 49.32820 32.15147       73.46639 
1 1 1 20  10 26 o 177.0723 45.55266 8.442739       3.816071  6.947513       5.339334  10.00404       5.456038  161.8213 56.74203 188.3525 56.83214 -26.53120      80.30910 
1 1 1 20  10 27 o 199.7340 44.88314 10.79646       4.114243  14.28062       6.703295  8.690693       5.211271  218.7141 62.20023 175.0518 55.99219 43.66234       83.68987 
1 1 1 20  10 28 o 139.6238 60.95407 2.336504       7.561644  0.000000       0.000000  2.336504       7.561644  ?        ?        139.6238 60.95407 0.000000       60.95407 
1 1 1 20  10 29 o 104.0810 45.19191 0.6528931      4.109324  3.278835       5.796844  -1.999703      5.826190  132.0692 55.37700 107.2319 49.49185 24.83723       74.27016 
1 1 1 20  10 30 o 146.3284 49.72947 6.228069       4.089720  8.953628       5.650018  3.228300       5.927425  167.9723 58.39922 129.8434 55.29017 38.12895       80.42059 
1 1 1 20  12 0  o 217.5986 21.52911 11.27960       2.174783  13.45125       5.744034  10.91620       2.349711  232.4004 53.63202 213.7244 23.77466 18.67607       58.66539 
1 1 1 20  12 1  o 294.5925 18.42170 20.53759       2.540000  21.20393       6.461398  20.41579       2.762389  294.2932 48.35406 293.5392 20.12706 0.7540588      52.37569 
1 1 1 20  12 2  o 691.5350 13.97980 112.6249       4.547624  118.1035       10.24389  111.2802       5.075139  706.3772 30.82897 687.2772 15.69808 19.09998       34.59560 
1 1 1 20  12 3  o 717.0537 14.41197 121.1021       4.861209  147.9786       11.48247  115.2329       5.365799  790.6539 30.87305 699.3246 16.31121 91.32928       34.91705 
1 1 1 20  12 4  o 777.6391 15.00592 142.4518       5.489212  160.7610       12.11652  137.7235       6.157328  823.9781 31.26028 764.4461 17.12285 59.53198       35.64264 
1 1 1 20  12 5  o 452.2825 17.77430 48.22027       3.781565  33.26397       7.599364  53.14267       4.359668  370.9487 44.43497 474.6970 19.52395 -103.7484      48.53505 
1 1 1 20  12 6  o 446.9859 17.85223 47.10251       3.753666  51.86745       4.756883  39.23901       6.110854  468.7979 21.57086 405.6415 32.29252 63.15646       38.83438 
1 1 1 20  12 7  o 642.6768 14.56688 97.30531       4.403808  96.03399       6.038141  98.75004       6.436809  637.9907 20.11961 646.8431 21.15448 -8.852478      29.19436 
1 1 1 20  12 8  o 472.2964 16.37190 52.58078       3.637333  49.94722       4.902785  55.80483       5.424644  459.8524 22.66497 485.9714 23.72964 -26.11902      32.81458 
1 1 1 20  12 9  o 697.1942 14.91933 114.5533       4.892967  116.7905       6.801169  112.1529       7.044651  703.3442 20.55637 689.0861 21.73285 14.25818       29.91456 
1 1 1 20  12 10 o 316.8910 25.33356 23.91592       3.744806  25.53248       4.373443  19.47384       7.249722  326.9333 28.72924 278.5791 57.23709 48.35416       64.04259 
1 1 1 20  12 11 o 1400.299 20.40977 463.2854       13.44399  472.0468       16.58428  446.4923       22.96016  1411.893 24.97040 1368.347 35.67052 43.54675       43.54201 
1 1 1 20  12 12 o 272.2238 25.14535 17.71017       3.183590  16.12792       4.448367  19.37152       4.558195  257.0019 37.93607 282.8253 35.00937 -25.82343      51.62172 
1 1 1 20  12 13 o 288.1025 24.72729 19.82706       3.318666  18.79181       4.628338  20.92254       4.761080  277.9497 36.26291 293.7934 35.14819 -15.84366      50.50142 
1 1 1 20  12 14 o 118.4590 44.11606 2.661894       3.290332  -1.728894      4.788413  6.589634       4.528889  105.6460 47.19126 164.6033 52.15000 -58.95725      70.33234 
1 1 1 20  12 15 o 377.9171 23.82222 34.05446       4.213274  33.55958       5.306078  34.89893       6.931357  373.5433 30.46223 378.1877 39.54693 -4.644379      49.91901 
1 1 1 20  12 16 o 525.0614 22.53099 65.49142       5.564929  62.24733       10.84680  66.65039       6.483213  502.0095 46.45931 528.8018 26.06322 -26.79230      53.27062 
1 1 1 20  12 17 o 336.3762 23.07735 27.04972       3.629494  29.47055       5.155190  24.67035       5.110857  348.7379 31.77371 317.8950 34.74319 30.84296       47.08140 
1 1 1 20  12 18 o 349.8946 23.08501 29.30166       3.778238  25.31448       5.273629  33.50653       5.415672  321.2614 35.48903 371.6834 31.26531 -50.42200      47.29684 
1 1 1 20  12 19 o 454.2778 28.41931 49.82424       6.042475  0.000000       0.000000  49.82424       6.042475  ?        ?        454.2778 28.41931 0.000000       28.41931 
1 1 1 20  12 20 o 198.0324 38.19780 9.930408       3.429363  15.44045       4.993083  5.010191       4.718278  245.3870 44.91122 147.7354 53.18292 97.65163       69.60920 
1 1 1 20  12 21 o 313.3530 31.05997 24.06347       4.517990  26.13083       5.270602  18.33532       8.773232  324.9281 35.03717 253.5219 70.83162 71.40623       79.02355 
1 1 1 20  12 22 o 185.3085 48.31996 9.079778       4.255539  10.74506       4.890324  3.885256       8.637074  200.5016 51.56048 162.1155 67.75745 38.38614       85.14433 
1 1 1 20  12 23 o 349.6866 26.41133 29.70541       4.312441  27.62621       5.950437  32.00558       6.258657  331.0902 38.95090 357.2851 37.81359 -26.19482      54.28665 
1 1 1 20  12 24 o 156.5317 46.25639 6.451641       3.642647  9.308355       4.955857  3.094696       5.372265  184.7939 53.76876 135.1317 54.61253 49.66217       76.63947 
1 1 1 20  12 25 o 211.0266 39.18003 11.53015       3.746112  16.03809       5.309865  7.062940       5.285821  244.8939 47.80876 163.3785 56.50358 81.51546       74.01576 
1 1 1 20  12 26 o 126.3605 47.47135 3.579170       3.826171  8.362070       6.365329  0.8733926      4.787638  173.5705 61.84689 114.6313 49.27268 58.93927       79.07487 
1 1 1 20  12 27 o 169.7937 46.69694 7.962261       3.846128  4.108205       6.297466  10.25508       4.857268  142.8965 58.60903 189.6061 52.60838 -46.70953      78.75697 
1 1 1 20  12 28 o 181.8286 49.96902 9.489862       4.405954  6.361475       5.782538  13.81986       6.803026  153.1105 58.16665 209.0302 63.54843 -55.91969      86.14965 
1 1 1 20  12 29 o 279.8362 35.50306 20.55458       4.568332  17.49406       6.076435  24.53330       6.928240  241.2454 54.79362 289.2629 52.86485 -48.01749      76.13825 
1 1 1 20  12 30 o 105.0779 44.49829 1.564834       3.803351  5.960167       5.329607  -2.996433      5.429278  143.4315 55.49810 97.57034 45.92896 45.86119       72.03824 
1 1 1 20  14 0  o 445.4718 13.03232 46.73842       2.730935  49.40548       7.530402  46.33453       2.930428  454.6763 35.48957 443.4938 14.04670 11.18250       38.16830 
1 1 1 20  14 1  o 364.8545 15.02272 31.36636       2.578324  25.06540       6.549004  32.52213       2.804842  320.9884 44.57596 371.4680 16.05158 -50.47968      47.37794 
1 1 1 20  14 2  o 313.6515 17.73725 23.27076       2.606271  20.46076       6.421709  23.82489       2.851692  288.3653 49.10055 317.2220 19.20087 -28.85672      52.72132 
1 1 1 20  14 3  o 379.6145 17.09846 33.97525       3.053297  40.42807       7.164770  32.54333       3.375112  410.5845 37.51059 370.8979 19.41230 39.68658       42.23603 
1 1 1 20  14 4  o 475.9381 16.28590 53.39562       3.646126  50.86207       8.071650  54.04512       4.086853  460.8308 37.56179 478.6955 18.14932 -17.86469      41.71674 
1 1 1 20  14 5  o 477.4203 20.16150 53.79925       4.527861  59.78003       8.594986  51.50190       5.326972  499.8992 36.80946 466.1085 24.38012 33.79074       44.15118 
1 1 1 20  14 6  o 357.2931 20.16901 30.23205       3.375980  42.74673       7.820764  27.36604       3.742638  421.4522 39.92468 339.4345 23.58619 82.01770       46.37120 
1 1 1 20  14 7  o 1080.361 14.93990 275.1182       7.592521  291.4257       11.14118  260.9774       10.37465  1110.672 21.32435 1051.124 20.98216 59.54834       29.91620 
1 1 1 20  14 8  o 607.7469 14.68267 87.06965       4.197561  84.75623       5.783027  89.64558       6.102329  598.9738 20.52476 615.9363 21.06156 -16.96252      29.40842 
1 1 1 20  14 9  o 376.1728 18.01486 33.40537       3.187775  35.98181       4.435130  30.65187       4.584992  389.0714 24.35572 358.4516 27.39938 30.61987       36.65961 
1 1 1 20  14 10 o 412.5849 17.80622 40.19564       3.455847  41.04079       4.709363  39.20949       5.087073  415.5186 24.19840 405.6203 26.81241 9.898285       36.11742 
1 1 1 20  14 11 o 320.9035 27.01652 24.63069       4.040304  22.63080       4.813947  29.39655       7.431372  305.9806 34.02157 345.4910 46.94138 -39.51044      57.97379 
1 1 1 20  14 12 o 100.4675 41.41224 0.8155856      3.163571  2.825382       3.647616  -5.285375      6.355243  123.4144 46.35321 109.3784 50.89794 14.03601       68.84200 
1 1 1 20  14 13 o 238.6919 27.55963 13.74328       3.037550  13.43524       4.109957  14.11407       4.509243  233.1938 38.83285 238.3253 41.74326 -5.131485      57.01307 
1 1 1 20  14 14 f 286.9490 25.29814 19.74269       3.379836  18.75286       4.592488  20.91226       4.992100  276.8715 36.12214 292.3048 37.14474 -15.43329      51.81255 
1 1 1 20  14 15 o 318.1989 22.81759 24.18949       3.392695  24.35308       4.469728  23.96713       5.211146  317.4225 30.30274 313.1572 36.03225 4.265228       47.08056 
1 1 1 20  14 16 o 484.6125 18.60962 55.67688       4.242301  54.14543       5.663549  57.63458       6.403378  475.6342 25.40508 489.8982 27.90199 -14.26395      37.73512 
1 1 1 20  14 17 o 97.38931 43.19208 -1.030082      3.938116  2.453330       8.482248  -1.987268      4.446382  158.4456 66.73992 98.91280 44.71831 59.53284       80.33645 
1 1 1 20  14 18 o 159.3411 42.43079 6.495670       3.237041  11.51620       4.542583  1.316060       4.613987  211.0833 46.96059 119.4849 49.69598 91.59846       68.37389 
1 1 1 20  14 19 o 272.1532 28.67161 18.04354       3.615356  18.15261       5.077354  17.93135       5.149174  268.0941 41.60946 266.0045 42.58766 2.089691       59.54037 
1 1 1 20  14 20 o 196.1220 37.16323 9.732900       3.303041  11.84154       4.639602  7.565814       4.703462  212.8736 47.53458 170.5438 53.01784 42.32983       71.20694 
1 1 1 20  14 21 o 141.1766 46.16018 4.958863       3.529711  7.479192       5.249187  2.878690       4.768845  170.1053 56.32433 130.5450 51.89772 39.56023       76.58853 
1 1 1 20  14 22 o 142.0998 52.79358 4.501340       4.706476  4.501340       4.706476  0.000000       0.000000  142.0998 52.79358 ?        ?        0.000000       52.79358 
1 1 1 20  14 23 o 693.7405 18.35553 114.7859       5.990090  121.8897       8.495987  107.7643       8.446759  710.3818 25.42452 666.8903 26.92566 43.49158       37.03238 
1 1 1 20  14 24 o 139.3977 45.51114 4.962765       3.431619  0.4212490      4.430553  11.77234       5.425221  109.5066 47.23579 205.9846 54.96844 -96.47802      72.47586 
1 1 1 20  14 25 o 331.6106 35.62789 27.81367       5.470463  0.000000       0.000000  27.81367       5.470463  ?        ?        331.6106 35.62789 0.000000       35.62789 
1 1 1 20  14 26 o 165.3725 44.96715 7.447997       3.590284  9.848395       5.921542  6.052636       4.514779  183.8269 59.77275 150.6647 52.21368 33.16214       79.36656 
1 1 1 20  14 27 o 168.3450 43.95401 7.801301       3.518264  3.528538       5.628705  10.54108       4.507250  134.5427 55.32253 192.8392 49.45134 -58.29657      74.20254 
1 1 1 20  14 28 o 81.18149 37.98539 -2.588349      3.619071  -8.486921      4.716285  5.859097       5.644030  75.40051 37.17334 147.5978 57.11129 -72.19730      68.14365 
1 1 1 20  14 29 o 112.1461 49.76176 0.6851963      5.233629  0.6851963      5.233629  0.000000       0.000000  112.1461 49.76176 ?        ?        0.000000       49.76176 
1 1 1 20  16 0  o 618.3971 14.34345 90.13992       4.172442  86.44471       8.911500  91.17743       4.721998  602.2847 31.56410 621.7657 16.14469 -19.48108      35.45340 
1 1 1 20  16 1  o 506.0068 12.67799 60.32359       3.017701  55.52914       7.743431  61.18214       3.276772  481.7178 34.39828 509.5248 13.67136 -27.80704      37.01551 
1 1 1 20  16 2  o 402.1916 14.04237 38.12550       2.656701  37.33651       7.019259  38.25742       2.870227  393.5674 38.40362 402.8178 15.14741 -9.250366      41.28295 
1 1 1 20  16 3  o 166.1671 27.59920 6.718389       2.081615  13.53448       6.505188  5.940833       2.197141  231.1864 59.47587 155.4200 31.13771 75.76640       67.13372 
1 1 1 20  16 4  o 630.6602 15.87469 93.80913       4.709449  107.0749       10.25647  90.26498       5.301349  670.7932 32.50423 618.3575 18.22542 52.43567       37.26514 
1 1 1 20  16 5  o 800.8479 14.42231 151.2105       5.433182  156.5696       12.36926  149.9293       6.047853  810.9838 32.42368 797.2087 16.12723 13.77502       36.21302 
1 1 1 20  16 6  f 441.7437 17.77246 46.07210       3.693066  42.15220       8.074679  47.10896       4.152874  417.0215 41.72192 446.4845 19.77302 -29.46298      46.17024 
1 1 1 20  16 7  o 607.4721 17.86163 87.14852       5.104070  85.85019       9.988271  87.60737       5.937886  598.3044 35.65117 608.6388 20.73972 -10.33441      41.24490 
1 1 1 20  16 8  o 184.3994 39.13977 8.460666       3.290021  -1.267836      6.696781  11.55577       3.777294  129.4530 56.91521 216.4199 38.51511 -86.96695      68.72230 
1 1 1 20  16 9  o 222.6483 26.21045 11.93383       2.692559  12.06456       3.621972  11.77232       4.025644  221.7226 35.95856 217.7780 40.79548 3.944641       54.38096 
1 1 1 20  16 10 o 533.4032 20.87289 67.37755       5.237300  63.67420       6.223242  76.36742       9.696076  517.6588 25.55664 562.7183 36.83313 -45.05951      44.83103 
1 1 1 20  16 11 o 520.0095 20.85642 64.07191       5.101763  71.67064       10.36663  61.64334       5.860593  542.9307 40.89066 509.3565 24.45966 33.57413       47.64789 
1 1 1 20  16 12 o 415.7766 18.14504 40.90727       3.548846  40.89692       4.677197  40.92133       5.448229  414.0841 24.11639 413.1625 28.20120 0.9216003      37.10671 
1 1 1 20  16 13 o 165.3286 43.07621 6.912854       3.383762  9.739145       3.877386  -2.115636      6.930079  196.2541 43.17314 126.6844 56.66726 69.56970       71.23972 
1 1 1 20  16 14 o 80.21844 35.74978 -0.9603424     2.730907  0.1736764      3.506663  -2.708151      4.353422  99.58344 42.46869 94.58225 43.33266 5.001190       60.67379 
1 1 1 20  16 15 o 263.7285 25.69074 16.77020       3.146687  14.35588       4.085837  20.28966       4.933124  240.4792 37.32916 286.6872 37.47710 -46.20807      52.89611 
1 1 1 20  16 16 o 435.8648 18.80201 45.10173       3.855010  47.58520       5.227013  42.13983       5.708344  445.4382 25.04743 417.6193 29.24216 27.81894       38.50295 
1 1 1 20  16 17 o 414.0859 19.45571 40.76667       3.789717  43.00672       5.124558  38.06298       5.629961  422.8218 25.88968 395.9774 30.45858 26.84436       39.97500 
1 1 1 20  16 18 o 157.6638 52.40915 6.187125       4.543171  0.000000       0.000000  6.187125       4.543171  ?        ?        157.6638 52.40915 0.000000       52.40915 
1 1 1 20  16 19 o 621.1309 17.58777 91.65041       5.138816  84.75331       6.885996  100.3196       7.720082  594.4784 24.62416 646.3779 25.39020 -51.89948      35.36964 
1 1 1 20  16 20 o 333.1421 23.65705 26.73317       3.683210  25.78273       5.011282  27.84981       5.431783  323.3902 33.42446 335.5328 34.92611 -12.14264      48.34281 
1 1 1 20  16 21 o 85.24399 38.61197 -1.521839      3.333194  -0.9179519     4.150404  -2.618906      5.594085  99.58575 44.24514 108.0178 49.35049 -8.432022      66.28049 
1 1 1 20  16 22 o 198.4193 38.42256 10.09572       3.456664  6.843931       4.646793  14.12449       5.172235  161.9460 52.96383 230.3949 49.21881 -68.44884      72.30255 
1 1 1 20  16 23 o 180.9609 40.89561 8.565207       3.399281  9.346128       4.664557  7.680794       4.964026  185.2583 51.60842 169.0756 54.70761 16.18269       75.20872 
1 1 1 20  16 24 o 164.5885 44.34994 7.247557       3.511142  5.484543       5.217835  8.706484       4.746563  149.8218 55.60247 177.5648 52.88072 -27.74304      76.73334 
1 1 1 20  16 25 o 87.66596 39.17253 -0.8009571     3.302268  2.094828       4.969157  -3.091319      4.419281  123.1437 51.42521 90.57381 42.24613 32.56989       66.55289 
1 1 1 20  16 26 o 173.2382 49.57794 8.470552       4.244986  0.000000       0.000000  8.470552       4.244986  ?        ?        173.2382 49.57794 0.000000       49.57794 
1 1 1 20  16 27 o 172.1820 46.59107 8.393866       3.865367  16.86385       5.704444  1.203329       5.255966  241.7092 51.73329 117.3447 51.03038 124.3645       72.66659 
1 1 1 20  18 0  o 498.3116 14.45059 58.57773       3.387317  73.30560       8.357913  55.68318       3.705260  553.2877 32.25260 485.6568 16.21884 67.63089       36.10099 
1 1 1 20  18 1  o 444.5515 13.30232 46.59850       2.781754  54.34008       7.876178  45.49518       2.973379  475.1834 35.49206 439.1633 14.39312 36.02011       38.29945 
1 1 1 20  18 2  o 440.7263 13.30540 45.80050       2.758456  53.80500       8.094510  44.74878       2.934083  472.4373 36.71142 435.5500 14.32073 36.88727       39.40573 
1 1 1 20  18 3  o 671.6682 20.29678 106.7382       6.412853  114.8038       10.62086  102.1106       8.044853  693.3700 32.56306 655.6876 26.08266 37.68237       41.72119 
1 1 1 20  18 4  o 648.6449 15.30874 99.29954       4.671063  107.5208       10.39922  97.22159       5.228154  670.7895 32.95680 641.5131 17.32501 29.27643       37.23314 
1 1 1 20  18 5  o 446.9799 15.41000 47.15998       3.240113  54.57789       8.643182  45.94707       3.494983  474.7737 39.04668 441.0406 16.84602 33.73306       42.52565 
1 1 1 20  18 6  o 181.6716 33.21339 8.132473       2.733777  5.202141       6.639814  8.730610       2.999838  164.5795 62.37605 187.9435 35.22564 -23.36398      71.63530 
1 1 1 20  18 7  o 343.8136 20.60285 28.09458       3.316754  22.14923       7.400877  29.58877       3.710203  295.3844 55.29543 352.5258 22.49097 -57.14133      59.69446 
1 1 1 20  18 8  o 709.0193 15.77036 118.7464       5.259798  132.1938       11.96871  115.5277       5.855534  742.1891 34.28179 698.9319 17.80993 43.25720       38.63204 
1 1 1 20  18 9  o 646.0006 18.28313 98.75433       5.555880  0.000000       0.000000  98.75433       5.555880  ?        ?        646.0006 18.28313 0.000000       18.28313 
1 1 1 20  18 10 o 985.4962 15.06575 229.4395       6.984175  238.6103       9.896115  220.3389       9.858223  1002.926 20.97620 963.4528 21.75199 39.47272       30.21837 
1 1 1 20  18 11 o 504.8898 15.83929 60.27012       3.761851  56.65580       4.960803  65.16091       5.770698  488.4257 21.59157 523.3549 23.44028 -34.92920      31.86915 
1 1 1 20  18 12 o 280.6073 22.42344 18.84373       2.935133  22.34809       3.908590  14.31210       4.444709  304.4776 27.58911 239.2236 40.97122 65.25400       49.39433 
1 1 1 20  18 13 f 213.4541 31.01722 11.17522       3.023270  10.54985       3.612629  12.63674       5.522813  205.0199 38.88189 220.1447 53.78949 -15.12477      66.37100 
1 1 1 20  18 14 o 813.2993 18.23949 156.9081       6.978023  151.1996       8.011484  174.8514       14.20380  797.1085 21.36615 848.4871 35.58690 -51.37854      41.50831 
1 1 1 20  18 15 o 304.9013 21.76486 22.25687       3.101142  22.86802       3.987364  21.32126       4.933543  307.3778 27.88016 293.7801 36.48551 13.59772       45.91836 
1 1 1 20  18 16 o 255.8687 25.52795 15.83411       3.031558  18.32356       3.867082  11.86482       4.883016  273.8973 30.53386 213.2917 49.60522 60.60558       58.24942 
1 1 1 20  18 17 f 285.1819 25.43466 19.64809       3.376253  19.55708       4.661713  19.74851       4.896413  280.8352 36.12541 281.5016 37.94332 -0.6663513     52.39027 
1 1 1 20  18 18 o 92.27190 38.13328 0.7577235      2.691921  -1.256994      3.453388  3.877644       4.297443  88.86972 39.85949 135.4218 50.42067 -46.55208      64.27303 
1 1 1 20  18 19 o 157.4316 49.36919 6.357828       4.068398  3.501784       8.724936  7.151361       4.598987  161.7012 67.87705 166.1830 52.54155 -4.481781      85.83652 
1 1 1 20  18 20 o 178.4019 40.23883 8.214066       3.296417  6.959904       3.950744  11.08799       5.980533  163.1107 48.16506 201.3228 59.20672 -38.21216      76.32372 
1 1 1 20  18 21 o 497.2036 19.18365 59.01365       4.486779  59.18106       6.182114  58.82732       6.522053  493.8505 26.71098 491.4272 28.33355 2.423218       38.93927 
1 1 1 20  18 22 o 231.0171 31.20157 13.30247       3.303957  13.25387       4.552304  13.35657       4.802751  224.3896 44.69807 224.0589 47.06488 0.3306732      64.90778 
1 1 1 20  18 23 o 101.9410 44.56542 -0.8047435E-01 4.054665  -0.9857313     4.823883  2.098692       7.484383  105.5133 47.23194 142.4528 61.42031 -36.93954      77.48104 
1 1 1 20  18 24 o 129.7417 43.65963 4.282628       3.151983  12.64566       5.262940  -0.3947456     3.935932  211.9047 52.94848 98.07738 43.35398 113.8274       68.43325 
1 1 1 20  18 25 o 315.6680 26.74246 24.66264       3.933689  21.24257       6.183979  26.98707       5.098103  277.2991 49.21011 325.6465 33.77177 -48.34741      59.68390 
1 1 1 20  18 26 o 229.5128 40.12735 14.11250       4.174541  14.09334       5.879175  14.13199       5.928518  216.2718 56.98903 216.2704 57.34237 0.1388550E-02  80.84489 
1 1 1 20  20 0  o 366.6494 15.85353 31.76496       2.734302  27.04486       5.283676  33.49137       3.195460  333.9091 34.11790 376.2237 18.05585 -42.31451      38.60110 
1 1 1 20  20 1  o 139.3276 29.58120 4.809186       1.878819  16.50416       6.209702  3.630702       1.971210  254.0125 53.65144 121.1456 33.47700 132.8669       63.23912 
1 1 1 20  20 2  o 602.3393 14.03240 85.64190       3.975965  87.39597       9.672656  85.28526       4.361467  602.2054 34.28722 600.8578 15.43091 1.347656       37.59955 
1 1 1 20  20 3  o 84.76302 31.81228 1.293263       1.717436  9.426279       6.310419  0.6426561      1.784808  193.7582 61.57669 77.80796 31.46672 115.9503       69.15087 
1 1 1 20  20 4  o 543.0859 12.88013 69.58681       3.290471  71.78954       9.164948  69.26086       3.525530  544.7955 35.96478 541.6830 13.83598 3.112488       38.53440 
1 1 1 20  20 5  o 250.9703 19.24506 15.00558       2.254705  19.81570       6.856469  14.42236       2.387487  278.3409 54.31644 245.7406 20.85030 32.60033       58.18085 
1 1 1 20  20 6  f 463.8459 14.75231 50.82254       3.218866  36.11772       7.805446  53.83572       3.533299  382.2872 44.22116 477.2566 15.73835 -94.96936      46.93833 
1 1 1 20  20 7  o 433.4066 16.11772 44.41625       3.286007  40.75506       8.268275  45.10298       3.580950  406.1920 43.97481 436.5467 17.43806 -30.35461      47.30613 
1 1 1 20  20 8  o 526.3497 17.88197 65.60731       4.427505  0.000000       0.000000  65.60731       4.427505  ?        ?        526.3497 17.88197 0.000000       17.88197 
1 1 1 20  20 9  o 358.5874 20.71296 30.63264       3.478991  30.88585       8.140937  30.57606       3.848064  349.3164 51.05031 357.7304 22.98916 -8.414032      55.98782 
1 1 1 20  20 10 o 366.8498 21.15425 32.08819       3.635040  29.12307       8.797760  32.69859       3.991696  335.2424 57.88065 369.8683 23.05729 -34.62585      62.30416 
1 1 1 20  20 11 o 560.7244 19.28927 74.62608       5.087852  60.64210       9.899689  79.64555       5.931101  495.0764 42.93403 578.5510 21.79337 -83.47464      48.14854 
1 1 1 20  20 12 o 222.3815 49.26499 12.77943       5.017845  0.000000       0.000000  12.77943       5.017845  ?        ?        222.3815 49.26499 0.000000       49.26499 
1 1 1 20  20 13 o 207.9816 27.58680 10.54997       2.632355  11.31023       3.398023  9.409031       4.162729  213.2810 35.08982 190.9128 46.73049 22.36826       58.43829 
1 1 1 20  20 14 o 319.1622 19.98440 24.31547       2.985226  24.58094       3.840837  23.91040       4.744385  319.3671 25.78611 312.6760 32.74195 6.691101       41.67683 
1 1 1 20  20 15 o 75.34332 34.88453 -2.263700      2.928671  -2.038726      3.236112  -3.281807      6.884207  81.46060 37.33550 119.8584 54.75473 -38.39780      66.27232 
1 1 1 20  20 16 o 395.7993 19.99764 37.38639       3.711195  38.94174       5.256317  35.84036       5.240564  401.2174 28.02652 384.3755 29.20199 16.84195       40.47520 
1 1 1 20  20 17 o 209.1225 29.51859 10.76453       2.823049  10.19706       3.616232  11.65000       4.517201  200.0378 39.83028 211.6034 46.63804 -11.56557      61.33154 
1 1 1 20  20 18 o 554.0944 16.98919 72.93705       4.428186  74.90553       5.896195  70.39029       6.706583  559.4692 22.40404 540.5570 26.37488 18.91223       34.60600 
1 1 1 20  20 19 o 394.5581 21.52326 37.35982       3.979646  35.12759       4.721598  42.83591       7.395286  380.5818 26.53987 413.9070 38.42062 -33.32523      46.69592 
1 1 1 20  20 20 o 291.9586 30.81637 21.03555       4.168312  14.75624       7.807376  23.53901       4.929696  225.8349 67.94879 307.1366 34.73108 -81.30171      76.31046 
1 1 1 20  20 21 o 218.4104 30.09108 11.87153       3.009498  12.32836       4.148357  11.36398       4.372640  217.3526 42.09422 206.5714 46.16125 10.78117       62.47227 
1 1 1 20  20 22 o 376.4072 20.27722 34.11361       3.577097  41.52702       5.223804  27.56822       4.908468  411.7529 27.12185 332.6469 31.75413 79.10602       41.76027 
1 1 1 20  20 23 o 79.95691 36.30098 -1.290478      2.967013  5.784781       4.719017  -5.915823      3.815509  149.1453 53.24016 72.40536 35.21294 76.73993       63.83154 
1 1 1 20  20 24 o 131.4218 48.36728 4.242565       3.933067  2.466409       4.783530  7.948871       6.910010  122.9344 50.82146 168.0716 63.64866 -45.13720      81.44920 
1 1 1 20  22 0  o 284.5629 18.86005 19.28353       2.510278  16.76219       4.799563  20.23297       2.945232  259.3113 40.68593 290.9511 21.67486 -31.63986      46.09929 
1 1 1 20  22 1  o 194.6605 25.98191 9.201330       2.319742  12.27408       6.098854  8.681601       2.508263  216.3452 58.51626 188.1987 29.28487 28.14642       65.43513 
1 1 1 20  22 2  o 417.6488 13.71405 41.20168       2.694302  48.15696       7.799514  40.25922       2.871046  443.9298 37.70623 412.7014 14.78887 31.22836       40.50272 
1 1 1 20  22 3  o 414.9170 14.43672 40.68374       2.817727  0.000000       0.000000  40.68374       2.817727  ?        ?        414.9170 14.43672 0.000000       14.43672 
1 1 1 20  22 4  o 301.9016 16.67966 21.63893       2.359578  22.71403       6.859591  21.49465       2.512926  298.6598 50.63498 300.6880 17.84608 -2.028290      53.68784 
1 1 1 20  22 5  o 50.20748 23.89478 -1.957189      1.547678  10.50238       6.397640  -2.731677      1.595054  201.0392 61.72421 47.05526 22.85732 153.9839       65.82048 
1 1 1 20  22 6  o 369.6916 14.72105 32.31027       2.560046  46.61118       8.249079  30.78611       2.693015  435.0042 40.78908 360.7173 15.87094 74.28699       43.76797 
1 1 1 20  22 7  o 78.16444 33.01558 0.1915742      2.085056  0.000000       0.000000  0.1915742      2.085056  ?        ?        78.16444 33.01558 0.000000       33.01558 
1 1 1 20  22 8  o 322.1208 18.80891 24.69936       2.837656  18.27289       7.852613  25.66460       3.043309  260.9654 64.36880 328.1652 19.80726 -67.19977      67.34738 
1 1 1 20  22 9  o 272.6385 22.65226 17.82566       2.878840  15.67479       7.590814  18.18700       3.111274  241.1855 65.30237 275.0122 24.30013 -33.82669      69.67708 
1 1 1 20  22 10 o 241.6733 26.71544 14.14937       2.986320  24.14685       7.756557  12.40956       3.235751  304.4691 56.22859 224.8488 31.45348 79.62024       64.42806 
1 1 1 20  22 11 o 268.6626 30.17789 17.58551       3.747893  11.75981       7.168173  19.77728       4.396750  210.3531 65.46065 283.9919 33.56094 -73.63870      73.56244 
1 1 1 20  22 12 o 294.6937 24.51913 20.89679       3.368099  31.15339       7.984383  18.67661       3.714792  349.4220 50.00166 277.2484 28.90887 72.17361       57.75715 
1 1 1 20  22 13 o 338.5969 18.33319 27.29993       2.909172  27.79663       3.777433  26.57587       4.560771  340.2731 23.74825 330.8232 29.62066 9.449951       37.96528 
1 1 1 20  22 14 o 502.6803 15.98154 59.88513       3.779025  55.22668       4.868448  66.94691       5.994147  481.2602 21.50509 528.9554 24.09013 -47.69522      32.29247 
1 1 1 20  22 15 f 166.9860 34.69177 7.037018       2.636028  7.592153       3.411754  6.214787       4.152171  171.6049 42.48954 156.6544 49.96615 14.95042       65.58946 
1 1 1 20  22 16 o 286.9819 24.73782 19.90644       3.306901  20.53678       3.664730  17.14328       7.672876  290.7488 27.10760 248.3186 64.94687 42.43019       70.37697 
1 1 1 20  22 17 o 209.6169 27.68557 10.78819       2.663112  12.09532       3.387527  8.673195       4.309016  220.0345 33.81002 181.0461 49.27703 38.98843       59.76072 
1 1 1 20  22 18 o 356.0915 20.37356 30.40438       3.398528  30.16613       4.078901  30.94530       6.145886  353.1112 24.71205 351.3188 37.78285 1.792389       45.14675 
1 1 1 20  22 19 o 577.9224 24.85374 80.64529       6.756638  0.000000       0.000000  80.64529       6.756638  ?        ?        577.9224 24.85374 0.000000       24.85374 
1 1 1 20  22 20 o 275.0445 22.64410 18.33949       2.903697  14.84943       3.843264  22.98143       4.432343  242.4155 34.69248 304.1400 31.43416 -61.72455      46.81533 
1 1 1 20  22 21 o 149.0336 42.80695 5.897407       3.159407  -0.8008324     6.428561  8.030499       3.627758  121.1648 54.36111 172.8330 44.38889 -51.66824      70.18194 
1 1 1 20  22 22 o 104.7271 39.93341 2.222696       2.731852  -2.112069      4.370077  5.003241       3.500026  94.12258 43.22995 138.2630 46.00250 -44.14046      63.12732 
1 1 1 20  24 0  o 154.2365 37.77683 6.022110       2.719078  7.442971       4.659395  5.288348       3.348356  170.9577 52.70687 145.6062 44.64568 25.35146       69.07424 
1 1 1 20  24 1  o 80.51669 32.46720 0.7453212      1.894117  -0.5868015     5.389471  0.9330457      2.023180  117.0084 51.26019 84.61893 33.75177 32.38949       61.37417 
1 1 1 20  24 2  o 150.8437 28.12289 5.624978       1.922109  15.35672       6.044201  4.530085       2.027353  242.4333 54.34398 134.3962 32.43830 108.0371       63.28910 
1 1 1 20  24 3  o 353.5696 15.01161 29.56970       2.496729  24.28954       6.800211  30.39238       2.684194  309.3700 48.30659 358.3276 15.92445 -48.95758      50.86369 
1 1 1 20  24 4  o 96.74143 32.49682 2.134412       1.746216  8.165874       6.332196  1.637980       1.816658  181.4724 61.87812 90.39846 32.93172 91.07389       70.09565 
1 1 1 20  24 5  o 99.63960 32.01876 2.346200       1.702608  3.409632       6.031416  2.254121       1.774790  145.9807 58.26051 98.77024 32.75316 47.21044       66.83604 
1 1 1 20  24 6  o 102.9914 32.27030 2.545984       1.738677  0.000000       0.000000  2.545984       1.738677  ?        ?        102.9914 32.27030 0.000000       32.27030 
1 1 1 20  24 7  o 310.8281 23.05439 23.15679       3.346855  25.05946       7.711772  22.71526       3.714947  311.0123 54.70922 307.0679 25.96197 3.944366       60.55677 
1 1 1 20  24 8  o 95.57714 39.67403 0.7091520      2.932397  6.572533       6.568955  -0.7500575     3.277035  170.2002 62.52757 89.83691 39.64284 80.36330       74.03547 
1 1 1 20  24 9  o 131.6427 42.38675 4.208961       2.982652  5.945304       6.406261  3.728409       3.370215  164.8215 61.52269 128.4729 45.07885 36.34854       76.27020 
1 1 1 20  24 10 o 344.0689 27.06001 28.57529       4.344343  23.64447       7.561640  31.00476       5.307767  300.7340 55.49656 356.7251 31.96990 -55.99109      64.04641 
1 1 1 20  24 11 f 219.6233 29.60674 11.82389       2.980766  0.000000       0.000000  11.82389       2.980766  ?        ?        219.6233 29.60674 0.000000       29.60674 
1 1 1 20  24 12 o 400.7711 22.23976 38.45476       4.176256  24.22116       8.416465  43.10400       4.810204  299.9471 61.70957 423.6910 24.23549 -123.7439      66.29803 
1 1 1 20  24 13 f 158.2660 38.41501 6.399784       2.831082  6.414983       7.308111  6.397100       3.070867  170.7184 65.26244 157.8391 40.99332 12.87929       77.06905 
1 1 1 20  24 14 o 322.1573 29.16091 25.29668       4.371245  0.000000       0.000000  25.29668       4.371245  ?        ?        322.1573 29.16091 0.000000       29.16091 
1 1 1 20  24 15 o 87.83165 35.53448 0.9336119      2.277056  4.144324       3.076400  -2.956672      3.386357  130.2792 43.11840 78.72553 36.80685 51.55363       56.69163 
1 1 1 20  24 16 o 271.9126 21.16182 17.79308       2.685453  17.65586       3.624997  17.95998       3.997940  268.1533 29.21043 269.2893 32.19936 -1.136017      43.47468 
1 1 1 20  24 17 o 184.4440 35.17778 8.657381       2.940737  7.359184       3.222268  15.12783       7.193801  167.8781 41.12766 230.1247 64.08479 -62.24660      76.14687 
1 1 1 20  24 18 o 156.7103 40.41726 6.433515       2.998864  7.988367       3.466606  1.809750       5.978028  173.9461 42.68543 131.4340 55.73082 42.51202       70.19950 
1 1 1 20  24 19 o 324.4410 28.57307 25.94825       4.316254  0.000000       0.000000  25.94825       4.316254  ?        ?        324.4410 28.57307 0.000000       28.57307 
1 1 1 20  24 20 o 131.7818 36.84930 4.530849       2.373419  5.782241       3.429764  3.380921       3.287780  147.1950 45.19386 120.9833 44.26770 26.21169       63.26227 
1 1 1 20  26 0  o 215.1474 28.50146 11.31449       2.813507  10.23187       5.959740  11.62496       3.191535  196.8889 59.39531 217.0268 32.24191 -20.13785      67.58212 
1 1 1 20  26 1  o 683.0607 13.56293 110.2994       4.357948  113.1689       10.48426  109.7001       4.791495  683.6284 32.60231 680.8269 14.96115 2.801514       35.87125 
1 1 1 20  26 2  o 191.5253 23.96745 8.893960       2.112040  12.59810       6.199484  8.407598       2.246423  217.3308 59.08676 185.5184 26.49414 31.81238       64.75481 
1 1 1 20  26 3  o 659.3851 13.37855 102.7684       4.149707  108.4423       10.39719  101.6933       4.525803  669.0039 33.03832 655.5993 14.67533 13.40460       36.15102 
1 1 1 20  26 4  o 335.3675 15.50983 26.62997       2.446794  23.13615       6.722333  27.16352       2.626987  300.5473 49.25539 338.5635 16.49485 -38.01620      51.94394 
1 1 1 20  26 5  o 156.7503 28.44954 6.080945       2.020487  0.000000       0.000000  6.080945       2.020487  ?        ?        156.7503 28.44954 0.000000       28.44954 
1 1 1 20  26 6  o 530.3371 17.43610 66.72404       4.349813  64.62545       9.030025  67.35813       4.963653  512.7005 37.70632 532.1829 19.82765 -19.48236      42.60167 
1 1 1 20  26 7  o 326.7952 21.75764 25.57115       3.325579  40.81451       7.997395  22.38424       3.656728  404.1144 42.71775 304.5509 25.76657 99.56354       49.88709 
1 1 1 20  26 8  o 430.9021 19.27798 44.15512       3.907593  43.66825       8.207024  44.29786       4.443598  418.0855 42.31289 430.3420 22.02467 -12.25650      47.70185 
1 1 1 20  26 9  o 179.5179 43.28941 8.312774       3.613103  4.298455       6.798366  9.892985       4.265365  155.2576 61.88813 194.9303 47.05269 -39.67268      77.74379 
1 1 1 20  26 10 o 113.2866 41.53115 2.676240       2.895841  -2.843936      5.895331  4.431770       3.324573  111.0577 50.70921 135.0949 44.82921 -24.03719      67.68369 
1 1 1 20  26 11 o 77.00256 35.23803 -1.743103      2.867503  1.184602       6.163403  -2.551882      3.239453  132.2201 56.34298 78.58229 36.49109 53.63783       67.12772 
1 1 1 20  26 12 o 182.8878 38.37691 8.547424       3.196306  1.961653       6.125124  11.01192       3.746931  135.7333 56.91893 207.6672 39.80519 -71.93385      69.45660 
1 1 1 20  26 13 o 289.2334 26.16702 20.32990       3.521628  10.44590       6.820362  23.92299       4.112209  195.6359 64.17516 313.1441 28.21972 -117.5081      70.10567 
1 1 1 20  26 14 o 408.5312 20.78528 40.02763       3.981206  26.19204       7.557623  45.34157       4.683763  313.5880 53.13088 433.9313 23.02830 -120.3433      57.90676 
1 1 1 20  26 15 f 230.6475 28.26721 13.10995       3.002717  12.11950       6.328182  13.39775       3.411186  207.6084 60.86006 231.6980 32.16546 -24.08958      68.83723 
1 1 1 20  26 16 f 89.84663 41.04626 -1.933128      3.869158  -1.473841      5.794746  -2.302616      5.197480  113.6698 51.25109 103.9394 47.51897 9.730316       69.89082 
1 1 1 20  26 17 o 111.3631 47.56230 0.8369502      4.410012  -4.111177      6.372936  5.383473       6.108840  108.4238 50.62547 153.0318 59.35995 -44.60798      78.01630 
1 1 1 20  28 0  o 107.0222 40.36932 2.197325       2.772748  -6.070155      5.201355  5.479447       3.277233  91.27982 43.54171 146.7322 43.99513 -55.45239      61.89872 
1 1 1 20  28 1  o 395.3051 15.72829 37.04857       2.924712  36.92034       6.685597  37.07892       3.252442  386.0540 37.27855 395.0932 17.50010 -9.039185      41.18184 
1 1 1 20  28 2  o 101.3661 35.48800 2.275742       2.088140  -2.812426      4.917765  3.394889       2.306380  100.1866 45.95744 117.8541 37.20237 -17.66752      59.12785 
1 1 1 20  28 3  o 216.9114 22.63453 11.36486       2.275509  12.17004       5.303183  11.18316       2.519205  214.0388 52.96034 214.4063 25.47657 -0.3675079     58.76949 
1 1 1 20  28 4  o 233.6591 20.57187 13.11414       2.238073  10.74614       5.430749  13.59859       2.456362  200.4494 55.63111 237.5573 22.24020 -37.10796      59.91199 
1 1 1 20  28 5  o 215.3783 31.48159 11.47747       3.095361  0.000000       0.000000  11.47747       3.095361  ?        ?        215.3783 31.48159 0.000000       31.48159 
1 1 1 20  28 6  o 144.5778 36.93275 5.331974       2.520883  -0.2414982     5.303715  6.958579       2.865222  116.6255 50.97769 165.0547 37.72613 -48.42914      63.41912 
1 1 1 20  28 7  o 221.5828 22.37112 11.85963       2.299884  -1.064804      5.570057  14.51595       2.525192  115.1135 51.19497 245.4280 22.11000 -130.3145      55.76538 
1 1 1 20  28 8  o 177.2221 27.41232 7.746025       2.211481  3.519620       5.267122  8.650537       2.436661  138.8399 54.74787 187.1322 28.58781 -48.29233      61.76239 
1 1 1 20  28 9  o 335.4519 29.77911 27.52139       4.650203  14.42033       6.063953  46.22474       7.245401  230.3687 56.40926 431.8659 35.99297 -201.4972      66.91411 
1 1 1 20  28 10 o 287.6689 33.92128 20.56077       4.501959  18.84067       6.316660  22.33651       6.418012  265.9052 52.36345 292.4896 48.33503 -26.58438      71.26154 
1 1 1 20  28 11 o 189.3393 47.86355 9.537759       4.265248  8.561237       5.928426  10.58561       6.141140  178.9780 59.87842 195.8332 60.53215 -16.85518      85.14439 
1 1 1 20  28 12 o 559.7991 25.07207 75.67040       6.602247  61.44472       8.777736  94.20334       10.01885  495.0121 37.98589 616.5096 34.68783 -121.4975      51.44097 
1 1 1 20  28 13 f 283.8721 38.36850 20.49001       4.992219  11.55173       7.041268  29.52438       7.079013  201.1003 65.16528 336.5158 45.91820 -135.4154      79.71822 
1 1 1 20  30 0  o 168.2961 37.11803 7.270897       2.859574  8.579073       4.964680  6.621439       3.498116  178.7150 54.27748 159.0286 44.83098 19.68642       70.39789 
1 1 1 20  30 1  o 65.75748 30.16068 -1.376856      2.117221  -4.051724      4.703725  -0.6972196     2.370987  91.76449 43.05418 75.13063 33.40777 16.63386       54.49533 
1 1 1 20  30 2  o 115.6227 44.51044 2.523483       3.414631  0.2627230      4.702696  5.044590       4.966098  112.3329 48.55941 147.6495 54.34779 -35.31662      72.88140 
1 1 1 20  30 3  o 413.9780 24.37154 41.38292       4.725082  40.48752       6.753759  42.24138       6.613014  403.3946 35.96883 413.0775 34.34426 -9.682831      49.73213 
1 1 1 20  30 4  o 139.9975 53.01999 4.212248       4.795068  0.000000       0.000000  4.212248       4.795068  ?        ?        139.9975 53.01999 0.000000       53.01999 
1 1 1 20  30 5  o 299.4179 28.68769 21.96080       3.991108  18.84661       5.729700  24.89596       5.562568  268.3955 47.10032 314.2421 38.43156 -45.84662      60.79001 
1 1 1 20  30 6  o 174.6486 44.17241 8.027759       3.631448  3.772295       5.029992  12.66052       5.248244  137.9084 53.76092 216.4209 52.16407 -78.51254      74.90879 
1 1 1 20  30 7  o 153.9037 47.72161 6.182547       3.813469  8.192629       5.521338  4.348989       5.273327  174.9180 57.75869 143.4187 55.28484 31.49937       79.95298 
1 1 1 21  1  0  o 1094.917 21.69881 282.6931       11.17600  0.000000       0.000000  282.6931       11.17600  ?        ?        1094.917 21.69881 0.000000       21.69881 
1 1 1 21  1  1  o 866.6977 18.24043 176.9910       7.436559  170.9869       10.29895  183.5315       10.74926  851.1191 25.72369 881.7646 25.91533 -30.64557      36.51455 
1 1 1 21  1  2  o 268.6636 23.08758 17.14964       2.889461  21.39067       3.701631  10.53508       4.622828  299.8538 26.51639 206.2897 48.46206 93.56409       55.24211 
1 1 1 21  1  3  o 643.2360 14.21905 97.41918       4.302395  93.18092       5.868114  102.3458       6.326747  628.7702 19.83980 658.9268 20.41146 -30.15656      28.46481 
1 1 1 21  1  4  o 949.1174 14.21022 212.1020       6.344393  218.5274       9.161057  206.1801       8.794799  962.8572 20.22621 935.2834 19.99003 27.57379       28.43766 
1 1 1 21  1  5  o 328.0560 19.89389 25.45922       3.055485  16.82512       4.153696  35.64058       4.510547  264.4726 34.18784 387.8379 24.85429 -123.3654      42.26753 
1 1 1 21  1  6  o 1590.204 17.86109 595.8107       13.36073  603.2408       19.09631  588.6861       18.69977  1598.655 25.39366 1579.301 25.17110 19.35461       35.75504 
1 1 1 21  1  7  o 439.6118 17.07761 45.53003       3.531552  44.45274       4.924240  46.67096       5.067582  433.3433 24.25408 444.0446 24.35373 -10.70129      34.37099 
1 1 1 21  1  8  o 488.9741 16.91714 56.33080       3.891187  60.07822       5.576769  52.77539       5.432024  504.5808 23.49539 472.2201 24.53844 32.36072       33.97305 
1 1 1 21  1  9  o 834.9758 17.73666 164.2990       6.966507  161.9513       8.385260  169.5303       12.51696  828.6080 21.51286 846.3987 31.43799 -17.79065      38.09396 
1 1 1 21  1  10 o 477.5476 26.32623 54.04462       5.891065  53.44828       8.453664  54.60762       8.213955  472.9092 38.33103 478.3400 36.78651 -5.430817      53.12735 
1 1 1 21  1  11 o 393.6511 21.04545 36.66458       3.882961  40.11547       5.731315  33.73668       5.279180  410.6266 29.87621 376.3515 30.07083 34.27509       42.38918 
1 1 1 21  1  12 f 111.6219 43.07407 1.953876       3.203806  1.724632       4.527276  2.183849       4.534464  124.5390 50.20324 127.9764 50.69156 -3.437386      71.34424 
1 1 1 21  1  13 o 342.3974 23.53917 27.83283       3.768292  24.03694       5.374037  31.50455       5.285409  315.7976 36.87028 363.1774 31.24198 -47.37982      48.32679 
1 1 1 21  1  14 f 205.2564 37.50799 10.34520       3.488059  7.558942       4.991070  13.00517       4.876640  176.6622 54.56464 228.7696 46.89133 -52.10741      71.94510 
1 1 1 21  1  15 o 196.4924 45.22184 9.643071       4.093157  18.26100       7.028362  5.220069       5.035137  269.0812 57.28408 155.6859 55.05621 113.3953       79.45220 
1 1 1 21  1  16 o 444.7524 30.04454 47.27626       6.248834  47.08680       9.634955  47.41380       8.209569  438.7330 47.44067 442.7600 39.84365 -4.026978      61.95267 
1 1 1 21  1  17 o 470.0056 20.71502 52.29810       4.579918  51.40240       6.434000  53.21814       6.520839  463.4708 29.66708 471.6499 29.54000 -8.179169      41.86582 
1 1 1 21  1  18 o 309.6268 27.49001 23.02704       3.962252  20.73347       5.500501  25.50076       5.712448  289.7792 41.54032 322.9432 38.35317 -33.16403      56.53816 
1 1 1 21  1  19 o 405.1153 27.18596 39.36686       5.150718  39.14762       6.184400  39.86326       9.305912  402.1529 32.98196 398.3582 50.81880 3.794739       60.58350 
1 1 1 21  1  20 o 345.9302 30.33759 28.98247       4.886865  34.45303       8.601791  26.37528       5.938269  368.4061 51.00371 326.6350 39.44693 41.77115       64.47820 
1 1 1 21  1  21 o 94.06717 41.08605 -0.4281381     3.439332  -2.664990      4.911647  1.723886       4.817615  101.1982 46.23776 124.1675 51.13362 -22.96934      68.93893 
1 1 1 21  1  22 o 478.8011 30.12532 55.71753       6.750505  62.57432       9.691879  49.25684       9.407772  500.4354 41.54662 440.7067 46.06094 59.72870       62.03009 
1 1 1 21  1  23 o 142.1333 50.20492 4.803144       4.185711  8.463140       7.281325  2.996714       5.115413  182.0842 65.99131 133.7809 53.56295 48.30325       84.99319 
1 1 1 21  1  24 o 193.3105 57.36442 10.25969       5.593020  0.000000       0.000000  10.25969       5.593020  ?        ?        193.3105 57.36442 0.000000       57.36442 
1 1 1 21  1  25 o 216.5740 40.63512 12.14392       3.987719  6.547112       5.628281  17.78553       5.650759  161.0527 58.07253 258.9320 48.16563 -97.87926      75.44764 
1 1 1 21  1  26 o 181.0094 50.33578 8.945641       4.441453  10.34885       5.369822  5.906659       7.902455  192.3519 55.96982 164.3588 66.30212 27.99315       86.76746 
1 1 1 21  1  27 o 338.7216 32.25629 28.71278       5.077486  21.54578       8.807607  32.28028       6.213993  264.7911 69.74264 355.4980 37.73600 -90.70694      79.29717 
1 1 1 21  1  28 o 148.5537 47.51638 5.976491       3.752975  7.629402       5.394104  4.425621       5.224953  164.9143 57.07686 139.6375 54.69382 25.27679       79.05177 
1 1 1 21  1  29 o 284.3034 34.92670 20.86399       4.572752  14.87218       7.949358  23.82715       5.590245  212.0484 69.27007 299.4948 40.73708 -87.44641      80.36076 
1 1 1 21  1  30 o 101.2645 45.70001 -0.6717901     4.619835  -1.675981      6.286322  0.5074317      6.812181  111.4953 51.44185 123.7516 55.70382 -12.25629      75.82334 
1 1 1 21  1  31 o 90.33786 41.85567 -1.858370      4.226698  1.535077       5.962803  -5.285375      5.992214  120.2783 53.25500 95.36289 45.82144 24.91541       70.25453 
1 1 1 21  1  32 o 257.4833 64.39647 23.51962       7.779657  23.51962       7.779657  0.000000       0.000000  257.4833 64.39647 ?        ?        0.000000       64.39647 
1 1 1 21  3  0  o 644.2552 16.97137 97.77692       5.143327  107.9370       9.295914  93.29440       6.174541  675.8590 29.23928 629.0621 20.86613 46.79694       35.92118 
1 1 1 21  3  1  o 707.7564 18.94881 118.0446       6.308629  121.1653       9.558581  115.6362       8.397300  716.1924 28.37229 699.9509 25.50368 16.24158       38.15002 
1 1 1 21  3  2  o 1669.268 20.73802 656.8847       16.28406  651.7277       19.80171  667.6576       28.62009  1661.764 25.33168 1678.948 36.23801 -17.18408      44.21410 
1 1 1 21  3  3  o 762.5385 15.67696 136.9410       5.623323  134.3890       6.838264  142.2711       9.882675  755.1483 19.25060 776.2286 27.06547 -21.08038      33.21333 
1 1 1 21  3  4  o 733.4434 16.19744 126.7030       5.588332  131.0177       6.979374  118.9953       9.328258  745.5589 19.90055 709.7946 27.93821 35.76428       34.30125 
1 1 1 21  3  5  o 700.1977 14.07522 115.4389       4.636018  121.1581       6.705296  110.2011       6.416852  716.9460 19.88210 683.7541 19.95045 33.19196       28.16591 
1 1 1 21  3  6  o 1463.449 17.04771 504.5487       11.73581  504.3956       16.60051  504.7017       16.59338  1462.031 24.13768 1462.478 24.11993 -0.4472656     34.12329 
1 1 1 21  3  7  o 1166.956 15.68075 320.7502       8.607767  328.0587       12.39697  313.9464       11.96117  1179.311 22.34692 1153.712 22.03976 25.59912       31.38688 
1 1 1 21  3  8  o 513.6791 16.70284 62.16612       4.036004  65.03263       5.662954  59.20704       5.753670  524.9984 22.93062 500.8258 24.42244 24.17255       33.50028 
1 1 1 21  3  9  o 670.1371 22.50434 105.9644       7.094131  105.9644       7.094131  0.000000       0.000000  670.1371 22.50434 ?        ?        0.000000       22.50434 
1 1 1 21  3  10 o 619.1563 19.27558 90.39114       5.614060  89.32819       9.895042  90.89573       6.817571  612.8802 34.46188 620.5193 23.35635 -7.639160      41.63100 
1 1 1 21  3  11 o 1037.604 18.59584 253.8570       9.076464  244.7087       15.88370  258.2926       11.06010  1015.955 33.23594 1046.027 22.47744 -30.07257      40.12310 
1 1 1 21  3  12 o 964.0554 16.16894 219.0483       7.332515  217.4220       10.44624  220.6278       10.29490  959.4326 23.14601 966.5675 22.64231 -7.134949      32.37919 
1 1 1 21  3  13 o 400.8374 21.42618 38.04864       4.025378  43.21608       5.814896  33.29370       5.577980  426.0876 29.18762 373.2196 32.08379 52.86795       43.37380 
1 1 1 21  3  14 o 239.6568 37.08761 14.00059       4.046031  9.262783       6.488861  17.01437       5.175306  195.9197 62.46009 263.2654 43.29551 -67.34572      75.99844 
1 1 1 21  3  15 o 313.1240 25.92503 23.39370       3.784258  23.17282       5.348032  23.61520       5.355474  309.2422 37.53349 312.3025 37.18575 -3.060333      52.83506 
1 1 1 21  3  16 o 617.1423 17.96361 89.96913       5.214927  89.75089       7.315224  90.19466       7.436309  615.0892 25.28251 616.5329 25.64082 -1.443726      36.00912 
1 1 1 21  3  17 o 381.2610 26.30751 34.72127       4.689279  36.29144       5.777012  31.68847       8.028821  388.4548 31.89662 357.3885 49.05127 31.06628       58.51001 
1 1 1 21  3  18 o 248.7020 38.35556 15.26144       4.342927  15.09701       5.203106  15.63912       7.885685  244.7333 46.90327 243.7702 66.79149 0.9630127      81.61507 
1 1 1 21  3  19 o 463.7496 21.21132 51.07415       4.627223  43.95963       6.289683  59.46750       6.831619  426.6695 31.56171 497.4174 29.32641 -70.74792      43.08340 
1 1 1 21  3  20 o 414.0865 23.01671 40.98483       4.465667  34.85968       6.087766  48.12023       6.570657  377.9142 34.62998 445.7719 31.53836 -67.85770      46.83913 
1 1 1 21  3  21 o 419.8491 22.82057 42.20358       4.490087  41.63252       6.331627  42.78130       6.368416  413.1295 32.85200 418.9483 32.57084 -5.818878      46.26136 
1 1 1 21  3  22 o 519.6531 23.18663 64.65019       5.667877  60.22593       9.285908  67.27718       7.155387  491.3679 40.53616 526.7792 28.98742 -35.41138      49.83423 
1 1 1 21  3  23 o 394.8504 24.35631 37.61737       4.501819  36.71431       6.331243  38.54085       6.402422  384.7698 35.37612 394.5845 34.85156 -9.814697      49.65985 
1 1 1 21  3  24 o 439.5795 23.20946 46.57803       4.782222  47.15166       6.669087  45.97088       6.861169  437.1622 32.66660 430.7070 34.14448 6.455200       47.25412 
1 1 1 21  3  25 o 250.3955 36.31313 15.87250       4.152411  14.91635       5.614933  17.02661       6.168870  234.2702 52.27813 249.5849 54.10400 -15.31479      75.23460 
1 1 1 21  3  26 o 99.43340 42.56021 0.4353721      3.545145  -2.020997      4.777529  3.445277       5.288504  100.2299 45.72021 135.7540 54.42315 -35.52403      71.07894 
1 1 1 21  3  27 o 240.1124 35.47794 14.73153       3.886529  15.49461       5.420333  13.92407       5.575724  237.6498 50.06680 222.5490 53.84478 15.10080       73.52512 
1 1 1 21  3  28 f 81.63979 39.73104 -7.211534      4.879477  -12.24435      6.913939  -2.217301      6.887383  90.80122 44.81126 117.6703 54.12860 -26.86907      70.27058 
1 1 1 21  3  29 o 119.3488 48.10389 2.743369       4.155890  4.102260       7.058990  2.022501       5.141362  144.0812 60.79691 121.6611 51.64087 22.42005       79.76868 
1 1 1 21  3  30 o 142.8874 48.74366 5.760068       3.929328  6.831153       7.094894  5.286196       4.719159  155.5560 62.79780 139.8760 52.68713 15.67996       81.97254 
1 1 1 21  3  31 o 120.5558 53.09958 1.783591       5.852601  1.783591       5.852601  0.000000       0.000000  120.5558 53.09958 ?        ?        0.000000       53.09958 
1 1 1 21  3  32 o 257.9322 59.19370 22.33056       7.029876  22.33056       7.029876  0.000000       0.000000  257.9322 59.19370 ?        ?        0.000000       59.19370 
1 1 1 21  5  0  o 89.28264 38.53687 -0.3262447     2.952775  0.4848396      5.124872  -0.7292981     3.612695  123.3388 51.91044 96.51861 42.13408 26.82015       66.85786 
1 1 1 21  5  1  o 301.0420 25.80871 21.54937       3.619454  24.62842       6.184263  19.94517       4.463835  319.3372 42.20287 288.4039 33.52890 30.93323       53.90055 
1 1 1 21  5  2  o 463.0356 22.27279 50.56532       4.851302  49.52438       7.142968  51.45660       6.609588  456.2537 33.51609 465.5826 30.34512 -9.328857      45.21233 
1 1 1 21  5  3  o 334.1012 27.84122 26.54686       4.335741  25.62426       6.545568  27.26814       5.787499  325.5064 43.86525 337.2245 37.09740 -11.71808      57.44891 
1 1 1 21  5  4  o 268.7347 25.09859 17.19270       3.136068  12.45287       3.755363  28.11534       5.700777  226.4629 36.49224 342.6784 35.89824 -116.2155      51.18952 
1 1 1 21  5  5  o 779.8864 16.48972 143.2758       6.049423  143.9339       7.481713  142.0333       10.28093  781.3594 20.35546 775.3478 28.18814 6.011658       34.76947 
1 1 1 21  5  6  o 144.6605 37.62848 5.146188       2.584823  6.983454       3.552125  3.078338       3.768441  168.3250 44.26973 128.1019 47.31022 40.22313       64.79248 
1 1 1 21  5  7  o 639.6193 14.91556 96.35286       4.487769  95.46099       6.235526  97.31127       6.463964  636.2469 20.83426 642.3378 21.39272 -6.090881      29.86160 
1 1 1 21  5  8  o 170.8443 40.11234 7.210124       3.168536  9.691820       3.960275  2.795779       5.281827  198.0194 43.68760 139.9272 54.93631 58.09221       70.18977 
1 1 1 21  5  9  o 869.9705 14.98652 178.2769       6.133021  178.7821       8.658003  177.7681       8.688884  870.5610 21.14215 868.0723 21.27839 2.488647       29.99601 
1 1 1 21  5  10 o 1122.177 15.97742 296.7190       8.434073  297.8147       12.05003  295.6668       11.80879  1123.197 22.80673 1119.207 22.42982 3.990479       31.98818 
1 1 1 21  5  11 o 471.2785 17.81904 52.36581       3.950311  56.41298       5.762912  48.77866       5.425509  487.9199 25.19468 453.5638 25.53307 34.35608       35.87073 
1 1 1 21  5  12 o 301.7256 28.96225 21.75653       4.060172  22.45541       8.298251  21.53657       4.655485  299.3073 61.00819 299.3557 33.64310 -0.4837036E-01 69.66963 
1 1 1 21  5  13 o 290.7863 26.55525 20.18205       3.592317  25.59259       5.433672  15.98100       4.787976  325.9803 36.03777 255.5646 41.23063 70.41562       54.76025 
1 1 1 21  5  14 o 280.5406 27.57517 18.83598       3.591989  14.20326       5.114287  23.34594       5.046078  238.9935 47.16615 311.1275 35.09131 -72.13403      58.78814 
1 1 1 21  5  15 o 452.2449 19.74357 48.33726       4.200188  48.44028       6.032876  48.24034       5.851213  450.6573 28.60655 449.8989 27.78384 0.7583313      39.87827 
1 1 1 21  5  16 o 801.6794 17.14870 151.8049       6.466977  158.3504       9.248729  145.5432       9.046013  817.1041 24.06220 783.2301 24.55266 33.87396       34.37765 
1 1 1 21  5  17 o 531.9813 20.14525 67.01976       5.041253  72.88457       6.898886  60.29987       7.384699  553.3933 26.50182 501.2133 31.48128 52.17999       41.15116 
1 1 1 21  5  18 o 329.8206 25.72549 26.06834       3.959704  28.79561       5.623288  23.38603       5.576738  344.0665 35.24117 308.4211 39.33406 35.64536       52.81201 
1 1 1 21  5  19 o 692.8908 18.24445 113.7741       5.946548  117.8749       8.427944  109.7087       8.391550  702.7573 25.49453 677.6505 26.32492 25.10675       36.64659 
1 1 1 21  5  20 o 354.5217 24.14731 30.14561       4.003007  33.63921       5.633686  26.58317       5.688931  371.7530 32.54358 328.2954 37.51148 43.45761       49.66080 
1 1 1 21  5  21 o 491.8199 25.27297 58.13281       5.827225  41.29013       10.24566  66.18609       7.084687  397.5694 56.36271 523.1755 28.89956 -125.6061      63.33987 
1 1 1 21  5  22 o 394.0740 23.70992 37.35763       4.374728  36.63572       6.094296  38.12511       6.283648  385.7945 33.92626 393.4188 34.29675 -7.624359      48.24166 
1 1 1 21  5  23 o 418.1230 22.95114 42.06752       4.496901  37.39022       6.160985  47.40057       6.578702  388.8920 34.02071 439.3233 32.05489 -50.43127      46.74318 
1 1 1 21  5  24 o 406.8070 23.65884 39.95593       4.507871  39.76918       6.307557  40.15089       6.444843  400.5614 33.79064 402.1197 34.40239 -1.558289      48.22169 
1 1 1 21  5  25 o 336.9097 32.62487 28.19925       5.105722  32.87152       6.121635  17.52081       9.254600  361.6327 36.48441 239.6265 74.34850 122.0062       82.81795 
1 1 1 21  5  26 o 206.5368 43.48196 11.29952       4.090908  8.046365       5.614212  14.98214       5.973307  171.6247 58.26579 231.3276 55.58514 -59.70288      80.52707 
1 1 1 21  5  27 o 332.6797 27.81414 27.31684       4.312792  32.40234       6.138813  22.36050       6.060362  356.1954 37.18581 289.3440 46.07096 66.85147       59.20573 
1 1 1 21  5  28 o 228.9274 50.88258 14.73881       5.337357  0.000000       0.000000  14.73881       5.337357  ?        ?        228.9274 50.88258 0.000000       50.88258 
1 1 1 21  5  29 o 91.33977 41.14920 -0.8899959     3.726589  -9.747327      6.197090  4.127283       4.664128  88.26948 43.33814 132.4664 51.73301 -44.19694      67.48703 
1 1 1 21  5  30 o 98.31702 42.18203 0.8333453      3.497242  -3.552319      5.539597  3.739634       4.509516  97.91204 46.18149 126.7737 50.44531 -28.86166      68.39195 
1 1 1 21  5  31 o 266.9118 57.33768 22.60702       6.984365  22.60702       6.984365  0.000000       0.000000  266.9118 57.33768 ?        ?        0.000000       57.33768 
1 1 1 21  7  0  o 171.1245 39.40895 7.225471       3.106824  16.53983       6.054797  3.896650       3.619664  258.7738 51.55109 134.7647 46.74924 124.0091       69.59171 
1 1 1 21  7  1  o 802.5067 17.29118 151.7373       6.527434  172.7111       11.94387  142.8052       7.794387  854.7267 29.70629 778.1794 21.29281 76.54724       36.54924 
1 1 1 21  7  2  f 155.1071 39.60791 5.927784       2.900050  0.9298455      5.692299  7.679791       3.370235  132.0988 55.09181 176.3378 41.34725 -44.23898      68.88180 
1 1 1 21  7  3  o 844.9161 20.49682 168.3181       8.146470  168.0143       11.98477  168.5791       11.10694  842.9423 30.22475 844.6823 27.95321 -1.739929      41.16937 
1 1 1 21  7  4  o 744.0059 15.92211 130.3894       5.572452  127.6635       6.758489  136.1772       9.848013  735.9105 19.52339 759.2043 27.57533 -23.29376      33.78700 
1 1 1 21  7  5  o 350.8328 21.00088 29.12960       3.449896  24.04078       4.083187  41.82521       6.449371  317.7994 27.58717 419.0508 32.98423 -101.2513      43.00013 
1 1 1 21  7  6  o 1229.387 18.31918 356.2213       10.59409  363.1193       13.12794  343.3413       17.93885  1240.578 22.49588 1204.472 31.66127 36.10596       38.83942 
1 1 1 21  7  7  o 330.1556 22.48849 25.83923       3.471791  23.85179       4.206881  30.08324       6.147529  316.3485 28.57853 354.1140 37.47467 -37.76544      47.12837 
1 1 1 21  7  8  o 257.4364 24.86675 15.79655       2.973841  20.41284       4.314187  11.61726       4.104907  291.8924 31.94130 217.4461 41.64773 74.44635       52.48600 
1 1 1 21  7  9  o 586.2943 16.08673 80.99773       4.436625  89.99295       6.470031  73.01408       6.095387  617.4704 22.27517 556.0872 23.30178 61.38318       32.23594 
1 1 1 21  7  10 o 396.5320 19.31060 37.08814       3.601996  36.64325       5.044395  37.55097       5.145081  392.6291 27.48559 397.4538 27.69225 -4.824677      39.01690 
1 1 1 21  7  11 o 657.5493 15.82812 101.9063       4.895838  105.7281       7.067204  98.37984       6.788711  669.0607 22.45499 645.4031 22.36078 23.65753       31.68961 
1 1 1 21  7  12 o 639.0709 16.27873 96.29338       4.893716  96.99894       6.872982  95.56786       6.969550  640.6573 22.80605 635.8472 23.30143 4.810120       32.60479 
1 1 1 21  7  13 o 684.5858 23.39338 110.8560       7.533383  0.000000       0.000000  110.8560       7.533383  ?        ?        684.5858 23.39338 0.000000       23.39338 
1 1 1 21  7  14 o 511.8394 18.35235 61.86604       4.418703  65.41631       6.447277  58.72126       6.067940  525.2456 26.09424 496.9868 26.04599 28.25879       36.86872 
1 1 1 21  7  15 o 165.3393 42.96617 6.836419       3.372275  7.723398       4.729942  5.919435       4.809282  176.5180 52.83791 159.8758 53.92909 16.64214       75.49961 
1 1 1 21  7  16 o 271.9358 28.70906 17.81003       3.616926  15.51620       4.963470  20.40727       5.281545  249.6819 43.86042 288.3542 40.01588 -38.67230      59.37177 
1 1 1 21  7  17 f 558.0294 18.94050 73.72700       4.971847  79.59232       7.014724  67.80607       7.047899  578.1753 25.79181 532.2940 28.24855 45.88129       38.25177 
1 1 1 21  7  18 f 439.0366 24.82232 46.07052       5.105398  51.62154       6.174016  34.06659       9.079100  463.6819 28.44339 366.0262 54.38354 97.65561       61.37260 
1 1 1 21  7  19 o 289.9520 28.49025 20.34765       3.835720  21.55124       5.297445  19.02122       5.561217  294.9450 39.14912 274.7861 44.54879 20.15884       59.30640 
1 1 1 21  7  20 o 177.7179 42.19364 8.089539       3.474667  8.741148       4.856458  7.406151       4.973474  183.1486 53.20864 170.6815 54.71090 12.46712       76.31803 
1 1 1 21  7  21 o 285.6696 31.00393 19.99212       4.099414  22.91023       6.758073  18.29327       5.156425  297.2640 50.11154 268.6629 42.19136 28.60107       65.50784 
1 1 1 21  7  22 o 413.0011 26.53223 41.28509       5.127314  45.48158       9.817640  39.71122       6.012404  418.5372 50.91479 402.4422 32.02457 16.09497       60.14889 
1 1 1 21  7  23 o 117.3408 44.84809 2.675634       3.450731  -0.7413337     4.591870  7.108940       5.230378  105.5488 46.73345 165.8696 56.23911 -60.32085      73.12218 
1 1 1 21  7  24 o 140.3773 49.40313 4.777837       4.049500  3.548327       4.985803  7.161119       6.941556  135.7262 53.34663 170.4316 63.95784 -34.70544      83.28547 
1 1 1 21  7  25 f 482.3023 22.42049 55.97886       5.086671  61.19798       6.957142  49.98440       7.456020  499.2251 29.76069 446.8295 35.77279 52.39557       46.53376 
1 1 1 21  7  26 o 190.6155 49.88329 9.972398       4.524707  15.96624       5.351603  -5.053509      8.473282  243.2132 48.47790 123.1970 57.79658 120.0162       75.43575 
1 1 1 21  7  27 o 102.4952 44.44259 0.3057570      3.963360  0.7708087      6.150212  -0.2453969E-01 5.183124  125.0848 54.77949 112.9300 49.84361 12.15480       74.06199 
1 1 1 21  7  28 f 211.5338 42.51085 12.07248       4.083321  -1.800535      6.466499  21.27267       5.266013  115.1009 52.76229 283.7932 40.60406 -168.6923      66.57739 
1 1 1 21  7  29 o 184.7301 53.96256 10.17888       4.982882  0.000000       0.000000  10.17888       4.982882  ?        ?        184.7301 53.96256 0.000000       53.96256 
1 1 1 21  7  30 o 173.5494 51.46318 9.092125       4.502680  8.748514       6.457067  9.417361       6.282042  165.4349 61.76331 170.4411 61.36541 -5.006165      87.06561 
1 1 1 21  7  31 o 107.9491 45.43407 1.964633       3.925988  9.378716       5.416854  -6.239596      5.698195  168.2706 57.23199 89.29621 43.33596 78.97434       71.78793 
1 1 1 21  9  0  f 612.9013 16.84504 88.51225       4.856595  89.65518       9.088064  88.05539       5.745842  614.6680 31.53742 611.0930 19.98836 3.575012       37.33823 
1 1 1 21  9  1  o 1408.983 16.60658 467.7414       11.00665  493.7575       23.80471  460.6671       12.41326  1443.311 35.06176 1397.933 18.87687 45.37793       39.82038 
1 1 1 21  9  2  o 411.6643 17.99851 39.94032       3.485371  37.90131       7.447455  40.51214       3.943927  397.4019 40.40082 414.4896 20.22767 -17.08768      45.18169 
1 1 1 21  9  3  o 813.6255 19.82887 156.0885       7.589128  0.000000       0.000000  156.0885       7.589128  ?        ?        813.6255 19.82887 0.000000       19.82887 
1 1 1 21  9  4  o 773.1552 20.80864 140.9880       7.567975  143.9061       11.68954  138.8823       9.929926  779.6575 31.87308 766.5595 27.53790 13.09796       42.12160 
1 1 1 21  9  5  o 145.0368 41.58072 5.120392       2.983523  6.490368       3.456203  1.114150       5.910325  162.4214 44.10067 135.2562 56.24976 27.16521       71.47660 
1 1 1 21  9  6  o 1421.788 23.71086 477.2727       15.85811  477.2727       15.85811  0.000000       0.000000  1421.788 23.71086 ?        ?        0.000000       23.71086 
1 1 1 21  9  7  o 835.9554 16.93008 164.6978       6.657504  162.3897       8.038465  169.7384       11.87940  829.6733 20.59666 846.8467 29.82088 -17.17346      36.24234 
1 1 1 21  9  8  o 1111.427 15.48616 291.0581       8.096437  283.0360       11.20528  299.8217       11.71169  1095.049 21.75303 1126.990 22.09174 -31.94128      31.00386 
1 1 1 21  9  9  o 538.3778 16.33338 68.31831       4.136496  64.10094       5.697967  73.01749       6.014647  520.9280 23.25267 556.0059 22.99648 -35.07788      32.70359 
1 1 1 21  9  10 o 340.5706 20.90143 27.48567       3.332330  25.79924       4.710018  29.17583       4.715240  328.4340 30.84779 349.7691 28.91783 -21.33508      42.28271 
1 1 1 21  9  11 o 219.3592 30.82717 11.63713       3.093172  14.71961       4.434356  8.715882       4.316823  245.3303 39.78752 186.9677 48.62495 58.36255       62.82859 
1 1 1 21  9  12 o 382.6935 22.29566 34.74457       3.996273  37.81213       6.371681  32.75539       5.130900  397.0109 34.45971 370.2862 29.70699 26.72467       45.49700 
1 1 1 21  9  13 o 342.7441 21.47828 27.89192       3.445399  25.13408       4.760128  30.92655       4.993291  323.4378 31.69384 359.4870 29.79663 -36.04919      43.50102 
1 1 1 21  9  14 f 382.2863 26.05003 34.85222       4.656611  31.98573       9.082445  35.87443       5.423713  357.4289 55.84558 387.0152 30.02705 -29.58630      63.40626 
1 1 1 21  9  15 o 277.5179 27.92648 18.51588       3.596150  16.95865       5.020254  20.15707       5.153824  261.8256 42.19502 286.8135 39.22810 -24.98795      57.61305 
1 1 1 21  9  16 o 177.1378 45.20966 7.938835       3.779775  5.202647       4.697955  12.96076       6.364599  151.9915 53.22895 223.6764 59.46535 -71.68498      79.80882 
1 1 1 21  9  17 o 752.0264 17.05063 133.8147       6.031743  129.6319       8.338709  138.4050       8.735461  738.0159 24.01949 762.4537 24.35584 -24.43781      34.20735 
1 1 1 21  9  18 o 325.0874 25.66965 25.39119       3.893514  27.15237       5.523013  23.65123       5.489658  333.0344 35.81783 309.6209 38.52475 23.41345       52.60297 
1 1 1 21  9  19 o 376.3141 27.65422 34.16121       4.861029  40.94485       6.029663  21.56659       8.215883  410.7144 31.44824 283.4054 63.23359 127.3090       70.62209 
1 1 1 21  9  20 o 385.0586 25.22046 35.68993       4.543004  33.32343       7.278910  37.20003       5.814535  364.0302 43.35999 390.5089 31.93235 -26.47867      53.84945 
1 1 1 21  9  21 o 635.5553 18.54124 96.11452       5.543213  104.8957       8.108424  88.40960       7.595286  660.2186 26.10835 605.8319 26.65157 54.38672       37.30887 
1 1 1 21  9  22 o 340.8228 25.03889 28.09761       3.986227  19.64064       5.321817  38.90715       6.016668  277.4639 42.09559 397.8374 32.43225 -120.3735      53.14028 
1 1 1 21  9  23 o 339.9580 38.35903 29.07354       6.027003  22.87158       9.338053  33.50179       7.890560  280.0525 70.83486 359.0170 47.91836 -78.96451      85.52045 
1 1 1 21  9  24 o 610.8860 29.51003 91.08390       8.480063  0.000000       0.000000  91.08390       8.480063  ?        ?        610.8860 29.51003 0.000000       29.51003 
1 1 1 21  9  25 o 358.0671 25.90276 31.26570       4.333494  27.35350       5.819195  36.13633       6.492990  327.9002 38.45727 378.3943 36.94950 -50.49411      53.33130 
1 1 1 21  9  26 o 149.0274 49.44833 5.864436       4.045015  8.858502       6.366996  3.838113       5.237911  177.5774 61.97952 137.2176 54.44074 40.35973       82.49397 
1 1 1 21  9  27 o 141.6844 49.08815 5.249270       3.990313  2.084424       6.060053  7.671798       5.301937  130.5018 55.74595 165.4106 56.61990 -34.90877      79.45705 
1 1 1 21  9  28 o 147.5016 47.16890 5.998680       3.698450  12.11058       6.472857  3.036108       4.506530  197.4310 62.32388 124.1493 50.07335 73.28168       79.94752 
1 1 1 21  9  29 o 398.1726 30.58164 40.27924       5.684223  32.43163       7.580985  50.35672       8.590792  338.4495 49.04626 430.5215 42.99485 -92.07193      65.22340 
1 1 1 21  11 0  o 399.1571 17.73503 37.55779       3.330007  31.86683       6.563331  39.53060       3.864322  364.1204 38.92155 409.3779 20.06687 -45.25757      43.79003 
1 1 1 21  11 1  o 122.1130 38.76694 3.482908       2.501707  0.6239596      5.747108  4.151282       2.778790  130.6482 54.97837 132.1399 40.69743 -1.491684      68.40250 
1 1 1 21  11 2  o 198.7970 30.51978 9.569280       2.762837  6.982759       6.077194  10.24314       3.101929  176.9628 60.61804 205.3282 33.25251 -28.36534      69.13954 
1 1 1 21  11 3  o 458.9382 17.08808 49.64251       3.689068  38.79311       7.506658  53.09711       4.235869  401.8626 40.25117 474.5230 18.97649 -72.66043      44.50016 
1 1 1 21  11 4  o 589.9515 16.21568 82.01691       4.500085  84.24496       9.374497  81.34977       5.129766  595.1102 33.62502 587.3727 18.56584 7.737488       38.41005 
1 1 1 21  11 5  o 346.7467 28.66623 28.64386       4.633829  30.67777       7.460243  27.36623       5.912740  355.6141 45.65095 337.2353 37.93057 18.37888       59.35265 
1 1 1 21  11 6  o 1292.036 16.10901 393.4281       9.790681  399.1790       13.86372  387.7063       13.82858  1300.161 22.66799 1281.279 22.94376 18.88257       32.25297 
1 1 1 21  11 7  o 661.7639 16.99588 103.2453       5.290734  110.0788       6.442462  89.09038       9.272242  682.9977 20.05226 612.0118 32.32202 70.98584       38.03690 
1 1 1 21  11 8  o 357.9386 22.47465 30.38424       3.764966  30.20325       4.391983  30.88585       7.311697  356.3102 26.39140 356.6868 44.54884 -0.3765564     51.77939 
1 1 1 21  11 9  o 539.2838 15.91720 68.56613       4.037879  62.90017       5.445652  75.48567       6.017993  515.9152 22.43893 565.1537 22.63684 -49.23846      31.87369 
1 1 1 21  11 10 o 293.5101 24.94846 20.53668       3.411921  21.99465       5.208299  19.44063       4.515821  301.3904 37.55088 283.7389 34.54670 17.65155       51.02493 
1 1 1 21  11 11 f 596.9760 20.80622 84.23926       5.842778  86.44472       7.978376  81.68848       8.580291  603.5062 28.10370 585.2344 31.28084 18.27185       42.05127 
1 1 1 21  11 12 o 1140.834 16.36313 307.1711       8.781285  318.6859       12.79906  296.9305       12.07019  1159.918 23.45750 1119.807 22.91404 40.11072       32.79188 
1 1 1 21  11 13 o 441.1210 18.88285 46.00344       3.918272  52.35494       5.638308  40.07111       5.449084  468.8909 25.66008 409.4087 28.47131 59.48218       38.32825 
1 1 1 21  11 14 o 784.4025 16.02030 145.3234       5.911245  150.9950       8.522642  140.0657       8.205877  797.8821 22.70734 768.4657 22.70028 29.41644       32.10804 
1 1 1 21  11 15 o 365.3128 32.35518 32.22665       5.502522  33.97741       9.173008  31.24257       6.877251  366.7283 54.85915 356.5933 41.79145 10.13504       68.96413 
1 1 1 21  11 16 o 420.1073 20.48052 41.87171       4.047348  41.13787       5.553292  42.70314       5.911076  413.7516 28.71027 421.1700 30.03275 -7.418335      41.54811 
1 1 1 21  11 17 o 717.4949 17.16294 121.9146       5.792684  118.0956       8.035775  126.0460       8.357903  703.7659 24.27338 727.0016 24.43952 -23.23572      34.44542 
1 1 1 21  11 18 o 369.5949 22.54387 32.67476       3.900697  39.05786       5.742370  27.20601       5.315198  401.4868 30.63666 333.3466 34.39047 68.14029       46.05767 
1 1 1 21  11 19 o 163.0195 45.77562 6.838912       3.654556  1.436088       5.591769  10.86741       4.828481  129.3692 54.32413 203.5782 50.63179 -74.20895      74.26096 
1 1 1 21  11 20 o 245.3526 38.34886 15.13817       4.281139  11.51344       5.049215  24.40844       8.074810  208.4440 51.73735 301.5690 59.03465 -93.12503      78.49741 
1 1 1 21  11 21 o 117.7417 44.62698 2.723517       3.398845  0.5559086      4.589996  5.354954       5.057296  113.3725 48.47445 151.3948 54.97755 -38.02234      73.29600 
1 1 1 21  11 22 o 243.4539 36.93364 14.93928       4.096915  19.32196       5.178156  7.604043       6.699033  275.3841 41.24217 174.0668 63.26518 101.3172       75.52086 
1 1 1 21  11 23 o 294.2623 29.08881 21.25702       3.973799  20.78722       5.520180  21.76232       5.725015  284.4490 42.56342 290.8172 43.15861 -6.368195      60.61609 
1 1 1 21  11 24 o 168.9484 44.96930 7.583112       3.636984  9.953888       5.025646  4.976196       5.269995  190.3603 53.76004 147.3631 55.63808 42.99719       77.36755 
1 1 1 21  11 25 o 337.4449 44.83774 29.82549       6.941095  22.95185       9.898776  36.47444       9.735638  270.5965 75.10936 360.7296 59.44479 -90.13315      95.78674 
1 1 1 21  11 26 o 301.3381 31.96917 22.79576       4.462421  26.66469       7.397010  20.58205       5.595271  310.9844 52.42955 278.5386 44.17836 32.44574       68.56081 
1 1 1 21  11 27 o 163.7577 54.03360 7.593878       4.832445  2.597206       6.161500  15.57967       7.789418  133.0368 56.50397 220.8176 68.15979 -87.78084      88.53505 
1 1 1 21  11 28 o 151.5848 49.93389 6.490314       4.127586  8.579073       5.779770  4.316290       5.896559  169.0497 59.04946 139.2584 56.86796 29.79135       81.98050 
1 1 1 21  11 29 f 94.50488 42.14134 -0.2780524     3.800689  0.5517242      5.277902  -1.171819      5.477632  112.4486 49.93024 106.2702 48.65778 6.178360       69.71806 
1 1 1 21  11 30 o 220.1051 57.11065 15.63020       5.964012  0.000000       0.000000  15.63020       5.964012  ?        ?        220.1051 57.11065 0.000000       57.11065 
1 1 1 21  13 0  o 542.5234 15.43817 69.36602       3.939887  79.45898       8.656168  66.72877       4.424786  577.8936 31.96684 531.9442 17.68304 45.94934       36.53175 
1 1 1 21  13 1  o 263.6841 18.94024 16.48637       2.333649  17.55054       6.208213  16.31126       2.518341  265.9565 51.48408 262.0784 20.59328 3.878113       55.44992 
1 1 1 21  13 2  f 277.2082 20.98337 18.24343       2.715943  27.37812       6.812727  16.51735       2.961447  335.6830 44.22050 263.2622 24.18406 72.42075       50.40160 
1 1 1 21  13 3  o 442.6128 19.15673 46.22173       3.988547  58.26398       8.219218  42.51244       4.561656  493.8043 35.62315 423.5762 22.97999 70.22806       42.39208 
1 1 1 21  13 4  o 659.4403 17.77234 102.5621       5.513019  98.69204       9.663577  104.4294       6.712541  644.9189 31.85396 664.9975 21.45841 -20.07855      38.40753 
1 1 1 21  13 5  o 497.7467 16.99438 58.42399       3.979083  70.51130       8.782568  55.30200       4.463473  543.5422 34.52853 484.0564 19.60233 59.48581       39.70479 
1 1 1 21  13 6  o 1050.862 17.76809 260.5156       8.783259  250.6837       16.03949  264.7266       10.49701  1027.016 33.20045 1058.675 21.07821 -31.65930      39.32634 
1 1 1 21  13 7  o 424.8459 16.80510 42.57365       3.358473  43.65944       4.760406  41.49767       4.738863  428.9850 23.68198 418.1176 24.19730 10.86740       33.85773 
1 1 1 21  13 8  o 460.0487 19.61111 49.98726       4.243999  48.28385       4.960792  54.63734       8.196393  451.1395 23.45695 477.1180 36.80411 -25.97842      43.64368 
1 1 1 21  13 9  o 793.7836 17.48204 148.7337       6.527749  154.1248       7.988624  137.9013       11.32400  807.3912 21.03384 761.2245 31.62406 46.16663       37.98031 
1 1 1 21  13 10 o 810.7482 16.52819 155.1468       6.303484  167.3603       10.43210  148.1233       7.910968  839.7634 26.40861 791.2747 21.25362 48.48871       33.89884 
1 1 1 21  13 11 o 216.2804 29.87174 11.34344       2.957994  13.24696       4.074511  9.222258       4.301157  231.9441 38.70838 191.2629 47.90850 40.68120       61.59191 
1 1 1 21  13 12 o 138.6391 41.03045 4.717285       2.864230  8.230844       3.920166  0.6936901      4.195057  180.6733 46.00345 112.4513 47.12786 68.22195       65.85858 
1 1 1 21  13 13 o 743.9572 15.79377 130.7414       5.527172  140.7645       7.967382  121.4427       7.674069  770.3910 21.98544 715.3405 22.80571 55.05054       31.67744 
1 1 1 21  13 14 o 250.0016 30.97477 15.18642       3.564676  15.38020       4.386817  14.80975       6.116064  249.4836 38.62836 239.5618 55.38094 9.921829       67.52184 
1 1 1 21  13 15 o 899.1312 16.38746 191.2409       6.931128  188.2091       9.638783  194.4872       9.974000  889.4921 23.03620 904.0194 23.45429 -14.52734      32.87507 
1 1 1 21  13 16 o 217.1553 43.33393 11.95088       4.271457  3.935791       8.342132  14.79898       4.972795  165.3972 67.60255 241.5068 45.44020 -76.10957      81.45501 
1 1 1 21  13 17 o 109.1834 43.31004 1.757937       3.314448  -3.046968      4.806179  6.115335       4.576897  98.42428 45.25368 157.9354 52.60829 -59.51112      69.39400 
1 1 1 21  13 18 o 336.4984 29.65289 27.51493       4.645770  21.64983       6.239891  34.80975       6.958997  291.0050 47.20044 374.0829 40.17601 -83.07788      61.98381 
1 1 1 21  13 19 o 147.3654 48.86973 5.362867       3.951107  6.410501       4.544342  2.117717       7.998038  159.4592 52.38770 151.2956 64.32040 8.163620       82.95531 
1 1 1 21  13 20 o 201.4361 38.89604 10.33395       3.552176  9.012810       4.815583  11.91078       5.260985  184.2249 52.82967 211.1055 53.04378 -26.88052      74.86398 
1 1 1 21  13 21 o 222.6915 35.57534 12.46377       3.601253  16.16622       5.097135  8.773491       5.088757  249.9742 45.00225 181.2713 54.92872 68.70290       71.00963 
1 1 1 21  13 22 o 326.2379 26.99657 25.91463       4.105748  23.78551       5.600372  28.38868       6.036987  306.4802 39.78437 335.6364 38.96164 -29.15622      55.68488 
1 1 1 21  13 23 o 202.3012 38.21695 10.50990       3.503552  8.024581       4.739793  13.50348       5.201931  172.6629 53.14757 223.8532 50.59096 -51.19032      73.37649 
1 1 1 21  13 24 o 97.01614 43.79057 -1.417204      4.244047  -4.747325      8.034199  -0.1282792     4.998346  121.3167 56.71139 111.9979 49.20755 9.318878       75.08372 
1 1 1 21  13 25 o 261.9828 33.77647 17.35695       4.065577  9.506540       6.017388  23.95038       5.514640  182.5230 60.29882 304.7650 39.38815 -122.2421      72.02342 
1 1 1 21  13 26 o 115.6086 45.62051 2.572896       3.659781  9.702736       6.091051  -1.455342      4.578359  181.7493 60.69469 99.32688 45.09446 82.42243       75.61320 
1 1 1 21  13 27 o 130.5070 45.54490 4.423115       3.438040  5.353746       5.836734  3.928667       4.254434  146.6604 57.69566 129.4188 49.71814 17.24161       76.16221 
1 1 1 21  13 28 f 336.6521 45.27048 31.33175       6.987403  31.33175       6.987403  0.000000       0.000000  336.6521 45.27048 ?        ?        0.000000       45.27048 
1 1 1 21  13 29 o 182.3932 47.00035 9.761479       4.057712  11.77170       5.658700  7.633770       5.821714  190.7201 57.95247 156.5607 58.60744 34.15945       82.42161 
1 1 1 21  15 0  o 771.2168 14.58709 140.2133       5.291933  138.2580       10.89686  140.8168       6.053737  762.9108 30.36394 772.6055 16.65698 -9.694702      34.63270 
1 1 1 21  15 1  o 538.5898 13.59652 68.36246       3.444730  73.98930       8.554633  67.27353       3.763320  556.7262 32.81063 534.1700 14.97691 22.55621       36.06723 
1 1 1 21  15 2  o 201.4805 25.88333 9.771653       2.396414  8.650417       6.049034  9.980387       2.609962  189.2286 60.30391 203.2648 28.04299 -14.03618      66.50542 
1 1 1 21  15 3  o 250.9224 24.61376 15.04800       2.867869  9.774079       6.234488  16.46348       3.229878  199.0451 60.90217 262.2405 26.54868 -63.19539      66.43724 
1 1 1 21  15 4  o 343.4481 19.34872 27.94893       3.113221  31.56956       7.524864  27.20120       3.419611  359.5078 45.51552 338.5023 21.58816 21.00549       50.37570 
1 1 1 21  15 5  o 241.8225 26.55840 14.03092       2.971368  21.82521       7.199395  12.43064       3.262171  295.4568 53.78172 226.4864 31.46970 68.97047       62.31224 
1 1 1 21  15 6  o 846.4080 15.42882 168.9960       6.143016  178.7158       13.40717  166.4133       6.911157  865.9031 32.91536 839.5620 17.49962 26.34113       37.27812 
1 1 1 21  15 7  o 381.5399 19.82570 34.50642       3.546002  41.29013       8.193496  32.94299       3.933454  411.9919 42.90722 372.3412 22.56412 39.65063       48.47854 
1 1 1 21  15 8  o 84.07291 35.67156 0.1043987      2.451634  2.716804       3.367806  -2.840657      3.575802  119.9093 44.63710 83.52417 38.62795 36.38509       59.03041 
1 1 1 21  15 9  o 325.1059 25.64805 25.25571       3.890514  21.49227       4.676970  33.70987       7.009833  297.8907 33.98462 371.9313 40.73196 -74.04068      53.04760 
1 1 1 21  15 10 o 113.2395 41.89280 2.473313       2.957324  -2.266654      3.285858  22.68431       6.785079  81.79460 37.53743 301.1323 49.62840 -219.3377      62.22569 
1 1 1 21  15 11 o 527.9777 16.52508 65.87816       4.104200  72.92885       5.684132  58.19851       5.932246  554.5397 21.79025 493.9645 25.61815 60.57520       33.63190 
1 1 1 21  15 12 o 171.0883 35.79242 7.301785       2.788023  8.331923       3.695682  5.941149       4.247349  181.4413 43.79872 156.5522 50.59926 24.88902       66.92243 
1 1 1 21  15 13 o 297.9707 31.60110 21.53912       4.361800  21.53912       4.361800  0.000000       0.000000  297.9707 31.60110 ?        ?        0.000000       31.60110 
1 1 1 21  15 14 o 325.3358 22.46631 25.29665       3.417149  27.22207       4.785096  23.29288       4.881502  335.3130 30.67682 308.8776 34.16909 26.43539       45.91943 
1 1 1 21  15 15 o 329.4929 22.78705 25.98484       3.510166  24.98986       4.710881  27.22679       5.263157  320.5213 31.65840 333.8674 33.98608 -13.34616      46.44683 
1 1 1 21  15 16 o 266.1798 34.54001 17.46413       4.222859  15.63912       8.373506  18.08660       4.890276  238.5735 70.02790 268.9985 39.85255 -30.42505      80.57377 
1 1 1 21  15 17 o 149.4599 42.28597 5.691710       3.106396  9.785401       4.293249  1.193693       4.500274  193.9626 47.44551 117.3051 48.95885 76.65747       68.17658 
1 1 1 21  15 18 o 470.1977 28.50294 53.52427       6.274567  0.000000       0.000000  53.52427       6.274567  ?        ?        470.1977 28.50294 0.000000       28.50294 
1 1 1 21  15 19 o 130.2746 43.76965 4.081236       3.167840  3.103088       4.268671  5.280298       4.726188  128.5139 49.68420 149.6177 53.29423 -21.10373      72.86147 
1 1 1 21  15 20 o 146.6409 43.51835 5.514067       3.218806  8.117970       4.492391  2.767031       4.614210  175.2838 51.24781 128.3849 51.04608 46.89894       72.33284 
1 1 1 21  15 21 o 288.4964 33.34453 20.64745       4.441791  25.57831       5.316552  9.250893       8.082681  320.2007 35.91615 188.5995 69.34788 131.6013       78.09672 
1 1 1 21  15 22 o 339.6421 24.23828 27.93362       3.847085  23.22691       5.124079  34.01418       5.824099  303.9956 36.56619 370.1456 33.82306 -66.14999      49.81049 
1 1 1 21  15 23 o 133.4564 45.30718 4.428013       3.394654  6.128053       4.700178  2.574237       4.908102  154.2770 53.28579 127.5696 51.96467 26.70735       74.42918 
1 1 1 21  15 24 o 192.8536 41.42645 9.822127       3.646046  1.205113       5.478486  16.67324       4.884978  122.9358 52.77127 251.9902 42.73782 -129.0544      67.90676 
1 1 1 21  15 25 o 218.3066 51.11797 13.32799       5.156956  0.000000       0.000000  13.32799       5.156956  ?        ?        218.3066 51.11797 0.000000       51.11797 
1 1 1 21  15 26 o 97.78358 41.31394 0.8809531      3.266388  -0.5074317E-02 5.008911  1.536525       4.308538  110.0892 48.77343 112.6563 47.51529 -2.567116      68.09222 
1 1 1 21  15 27 o 100.3309 43.24487 0.6956064      3.707798  5.098098       5.139803  -4.081451      5.353989  140.8948 54.50528 95.20613 45.05564 45.68863       70.71659 
1 1 1 21  15 28 o 82.96477 38.75317 -2.377872      3.740102  -1.633175      5.018090  -3.308562      5.609849  99.92697 46.05410 99.00246 46.62830 0.9245071      65.53761 
1 1 1 21  17 0  o 321.5507 17.13387 24.48995       2.582291  21.52497       6.521495  25.04126       2.812141  293.9803 48.87449 324.9774 18.47190 -30.99713      52.24871 
1 1 1 21  17 1  o 813.8647 17.42235 156.4691       6.670037  163.3472       12.03337  153.4186       8.013785  827.7220 30.90534 805.0640 21.16109 22.65796       37.45573 
1 1 1 21  17 2  o 314.8594 17.59316 23.49305       2.595310  28.68015       6.952014  22.65308       2.797564  341.8094 44.27769 308.9162 19.34936 32.89319       48.32093 
1 1 1 21  17 3  o 344.1111 15.88358 27.95330       2.571085  22.90131       6.960503  28.75152       2.766757  302.7844 50.65922 348.9088 16.85737 -46.12442      53.39033 
1 1 1 21  17 4  o 235.5677 22.97822 13.27649       2.513831  20.69560       7.030421  12.18889       2.691790  286.2396 54.19793 225.0858 25.89469 61.15384       60.06622 
1 1 1 21  17 5  o 743.6675 14.58423 130.5008       5.101894  136.2664       11.86673  129.1935       5.650808  754.7102 33.42580 739.6440 16.24122 15.06622       37.16263 
1 1 1 21  17 6  o 352.5281 22.39546 29.57936       3.694569  20.01784       6.852483  33.49788       4.386781  281.1802 53.76721 374.7101 25.03153 -93.52991      59.30843 
1 1 1 21  17 7  o 131.0796 47.82220 3.505718       3.832957  12.62782       6.833673  -0.6813592     4.629798  221.2549 62.76027 109.1084 47.66211 112.1465       78.80691 
1 1 1 21  17 8  o 359.1808 23.49026 30.76445       3.947040  0.000000       0.000000  30.76445       3.947040  ?        ?        359.1808 23.49026 0.000000       23.49026 
1 1 1 21  17 9  o 880.2578 17.94783 183.3405       7.431750  209.8989       15.35499  175.2159       8.492747  934.1124 34.94467 859.5858 21.00340 74.52655       40.77098 
1 1 1 21  17 10 o 651.4848 15.21796 100.2864       4.663695  97.30821       6.387717  103.6861       6.824890  640.3588 21.20572 660.8006 21.95614 -20.44177      30.52465 
1 1 1 21  17 11 o 217.1658 30.85476 11.52752       3.063337  12.21553       3.488924  9.212248       6.400242  222.7009 34.41375 191.2315 62.13996 31.46945       71.03295 
1 1 1 21  17 12 o 335.9218 23.14550 26.98881       3.635095  26.44143       4.280889  28.40369       6.882561  331.2904 27.72471 337.4699 44.43621 -6.179474      52.37591 
1 1 1 21  17 13 f 291.6559 22.74960 20.38013       3.096462  22.64278       4.078947  17.30280       4.756938  305.9246 28.67894 263.6114 39.58419 42.31323       48.88139 
1 1 1 21  17 14 o 534.0101 16.60164 67.56163       4.170324  68.37141       5.645307  66.58889       6.187350  535.6074 22.40638 527.7576 24.92303 7.849731       33.51423 
1 1 1 21  17 15 o 356.0625 20.40461 30.26549       3.403376  31.36362       4.456975  28.72960       5.270980  360.7027 26.45213 342.7803 33.10114 17.92239       42.37217 
1 1 1 21  17 16 o 234.0580 27.91072 13.35811       3.012404  10.33828       3.866144  18.02456       4.805957  200.9886 42.23405 268.2791 39.24273 -67.29050      57.65160 
1 1 1 21  17 17 o 123.1311 47.07964 2.878760       3.803613  2.098692       7.352680  3.163790       4.444520  146.8155 62.00501 130.7532 50.65612 16.06232       80.06663 
1 1 1 21  17 18 f 267.4004 26.11275 17.34975       3.242692  13.92058       4.177726  22.54665       5.143014  234.6662 39.23094 300.8510 37.12870 -66.18477      54.01488 
1 1 1 21  17 19 o 595.9675 17.49383 84.44356       4.904296  82.64459       6.545653  86.74590       7.405024  586.9587 23.70697 600.0325 26.23508 -13.07379      35.35958 
1 1 1 21  17 20 o 190.2264 39.59810 9.308126       3.428119  7.953024       4.171166  12.12842       6.017537  173.3178 48.98752 209.9488 58.66350 -36.63097      76.42764 
1 1 1 21  17 21 f 98.44284 40.87436 0.9223278      3.113693  0.3433033      4.170776  1.651352       4.679929  106.7507 45.93908 120.2932 50.04248 -13.54244      67.93121 
1 1 1 21  17 22 o 173.6914 46.84803 8.084527       3.915585  8.246760       4.558299  7.627825       7.648025  174.2978 51.80175 174.2662 66.72852 0.3163147E-01  84.47553 
1 1 1 21  17 23 o 265.6549 29.80647 17.54026       3.660503  24.28359       5.919797  13.36576       4.657701  305.4745 42.33474 223.4764 45.84452 81.99809       62.40152 
1 1 1 21  17 24 o 192.4515 40.40099 9.813446       3.540969  14.09929       5.734643  7.172463       4.501644  222.2009 55.12851 161.3116 52.08722 60.88925       75.84347 
1 1 1 21  17 25 o 93.60905 40.04980 0.5053176      3.136802  11.53686       5.420395  -5.049377      3.846298  198.2032 55.78123 75.24851 36.29146 122.9547       66.54785 
1 1 1 21  17 26 o 96.63917 44.76843 -2.344531      4.832757  0.000000       0.000000  -2.344531      4.832757  ?        ?        96.63917 44.76843 0.000000       44.76843 
1 1 1 21  19 0  o 448.6447 18.28814 47.63656       3.859591  50.17836       7.621240  46.75982       4.476012  455.1530 35.88694 443.9843 21.43159 11.16870       41.79934 
1 1 1 21  19 1  o 431.4958 17.35760 44.03562       3.523187  55.38050       7.879817  41.20095       3.938826  478.5695 35.25088 416.9863 20.08056 61.58325       40.56911 
1 1 1 21  19 2  o 201.0474 20.97661 9.685573       1.954609  9.390607       6.823959  9.711936       2.040088  194.7029 64.20773 201.1545 21.91463 -6.451599      67.84456 
1 1 1 21  19 3  o 524.8096 13.04775 64.98595       3.221117  75.62426       9.430757  63.58098       3.427223  559.2252 36.04205 518.9760 14.03867 40.24921       38.67962 
1 1 1 21  19 4  o 365.4207 15.67261 31.55323       2.694039  37.63377       7.925513  30.75887       2.864614  390.7649 43.87454 360.6573 16.88504 30.10764       47.01149 
1 1 1 21  19 5  o 297.9001 17.84214 21.07562       2.488761  20.36861       6.834191  21.18371       2.672251  282.5871 53.36821 298.4512 19.13501 -15.86414      56.69492 
1 1 1 21  19 6  o 215.4612 26.40192 11.22918       2.619934  19.85732       7.227026  9.923699       2.811159  277.1964 57.31739 201.3644 30.64466 75.83205       64.99522 
1 1 1 21  19 7  f 436.2254 18.82866 45.08713       3.863666  0.000000       0.000000  45.08713       3.863666  ?        ?        436.2254 18.82866 0.000000       18.82866 
1 1 1 21  19 8  o 273.8470 24.71455 18.01117       3.149376  18.30559       7.463148  17.94739       3.473831  263.7287 61.31958 272.7051 27.45306 -8.976440      67.18454 
1 1 1 21  19 9  o 664.6032 16.56125 104.5368       5.177557  107.9964       11.67191  103.6893       5.777045  666.1370 37.39981 661.3758 18.56898 4.761230       41.75587 
1 1 1 21  19 10 o 118.4389 43.78420 2.813275       3.229217  -9.598693      6.906878  6.285377       3.653068  101.1215 48.73606 157.7297 46.24105 -56.60818      67.18213 
1 1 1 21  19 11 o 395.1712 19.49409 37.08089       3.623744  42.26089       4.525974  27.82997       6.048390  420.4974 22.96815 335.6034 39.04249 84.89404       45.29737 
1 1 1 21  19 12 o 512.2230 18.84292 62.29020       4.540216  67.14430       5.438665  51.12961       8.246721  530.9785 21.77440 455.7850 38.83413 75.19342       44.52206 
1 1 1 21  19 13 o 209.2406 32.53033 10.82541       3.097867  12.05438       3.578049  7.146255       6.190853  219.9822 35.80901 172.3567 61.03822 47.62552       70.76687 
1 1 1 21  19 14 o 118.1356 39.62979 3.272798       2.596892  5.035406       3.318987  0.4902057      4.170158  142.2273 44.58931 109.2018 46.43515 33.02555       64.37725 
1 1 1 21  19 15 o 335.1957 20.41425 26.85192       3.203515  25.92492       4.250128  28.07141       4.874739  327.0996 27.88823 339.3725 30.87316 -12.27289      41.60415 
1 1 1 21  19 16 o 94.39163 38.79792 0.8774711      2.767032  3.938764       3.736379  -2.840554      4.117700  132.3493 47.36014 89.99956 41.56252 42.34970       63.01131 
1 1 1 21  19 17 o 128.2932 40.93105 4.054828       2.786166  -0.5692723E-01 3.578381  10.38523       4.440055  97.93767 42.34765 198.9631 47.99445 -101.0255      64.00617 
1 1 1 21  19 18 o 348.8631 27.67658 29.57603       4.504599  31.51011       9.114924  28.95101       5.181583  342.3916 58.70570 343.0727 32.49488 -0.6810608     67.09900 
1 1 1 21  19 19 o 273.8719 27.22141 18.30807       3.460466  16.68603       4.140481  22.06599       6.302203  258.3162 34.97379 290.9570 47.69969 -32.64081      59.14750 
1 1 1 21  19 20 o 99.80363 39.73141 1.518242       2.798573  -2.660293      3.591223  7.979688       4.465757  82.75639 38.42671 172.5527 51.27097 -89.79635      64.07281 
1 1 1 21  19 21 o 220.3826 31.93502 12.17298       3.214188  15.88729       4.320861  7.571318       4.809378  249.3784 38.03757 167.6490 53.80727 81.72932       65.89445 
1 1 1 21  19 22 o 85.33601 37.97281 -0.7094192     3.068527  -3.665280      4.452440  1.964581       4.234838  89.10474 41.83252 116.9604 48.02705 -27.85567      63.69110 
1 1 1 21  19 23 o 234.8076 40.82236 14.51127       4.345307  14.14982       5.370831  15.19620       7.393370  224.8236 51.84388 222.7180 65.92262 2.105576       83.86644 
1 1 1 21  19 24 o 160.8700 56.06733 7.285970       5.209343  7.285970       5.209343  0.000000       0.000000  160.8700 56.06733 ?        ?        0.000000       56.06733 
1 1 1 21  19 25 o 128.2456 46.05168 4.222714       3.535687  1.673603       5.090161  6.599288       4.914877  118.7920 50.92607 152.8396 54.35772 -34.04759      74.48642 
1 1 1 21  21 0  o 304.6355 21.59137 22.17138       3.074024  19.94055       6.919266  22.71998       3.431241  277.5129 54.94798 307.8730 23.87929 -30.36005      59.91245 
1 1 1 21  21 1  o 608.4721 15.12001 87.54071       4.327748  86.68253       9.701451  87.75392       4.835545  597.9229 34.64072 608.8174 16.88453 -10.89459      38.53657 
1 1 1 21  21 2  o 140.8579 28.71250 4.920555       1.837953  -3.986326      6.096544  5.811003       1.927637  110.0625 50.73829 153.5926 27.69904 -43.53001      57.80667 
1 1 1 21  21 3  o 621.0158 13.08495 91.06755       3.822469  89.44710       10.16732  91.33429       4.125097  606.7901 35.77871 621.7258 14.10477 -14.93567      38.45856 
1 1 1 21  21 4  o 373.6275 14.19789 32.98836       2.495352  37.84186       7.856719  32.44384       2.631611  390.4704 43.51452 370.4167 15.10295 20.05371       46.06097 
1 1 1 21  21 5  o 153.1023 28.50116 5.790685       1.977108  17.81213       6.887129  4.711011       2.063984  260.6732 57.69180 137.1525 32.49071 123.5207       66.21170 
1 1 1 21  21 6  o 142.9797 33.41314 5.128234       2.206876  0.000000       0.000000  5.128234       2.206876  ?        ?        142.9797 33.41314 0.000000       33.41314 
1 1 1 21  21 7  o 281.0310 20.35053 18.86136       2.672077  21.86980       7.704607  18.45003       2.848899  288.5921 58.75124 277.5797 21.99841 11.01245       62.73467 
1 1 1 21  21 8  o 406.9631 17.45364 39.25533       3.341261  34.66112       8.377316  40.12442       3.643616  369.9658 49.36827 411.1831 18.83771 -41.21729      52.84018 
1 1 1 21  21 9  o 375.5892 22.26586 33.72127       3.916341  25.25862       7.962857  36.42149       4.497955  311.2790 56.46056 389.6891 24.66457 -78.41016      61.61279 
1 1 1 21  21 10 o 362.8273 20.88991 31.42417       3.550317  31.53984       8.537706  31.39998       3.903859  349.9197 53.57389 362.1163 23.03776 -12.19659      58.31724 
1 1 1 21  21 11 o 274.1752 25.36806 18.13705       3.234701  16.16528       7.629470  18.56915       3.571595  243.8567 65.23529 276.7589 27.81048 -32.90225      70.91590 
1 1 1 21  21 12 o 333.3892 25.19998 26.75370       3.922853  18.06481       7.872919  29.62341       4.524520  257.4965 64.99238 350.0962 27.69981 -92.59964      70.64906 
1 1 1 21  21 13 o 368.8388 21.02121 32.51230       3.632131  34.08197       4.230690  28.11237       7.083210  376.7747 23.99532 332.7496 46.52495 44.02505       52.34832 
1 1 1 21  21 14 o 394.2940 21.18243 37.17072       3.914454  37.98108       4.489574  34.60167       7.993799  397.6323 24.11634 368.8455 47.15134 28.78680       52.96080 
1 1 1 21  21 15 o 370.8840 20.47289 32.88667       3.557963  35.76100       5.041917  30.03548       5.021583  384.1107 28.09924 350.8181 30.73916 33.29257       41.64688 
1 1 1 21  21 16 o 706.7248 15.81566 118.4841       5.257835  115.7624       6.962724  122.0954       8.020336  696.1681 21.26159 713.5217 23.89550 -17.35364      31.98516 
1 1 1 21  21 17 o 248.0877 25.09766 14.95185       2.888632  15.18529       3.703714  14.58934       4.615394  247.4081 32.61929 238.1975 42.76250 9.210617       53.78336 
1 1 1 21  21 18 o 170.1695 36.63028 7.418440       2.845366  5.471896       3.393442  12.02735       5.221645  145.8476 44.98282 210.8619 52.76938 -65.01430      69.34019 
1 1 1 21  21 19 o 300.5266 22.61713 21.83013       3.173903  18.09747       4.145380  27.11828       4.934095  269.1398 33.46546 330.8562 32.10711 -61.71634      46.37676 
1 1 1 21  21 20 o 316.1965 22.46111 24.19701       3.319119  20.62350       4.487774  28.51196       4.931415  286.6291 33.94382 339.0608 31.27133 -52.43173      46.15278 
1 1 1 21  21 21 o 272.1522 24.64313 18.11538       3.120619  17.22175       4.448994  18.98084       4.378298  258.9339 37.62738 273.6291 34.80278 -14.69519      51.25479 
1 1 1 21  21 22 o 217.0907 30.94373 11.90441       3.070541  15.47860       5.007465  9.750691       3.887088  238.9940 46.21277 189.5888 44.37118 49.40526       64.06577 
1 1 1 21  21 23 f 82.49715 36.73372 -0.5847472     2.876634  -4.039834      4.541475  1.730311       3.717478  87.51620 41.43960 108.7721 44.87005 -21.25588      61.07833 
1 1 1 21  23 0  o 116.2033 37.26102 3.241981       2.306712  -4.571939      5.766437  4.730556       2.516857  103.6864 48.32713 137.0297 37.81179 -33.34325      61.36158 
1 1 1 21  23 1  o 679.2606 15.38718 109.2035       4.916599  101.9620       10.12515  111.4378       5.624173  648.1390 33.32234 685.5646 17.43978 -37.42554      37.61016 
1 1 1 21  23 2  o 351.4232 14.67829 29.21194       2.426471  28.00832       7.062258  29.37305       2.583765  333.1658 46.31511 352.2631 15.59253 -19.09732      48.86938 
1 1 1 21  23 3  o 629.5531 12.91372 93.62705       3.824310  78.29965       9.566843  96.54215       4.172160  566.3405 36.09860 639.0627 13.87868 -72.72223      38.67463 
1 1 1 21  23 4  o 374.8015 14.12403 33.21304       2.490172  34.21522       7.671897  33.09502       2.632715  369.4043 45.08561 374.0159 14.96389 -4.611603      47.50400 
1 1 1 21  23 5  o 238.5668 19.33929 13.60387       2.151623  0.000000       0.000000  13.60387       2.151623  ?        ?        238.5668 19.33929 0.000000       19.33929 
1 1 1 21  23 6  o 550.2676 13.33747 71.55276       3.452366  61.35553       10.08109  72.90756       3.674557  496.8041 43.57756 555.3066 14.06705 -58.50250      45.79177 
1 1 1 21  23 7  o 198.4427 23.49928 9.523758       2.151001  0.000000       0.000000  9.523758       2.151001  ?        ?        198.4427 23.49928 0.000000       23.49928 
1 1 1 21  23 8  o 261.9049 21.84502 16.45139       2.666763  29.57789       7.743292  14.68495       2.840534  340.4754 49.82129 246.6323 24.82112 93.84315       55.66192 
1 1 1 21  23 9  o 398.1902 17.34741 37.60406       3.249335  40.90369       8.258152  36.99964       3.534431  404.2281 44.14751 394.6428 19.03908 9.585266       48.07795 
1 1 1 21  23 10 o 212.8153 29.86519 11.11802       2.907457  2.427468       6.701535  13.13308       3.226975  144.4562 59.97124 231.4559 30.37174 -86.99969      67.22346 
1 1 1 21  23 11 o 112.4014 40.98797 2.638380       2.815219  5.258621       6.560207  2.046921       3.116801  160.2219 61.69053 109.3707 42.40691 50.85123       74.86032 
1 1 1 21  23 12 f 165.6024 39.01677 7.004108       2.989461  10.23781       7.123310  6.312816       3.293536  196.8844 65.63340 156.8016 43.24881 40.08282       78.60154 
1 1 1 21  23 13 o 184.8765 35.06562 8.603968       2.937948  1.287158       6.840382  10.25901       3.253301  138.6075 59.21786 202.1413 35.50943 -63.53380      69.04835 
1 1 1 21  23 14 o 289.6010 22.25425 20.17193       3.008481  22.17301       4.085874  17.80235       4.446197  301.3918 29.18491 267.0450 36.33805 34.34689       46.60700 
1 1 1 21  23 15 o 373.4668 21.76614 33.47896       3.807291  34.38854       4.334970  30.41023       7.962416  377.5025 24.54499 340.9499 51.23011 36.55264       56.80652 
1 1 1 21  23 16 o 162.6529 33.70954 6.713741       2.494457  5.412344       3.270470  8.523826       3.857046  145.0855 44.05103 179.8618 45.54180 -34.77629      63.36047 
1 1 1 21  23 17 o 258.2513 24.59313 16.22164       2.951534  16.28503       3.706509  16.11177       4.879476  256.1610 31.41838 249.2906 43.17375 6.870468       53.39558 
1 1 1 21  23 18 o 353.6503 28.54069 30.69691       4.707526  0.000000       0.000000  30.69691       4.707526  ?        ?        353.6503 28.54069 0.000000       28.54069 
1 1 1 21  23 19 o 295.7054 31.30402 21.78798       4.288193  0.000000       0.000000  21.78798       4.288193  ?        ?        295.7054 31.30402 0.000000       31.30402 
1 1 1 21  23 20 o 105.8181 38.72662 2.472527       2.516399  8.037362       3.677285  -2.428338      3.450941  172.2281 44.92111 81.01405 37.63463 91.21407       58.60266 
1 1 1 21  23 21 o 195.0337 41.63137 10.19359       3.703162  0.000000       0.000000  10.19359       3.703162  ?        ?        195.0337 41.63137 0.000000       41.63137 
1 1 1 21  25 0  o 92.94868 37.20460 1.138838       2.467270  -0.9830559     5.641011  1.640784       2.743618  117.1448 51.83625 101.3887 39.65499 15.75615       65.26495 
1 1 1 21  25 1  o 184.0615 30.86748 8.387533       2.577975  6.810345       5.937521  8.753929       2.861795  168.5710 59.76789 187.3056 33.72026 -18.73457      68.62402 
1 1 1 21  25 2  o 90.37157 33.80606 1.534726       1.936351  -6.209870      5.660771  2.560990       2.060657  96.67223 45.91756 105.2378 35.30187 -8.565559      57.91929 
1 1 1 21  25 3  o 139.2062 31.52788 4.862835       2.016615  4.476814       5.923769  4.913436       2.144718  151.5385 58.54478 139.6876 33.13929 11.85086       67.27335 
1 1 1 21  25 4  o 62.60832 28.44900 -1.042309      1.827281  2.516052       6.125809  -1.389849      1.914437  140.5021 57.73645 61.93593 28.50811 78.56615       64.39108 
1 1 1 21  25 5  o 396.7149 15.30764 37.26439       2.856643  0.000000       0.000000  37.26439       2.856643  ?        ?        396.7149 15.30764 0.000000       15.30764 
1 1 1 21  25 6  o 173.2998 24.27886 7.316007       1.924901  6.596315       6.026000  7.397787       2.031325  167.1666 60.11076 173.9633 25.58731 -6.796692      65.33004 
1 1 1 21  25 7  o 192.4794 22.07528 8.949130       1.962614  7.838883       6.792226  9.050271       2.050061  179.0367 63.87729 193.3634 22.98890 -14.32671      67.88813 
1 1 1 21  25 8  o 162.8905 26.06253 6.517008       1.929689  12.61891       6.770461  5.977499       2.013191  215.7760 62.86436 155.2146 28.62766 60.56139       69.07583 
1 1 1 21  25 9  o 243.6008 21.56647 14.26476       2.445766  11.01962       6.993270  14.71699       2.610627  202.5915 64.86932 247.1767 22.70654 -44.58517      68.72857 
1 1 1 21  25 10 o 161.5341 30.96467 6.521053       2.267251  -4.622474      6.516072  8.056005       2.418365  110.7745 51.54437 180.4049 29.51850 -69.63033      59.39835 
1 1 1 21  25 11 o 109.2694 38.06090 2.697841       2.400440  4.301427       6.765628  2.466907       2.567473  154.2184 61.65133 107.9302 39.17559 46.28821       73.04529 
1 1 1 21  25 12 o 112.3258 39.63825 2.829722       2.608588  -10.79667      6.221248  5.736504       2.873381  89.65973 43.89701 149.3584 40.06760 -59.69870      59.43366 
1 1 1 21  25 13 o 196.3515 33.17993 9.666916       2.955434  0.000000       0.000000  9.666916       2.955434  ?        ?        196.3515 33.17993 0.000000       33.17993 
1 1 1 21  25 14 o 277.0955 22.31578 18.52922       2.884124  12.92509       6.776000  19.76915       3.187252  214.4043 63.01213 285.7372 23.93309 -71.33293      67.40417 
1 1 1 21  25 15 o 193.0035 36.39360 9.511702       3.182975  -0.6150417     6.768145  12.38747       3.606717  126.7852 56.40716 221.1120 35.90801 -94.32679      66.86668 
1 1 1 21  25 16 o 189.1791 44.48116 9.500595       3.891809  9.500595       3.891809  0.000000       0.000000  189.1791 44.48116 ?        ?        0.000000       44.48116 
1 1 1 21  25 17 o 201.1837 37.59832 10.45438       3.427369  10.45438       3.427369  0.000000       0.000000  201.1837 37.59832 ?        ?        0.000000       37.59832 
1 1 1 21  25 18 o 187.1443 35.07243 9.019614       2.974087  13.08970       3.492562  -1.717896      5.672757  226.9808 33.73649 110.1738 50.08696 116.8069       60.38919 
1 1 1 21  27 0  o 363.3572 19.97029 31.55282       3.400304  28.07372       6.728281  32.74619       3.940555  332.6657 44.08157 369.3101 22.79423 -36.64438      49.62622 
1 1 1 21  27 1  f 169.7332 35.85601 7.301091       2.773121  15.12783       5.856599  5.039153       3.148441  238.7148 53.48172 141.3272 43.28550 97.38766       68.80355 
1 1 1 21  27 2  o 419.6633 14.95862 41.72412       2.952990  42.03330       7.341741  41.66445       3.225396  411.4886 38.37165 419.0662 16.36180 -7.577576      41.71441 
1 1 1 21  27 3  o 134.0114 33.58551 4.544347       2.113009  -8.391796      5.282044  7.008907       2.305522  85.35246 41.49136 167.7688 30.33022 -82.41637      51.39509 
1 1 1 21  27 4  o 429.5876 16.09562 43.77284       3.252586  0.000000       0.000000  43.77284       3.252586  ?        ?        429.5876 16.09562 0.000000       16.09562 
1 1 1 21  27 5  o 112.6389 34.62923 3.119260       2.012932  -5.211059      5.323771  4.508832       2.174348  95.59184 45.14353 133.3885 34.42183 -37.79663      56.76972 
1 1 1 21  27 6  o 129.4064 32.25925 4.231266       1.956831  2.796968       5.557881  4.434224       2.090700  136.5657 55.42318 132.3220 33.54334 4.243729       64.78337 
1 1 1 21  27 7  o 333.9366 16.58065 26.47627       2.604562  13.04102       6.331818  29.21257       2.857510  218.4489 59.84880 350.6175 17.32546 -132.1686      62.30611 
1 1 1 21  27 8  o 92.08401 33.90341 1.700920       1.932756  14.01903       5.972302  0.2599328      2.042678  227.6514 56.12604 77.59773 32.72194 150.0536       64.96812 
1 1 1 21  27 9  o 258.3039 18.54748 15.96941       2.238639  14.79786       6.331043  16.13682       2.393248  232.6552 58.04012 259.3584 19.76515 -26.70325      61.31327 
1 1 1 21  27 10 o 410.3636 14.90512 39.94398       2.877223  28.94768       6.693147  42.43665       3.186690  336.8426 43.23927 422.6962 16.02663 -85.85361      46.11385 
1 1 1 21  27 11 o 544.7896 14.39081 70.38595       3.687934  46.70036       7.738085  77.34715       4.195016  431.5401 38.52419 570.6738 15.62703 -139.1337      41.57304 
1 1 1 21  27 12 o 486.3803 37.12992 59.15577       8.430935  0.000000       0.000000  59.15577       8.430935  ?        ?        486.3803 37.12992 0.000000       37.12992 
1 1 1 21  27 13 o 155.9106 51.06594 6.355833       4.319139  0.8112366E-01  6.389682  11.63496       5.860888  126.3087 55.56239 203.8556 58.22539 -77.54695      80.48214 
1 1 1 21  27 14 o 135.0068 50.29531 4.149058       4.277320  -3.326398      6.306510  10.51724       5.820738  110.9317 51.30180 193.2041 58.79176 -82.27238      78.02785 
1 1 1 21  29 0  o 272.7978 21.00943 17.90925       2.675282  17.18490       5.461668  18.13790       3.068622  256.1852 47.05529 273.5814 24.09021 -17.39624      52.86340 
1 1 1 21  29 1  o 108.7358 40.31332 2.439937       2.741450  -1.458680      4.892426  4.224329       3.309895  105.2755 47.31392 131.8453 44.73808 -26.56980      65.11607 
1 1 1 21  29 2  o 267.8742 20.36300 17.24463       2.546701  12.57432       5.366210  18.60230       2.893282  215.6773 53.21888 277.6898 22.33837 -62.01256      57.71700 
1 1 1 21  29 3  o 564.3488 16.16805 75.67603       4.292147  0.000000       0.000000  75.67603       4.292147  ?        ?        564.3488 16.16805 0.000000       16.16805 
1 1 1 21  29 4  o 126.3109 35.34283 4.055775       2.182574  -0.2137337E-01 4.896356  5.066777       2.438207  112.7262 49.13481 140.5302 36.54164 -27.80398      61.23333 
1 1 1 21  29 5  o 243.1649 26.01398 14.43079       2.929456  13.35910       5.266305  14.91100       3.525194  223.1283 51.25323 245.3090 31.25962 -22.18065      60.03380 
1 1 1 21  29 6  o 276.5575 31.08324 18.89944       3.973670  24.08442       5.818309  14.36683       5.439983  307.3662 41.28506 231.3485 51.32962 76.01772       65.87250 
1 1 1 21  29 7  o 270.9340 48.99245 19.40250       6.014151  19.40250       6.014151  0.000000       0.000000  270.9340 48.99245 ?        ?        0.000000       48.99245 
1 1 1 21  29 8  o 226.2526 37.51411 13.03952       3.852746  11.34364       5.337684  14.88407       5.566742  203.2377 54.64754 234.7232 51.80433 -31.48546      75.29969 
1 1 1 21  29 9  o 331.4247 28.83040 26.96694       4.449966  28.71284       6.471820  25.40131       6.128602  334.5014 42.06001 314.0690 42.58055 20.43240       59.85104 
1 1 1 22  0  0  o 571.8580 28.95908 77.64567       7.744499  77.64567       7.744499  77.64567       7.744499  571.8580 28.95908 571.8580 28.95908 0.000000       0.000000 
1 1 1 22  0  1  o 596.2567 19.42658 83.95442       5.435673  83.95442       5.435673  83.95442       5.435673  596.2567 19.42658 596.2567 19.42658 0.000000       0.000000 
1 1 1 22  0  2  o 612.8607 19.83039 88.69548       5.703363  88.69548       5.703363  88.69548       5.703363  612.8607 19.83039 612.8607 19.83039 0.000000       0.000000 
1 1 1 22  0  3  o 94.61073 53.07655 2.839502       3.562975  2.839502       3.562975  2.839502       3.562975  94.61073 53.07655 94.61073 53.07655 0.000000       0.000000 
1 1 1 22  0  4  o 1112.747 21.38031 291.8601       11.18197  291.8601       11.18197  291.8601       11.18197  1112.747 21.38031 1112.747 21.38031 0.000000       0.000000 
1 1 1 22  0  5  o 1363.489 23.33894 438.2205       14.95943  438.2205       14.95943  438.2205       14.95943  1363.489 23.33894 1363.489 23.33894 0.000000       0.000000 
1 1 1 22  0  6  o 1755.382 26.99957 726.5781       22.28262  726.5781       22.28262  726.5781       22.28262  1755.382 26.99957 1755.382 26.99957 0.000000       0.000000 
1 1 1 22  0  7  o 59.72802 41.34354 -3.279786      3.980129  -3.279786      3.980129  -3.279786      3.980129  59.72802 41.34354 59.72802 41.34354 0.000000       0.000000 
1 1 1 22  0  8  o 117.4629 68.19051 4.024971       6.174192  4.024971       6.174192  4.024971       6.174192  117.4629 68.19051 117.4629 68.19051 0.000000       0.000000 
1 1 1 22  0  9  o 2108.504 31.54138 1049.441       31.26838  1049.441       31.26838  1049.441       31.26838  2108.504 31.54138 2108.504 31.54138 0.000000       0.000000 
1 1 1 22  0  10 o 764.4330 22.31631 138.0112       8.009270  138.0112       8.009270  138.0112       8.009270  764.4330 22.31631 764.4330 22.31631 0.000000       0.000000 
1 1 1 22  0  11 o 417.8497 28.47388 41.74937       5.537087  41.74937       5.537087  41.74937       5.537087  417.8497 28.47388 417.8497 28.47388 0.000000       0.000000 
1 1 1 22  0  12 o 305.0178 36.37867 22.90453       5.023572  22.90453       5.023572  22.90453       5.023572  305.0178 36.37867 305.0178 36.37867 0.000000       0.000000 
1 1 1 22  0  13 o 657.2396 24.38507 102.2808       7.515505  102.2808       7.515505  102.2808       7.515505  657.2396 24.38507 657.2396 24.38507 0.000000       0.000000 
1 1 1 22  0  14 o 143.8296 68.08602 7.277538       5.224252  7.277538       5.224252  7.277538       5.224252  143.8296 68.08602 143.8296 68.08602 0.000000       0.000000 
1 1 1 22  0  15 o 82.96902 53.67256 -0.6411723E-01 4.924626  -0.6411723E-01 4.924626  -0.6411723E-01 4.924626  82.96902 53.67256 82.96902 53.67256 0.000000       0.000000 
1 1 1 22  0  16 o 91.02959 56.45921 1.462767       4.827095  1.462767       4.827095  1.462767       4.827095  91.02959 56.45921 91.02959 56.45921 0.000000       0.000000 
1 1 1 22  0  17 o 482.3300 29.16048 55.69461       6.560807  55.69461       6.560807  55.69461       6.560807  482.3300 29.16048 482.3300 29.16048 0.000000       0.000000 
1 1 1 22  0  18 o 417.2935 33.83176 42.19982       6.540607  42.19982       6.540607  42.19982       6.540607  417.2935 33.83176 417.2935 33.83176 0.000000       0.000000 
1 1 1 22  0  19 o 105.7499 68.32587 0.4937575      7.947627  0.4937575      7.947627  0.4937575      7.947627  105.7499 68.32587 105.7499 68.32587 0.000000       0.000000 
1 1 1 22  0  20 o 76.41434 51.05119 -1.437123      5.041393  -1.437123      5.041393  -1.437123      5.041393  76.41434 51.05119 76.41434 51.05119 0.000000       0.000000 
1 1 1 22  0  21 o 155.3169 68.24941 8.591773       5.216866  8.591773       5.216866  8.591773       5.216866  155.3169 68.24941 155.3169 68.24941 0.000000       0.000000 
1 1 1 22  0  22 o 336.7273 40.23898 28.49457       6.133193  28.49457       6.133193  28.49457       6.133193  336.7273 40.23898 336.7273 40.23898 0.000000       0.000000 
1 1 1 22  0  23 o 87.75674 56.22483 0.7576894      5.238212  0.7576894      5.238212  0.7576894      5.238212  87.75674 56.22483 87.75674 56.22483 0.000000       0.000000 
1 1 1 22  0  25 o 104.9547 61.59053 3.637883       5.125664  3.637883       5.125664  3.637883       5.125664  104.9547 61.59053 104.9547 61.59053 0.000000       0.000000 
1 1 1 22  0  26 o 145.8436 79.53832 8.665280       7.746512  8.665280       7.746512  8.665280       7.746512  145.8436 79.53832 145.8436 79.53832 0.000000       0.000000 
1 1 1 22  0  27 o 87.91343 55.78263 1.336265       5.006835  1.336265       5.006835  1.336265       5.006835  87.91343 55.78263 87.91343 55.78263 0.000000       0.000000 
1 1 1 22  0  28 o 128.1565 65.94122 6.566599       5.075678  6.566599       5.075678  6.566599       5.075678  128.1565 65.94122 128.1565 65.94122 0.000000       0.000000 
1 1 1 22  0  29 o 141.3662 76.34126 8.727706       7.071607  8.727706       7.071607  8.727706       7.071607  141.3662 76.34126 141.3662 76.34126 0.000000       0.000000 
1 1 1 22  0  30 o 108.7566 67.54008 4.137931       6.930098  4.137931       6.930098  4.137931       6.930098  108.7566 67.54008 108.7566 67.54008 0.000000       0.000000 
1 1 1 22  0  31 o 64.07166 45.53230 -6.129608      5.877638  -6.129608      5.877638  -6.129608      5.877638  64.07166 45.53230 64.07166 45.53230 0.000000       0.000000 
1 1 1 22  2  0  o 901.6152 14.65314 191.4422       6.214717  191.7658       12.23336  191.3296       7.215097  900.7181 28.87272 901.1490 17.02065 -0.4309692     33.51622 
1 1 1 22  2  1  o 797.2036 13.56312 149.6406       5.086254  151.8726       7.249232  147.4764       7.138153  802.6901 19.19883 790.9883 19.18432 11.70172       27.14099 
1 1 1 22  2  2  o 488.6260 14.86298 56.22852       3.416268  57.10089       4.838558  55.36133       4.824138  492.0896 20.90270 484.5201 21.16599 7.569427       29.74764 
1 1 1 22  2  3  o 542.6561 14.82368 69.35085       3.783991  65.79940       5.221543  73.27887       5.491391  528.2334 21.01376 557.4529 20.94136 -29.21948      29.66679 
1 1 1 22  2  4  o 379.0702 17.61144 33.85958       3.140391  34.13133       4.508788  33.60355       4.376531  379.3676 25.41254 376.4781 24.85256 2.889557       35.54500 
1 1 1 22  2  5  o 272.0042 22.50321 17.57362       2.853457  13.52501       3.963281  21.93092       4.111600  236.0767 36.89639 303.1947 29.18903 -67.11804      47.04618 
1 1 1 22  2  6  o 387.9195 18.16005 35.46611       3.313812  31.04812       4.578328  40.32752       4.802587  361.4962 27.12133 412.5420 24.86405 -51.04587      36.79385 
1 1 1 22  2  7  o 1390.141 19.62444 455.6519       12.83292  449.5703       15.46756  469.0845       22.98741  1380.023 23.82681 1406.774 34.73732 -26.75073      42.12361 
1 1 1 22  2  8  o 559.7167 18.65148 73.85689       4.910783  73.74661       5.890436  74.10821       8.892539  559.0100 22.40054 558.1392 34.03251 0.8708496      40.74305 
1 1 1 22  2  9  o 830.4066 17.90864 162.5576       6.995564  169.3520       12.61775  159.5422       8.405752  845.5353 31.72349 822.2280 21.73277 23.30725       38.45378 
1 1 1 22  2  10 o 279.8440 26.33180 18.67689       3.425536  15.80318       4.943777  21.33070       4.750858  254.1060 42.88608 297.8666 34.54786 -43.76062      55.07059 
1 1 1 22  2  11 o 566.4367 17.39249 75.65099       4.634283  82.63761       6.717588  69.30628       6.401557  591.3390 24.14947 541.4374 25.13438 49.90161       34.85590 
1 1 1 22  2  12 o 650.1562 19.50450 99.75885       5.965158  107.6179       7.567352  86.86089       9.694359  674.7147 23.84265 603.5925 34.28478 71.12225       41.76024 
1 1 1 22  2  13 f 410.5207 25.74989 40.05465       4.947381  32.93698       8.854335  43.28550       5.965482  365.6397 53.02644 426.0605 29.95544 -60.42081      60.90264 
1 1 1 22  2  14 o 499.5422 22.12692 59.02066       5.199512  64.80381       8.843958  55.96585       6.427710  519.7725 36.40105 484.7823 28.30951 34.99020       46.11360 
1 1 1 22  2  15 o 382.2814 25.46872 34.81860       4.553722  36.05346       5.728722  32.69917       7.505113  387.6934 31.68936 365.5753 44.56498 22.11813       54.68320 
1 1 1 22  2  16 o 110.5294 44.51591 1.450437       3.556167  6.779146       5.186240  -3.278336      4.885577  168.8073 55.98997 99.62441 45.73907 69.18288       72.29758 
1 1 1 22  2  17 o 244.8307 33.84185 14.64341       3.793322  13.73239       5.298162  15.60159       5.433533  232.3866 49.95333 248.5851 48.20605 -16.19847      69.42016 
1 1 1 22  2  18 o 200.9399 46.08819 10.28303       4.263666  7.339768       5.128186  16.87277       7.673329  172.2330 55.59187 252.4398 64.40842 -80.20680      85.08173 
1 1 1 22  2  19 o 893.2129 20.65635 189.5860       8.679162  196.7896       15.70510  186.4187       10.41386  899.8548 37.10213 883.5974 25.05462 16.25739       44.76944 
1 1 1 22  2  20 o 384.1678 23.88247 35.39270       4.294517  40.28871       6.277087  31.08445       5.888269  406.4888 33.11552 355.6992 35.67196 50.78958       48.67367 
1 1 1 22  2  21 o 369.0121 24.81643 32.79610       4.282695  35.09870       6.200202  30.69506       5.922620  377.3832 35.33786 352.3024 36.25551 25.08087       50.62832 
1 1 1 22  2  22 o 101.7725 44.49024 -0.3233607     4.040688  -1.713139      7.224936  0.3091882      4.874255  127.5558 57.39602 114.8048 49.53283 12.75104       75.81428 
1 1 1 22  2  23 o 180.1920 44.52054 8.543530       3.751737  14.22353       5.449317  3.424997       5.172976  230.1237 51.61207 136.5488 54.12536 93.57492       74.78877 
1 1 1 22  2  24 o 551.7928 20.80667 72.96545       5.400673  73.58184       7.822456  72.40405       7.465455  547.5853 30.48931 544.0511 29.27847 3.534241       42.27087 
1 1 1 22  2  25 o 135.5794 54.19429 3.433716       5.227322  -0.2195006E-01 7.296324  7.077884       7.492685  132.5305 58.78348 169.9932 65.79575 -37.46265      88.23026 
1 1 1 22  2  26 o 453.9411 22.99564 49.91916       4.894345  55.06488       7.012153  45.03078       6.834563  470.6463 31.86055 423.3721 34.62067 47.27426       47.04982 
1 1 1 22  2  27 o 87.46561 39.77602 -1.476307      3.581174  -0.5357582     4.951717  -2.507746      5.185453  108.0101 48.13689 101.4442 46.77521 6.565842       67.11990 
1 1 1 22  2  28 o 74.08794 36.01894 -5.940597      3.983148  -11.19798      6.530849  -2.826686      5.026178  88.91657 43.81880 97.57644 45.35866 -8.659866      63.06739 
1 1 1 22  2  29 o 304.5706 33.28713 23.87825       4.691424  27.62783       8.629976  22.30534       5.589476  296.9391 63.69328 286.6374 42.76253 10.30167       76.71680 
1 1 1 22  2  30 o 82.32977 39.37458 -4.255391      4.311311  -1.639120      6.238761  -6.646850      5.964698  110.0930 50.95317 92.06661 44.59861 18.02637       67.71455 
1 1 1 22  2  31 o 127.6938 54.49779 3.513674       5.782383  3.513674       5.782383  0.000000       0.000000  127.6938 54.49779 ?        ?        0.000000       54.49779 
1 1 1 22  4  0  o 707.5581 14.53207 117.9029       4.836811  129.9346       10.03479  114.2617       5.520408  741.3871 28.77359 696.3915 16.85188 44.99567       33.34525 
1 1 1 22  4  1  o 1042.565 15.24346 256.0099       7.475770  275.0298       15.67240  250.4076       8.505806  1078.244 30.89935 1030.859 17.54069 47.38428       35.53092 
1 1 1 22  4  2  o 841.8888 13.84457 166.8982       5.482813  171.4412       7.855210  162.5824       7.656350  852.7762 19.58184 830.4498 19.59923 22.32642       27.70520 
1 1 1 22  4  3  o 895.5165 14.06843 188.8461       5.926368  192.7181       8.454071  185.1048       8.310083  904.1104 19.87811 886.0656 19.93748 18.04480       28.15391 
1 1 1 22  4  4  o 280.8190 21.67216 18.71119       2.840700  16.18909       3.953918  21.40191       4.083950  259.4169 33.15988 299.4458 29.37104 -40.02887      44.29713 
1 1 1 22  4  5  o 311.7695 20.40889 23.01853       2.976589  23.05344       4.171248  22.98232       4.248890  310.9543 28.84517 310.3779 29.45431 0.5764465      41.22620 
1 1 1 22  4  6  o 840.0658 23.42951 166.5690       9.258611  166.3793       12.54976  166.7955       13.71500  838.3443 31.82319 838.8698 34.75616 -0.5255127     47.12437 
1 1 1 22  4  7  o 1075.855 18.04836 272.8271       9.134002  265.6076       10.96342  289.2093       16.51508  1060.973 21.96707 1105.180 31.76714 -44.20715      38.62258 
1 1 1 22  4  8  o 887.2006 15.08866 185.4257       6.297117  186.8428       8.968148  184.0476       8.844084  889.8698 21.42432 883.2062 21.28734 6.663574       30.20186 
1 1 1 22  4  9  o 845.5349 15.35909 168.4438       6.108946  177.2138       8.901663  160.6364       8.398948  866.5007 21.83901 825.0034 21.64212 41.49731       30.74611 
1 1 1 22  4  10 o 902.6403 18.36301 192.1404       7.797005  199.1677       14.25766  189.1422       9.312955  916.2823 33.07880 895.0364 22.11961 21.24591       39.79301 
1 1 1 22  4  11 f 748.0962 15.87724 131.9127       5.587296  133.9884       8.026272  129.9610       7.782620  753.1227 22.65577 741.7675 22.30431 11.35529       31.79255 
1 1 1 22  4  12 o 194.4898 38.59646 9.328151       3.406511  6.426717       4.874819  12.09710       4.762221  165.7891 54.24910 220.4325 47.33997 -54.64346      72.00026 
1 1 1 22  4  13 o 643.5779 19.28024 97.80145       5.836909  104.1617       10.12432  94.63496       7.143613  661.7885 32.52202 632.3915 24.01390 29.39703       40.42708 
1 1 1 22  4  14 o 477.9649 19.46804 53.97836       4.377110  51.23488       6.226591  56.65858       6.154377  463.5595 28.69565 487.9502 26.91674 -24.39063      39.34401 
1 1 1 22  4  15 o 764.6105 16.80540 138.0514       6.044473  138.1503       8.556975  137.9529       8.539402  763.3602 23.82985 762.8227 23.79768 0.5375366      33.67776 
1 1 1 22  4  16 o 290.4311 31.04078 20.36802       4.175096  21.41727       5.082085  18.18966       7.322646  296.2524 37.29440 265.6323 60.01727 30.62012       70.66077 
1 1 1 22  4  17 o 651.3188 20.50826 100.5702       6.283357  97.78477       7.679137  106.2129       10.92985  640.8644 25.47282 663.4241 35.14836 -22.55975      43.40820 
1 1 1 22  4  18 o 552.9003 18.98467 72.46555       4.937638  74.87209       7.022346  70.11237       6.944061  559.8880 26.66317 540.9194 27.37968 18.96857       38.21742 
1 1 1 22  4  19 o 457.1377 21.28341 49.70937       4.576754  61.01602       6.666945  39.63185       6.294147  503.5707 28.25893 403.5976 33.45432 99.97305       43.79222 
1 1 1 22  4  20 o 530.8896 23.15118 67.31429       5.781581  67.36029       10.73753  67.29551       6.861107  519.0331 44.40597 528.4112 27.69923 -9.378113      52.33677 
1 1 1 22  4  21 o 462.0226 24.01591 51.29039       5.201538  59.48277       8.959079  47.12469       6.388548  489.2944 39.25507 439.6762 31.08915 49.61816       50.07491 
1 1 1 22  4  22 f 213.1122 37.87900 11.53078       3.658176  11.23987       5.159177  11.82492       5.187827  204.4019 53.15722 209.8564 52.64270 -5.454483      74.81273 
1 1 1 22  4  23 o 251.5352 32.48934 15.74036       3.754376  20.44791       5.390931  11.30691       5.231630  282.5710 41.82012 203.8136 53.78440 78.75735       68.12991 
1 1 1 22  4  24 o 129.6004 50.10106 3.372507       4.340390  5.463175       5.031093  -2.712248      8.583043  150.3535 54.79892 133.0273 60.90875 17.32620       81.93166 
1 1 1 22  4  25 o 82.39061 38.01166 -2.196528      3.431779  -4.043881      4.659397  -0.6175654E-02 5.073548  90.49982 42.58479 113.4234 49.71121 -22.92357      65.45738 
1 1 1 22  4  26 o 352.6078 26.31234 30.46170       4.332928  30.99566       6.039453  29.89536       6.219903  348.8053 37.39119 341.0183 39.50528 7.787018       54.39456 
1 1 1 22  4  27 f 261.8244 39.67302 17.90732       4.733156  17.52676       8.371884  18.08610       5.738257  234.8743 70.29349 256.5168 49.34653 -21.64250      85.88512 
1 1 1 22  4  28 o 154.7238 49.68106 6.685894       4.099698  5.267539       7.198060  7.366920       4.987755  151.7555 62.49957 160.9201 54.91749 -9.164673      83.19932 
1 1 1 22  4  29 o 73.73552 35.61844 -4.886382      3.741080  -13.07075      6.633340  -1.068894      4.530317  85.14725 42.34469 98.82687 44.86352 -13.67962      61.69123 
1 1 1 22  4  30 o 108.2261 44.34105 2.141997       3.599676  3.599881       6.138751  1.378011       4.443869  132.4704 56.33459 109.6763 47.30787 22.79411       73.56371 
1 1 1 22  4  31 o 126.2524 53.76712 3.463139       5.606514  3.463139       5.606514  0.000000       0.000000  126.2524 53.76712 ?        ?        0.000000       53.76712 
1 1 1 22  6  0  o 187.1120 31.02632 8.502402       2.635197  7.464329       5.332114  8.837888       3.031258  177.8092 56.61272 190.1280 35.18882 -12.31883      66.65773 
1 1 1 22  6  1  o 802.2706 14.76897 151.5942       5.573661  149.6730       11.37357  152.2014       6.394069  795.3909 30.39814 803.7025 16.91269 -8.311646      34.78629 
1 1 1 22  6  2  o 282.4676 23.09590 18.95415       3.041986  33.41261       6.835735  15.38380       3.396877  373.0311 39.55939 253.4448 29.01507 119.5863       49.05934 
1 1 1 22  6  3  f 461.6848 15.27817 50.20832       3.318074  50.42715       4.721500  49.99480       4.663960  462.3401 21.70947 460.3647 21.53691 1.975403       30.58005 
1 1 1 22  6  4  o 721.8176 14.11943 122.7023       4.794175  127.4144       6.884778  118.2665       6.679840  735.0801 19.91067 708.1879 20.05156 26.89221       28.25774 
1 1 1 22  6  5  o 1226.037 18.07416 354.3072       10.42391  351.6165       12.65395  359.9881       18.38668  1220.735 22.03613 1233.081 31.69877 -12.34595      38.60574 
1 1 1 22  6  6  o 911.9631 17.00305 195.9949       7.294128  209.4208       9.309095  174.6433       11.73953  942.1961 21.00375 859.2452 29.04453 82.95087       35.84330 
1 1 1 22  6  7  o 902.4749 14.78185 191.8570       6.275280  200.0211       9.119651  184.5150       8.648272  920.7487 21.05561 884.3741 20.78854 36.37457       29.58888 
1 1 1 22  6  8  o 715.8392 15.01513 120.7239       5.056079  124.9379       7.282335  116.8020       7.025338  727.6161 21.27645 703.5317 21.22825 24.08441       30.05538 
1 1 1 22  6  9  o 315.2634 21.91556 23.57712       3.229890  21.16621       4.490736  26.16082       4.648876  296.9945 32.68494 330.9801 30.19135 -33.98560      44.49520 
1 1 1 22  6  10 o 866.5546 15.52430 176.9757       6.328156  175.8378       9.026446  178.0755       8.874222  862.8435 22.23901 868.3989 21.72409 -5.555420      31.08874 
1 1 1 22  6  11 o 354.2332 25.85118 29.85032       4.277894  34.78003       8.725868  28.29059       4.908208  377.0399 50.46435 344.0018 30.65259 33.03812       59.04432 
1 1 1 22  6  12 o 333.3051 24.76469 26.43537       3.855052  26.41201       6.103723  26.45086       4.972320  330.0858 40.13554 332.0754 32.23740 -1.989624      51.47923 
1 1 1 22  6  13 o 290.7538 26.28147 20.20214       3.555691  16.06733       4.969088  24.54081       5.090110  255.4050 42.87938 319.0463 34.46342 -63.64125      55.01244 
1 1 1 22  6  14 o 700.3918 16.93289 115.8191       5.578810  117.6248       8.046470  114.1478       7.741615  704.4129 24.28336 694.0496 23.71220 10.36334       33.94039 
1 1 1 22  6  15 o 343.4518 24.40820 28.13487       3.917725  33.18875       5.608545  23.31902       5.474872  371.3100 32.43586 309.1655 38.47808 62.14450       50.32542 
1 1 1 22  6  16 o 350.8513 27.43685 29.50974       4.492162  30.21866       5.537354  28.14507       7.682804  353.3908 33.71938 335.3137 50.25615 18.07706       60.52006 
1 1 1 22  6  17 o 385.6423 26.35559 35.62950       4.752447  37.80139       5.646105  30.35078       8.802255  396.0590 30.54117 344.7426 56.21637 51.31638       63.97689 
1 1 1 22  6  18 o 363.6776 23.75527 31.64495       4.041600  37.31828       5.820174  26.36150       5.616631  392.5436 31.79251 327.6966 37.08935 64.84708       48.85063 
1 1 1 22  6  19 o 76.29958 35.66340 -2.887096      3.175766  -3.849127      4.480044  -1.915413      4.502463  90.86626 42.43382 99.87269 45.08978 -9.006424      61.91701 
1 1 1 22  6  20 o 351.5009 24.58334 29.72897       4.039183  34.83138       5.892165  25.20538       5.547900  377.0898 33.56805 318.6096 37.75116 58.48022       50.51697 
1 1 1 22  6  21 o 130.7193 49.11635 3.537780       4.096242  4.185494       7.170738  3.224037       4.990669  155.8274 63.05352 134.9418 53.26598 20.88559       82.54096 
1 1 1 22  6  22 o 378.6411 23.58432 34.55912       4.179833  36.36397       5.887308  32.72471       5.935339  384.1256 32.89919 363.0788 35.19352 21.04678       48.17614 
1 1 1 22  6  23 o 283.2172 30.01770 19.76009       3.938178  27.76166       5.649013  12.19409       5.493108  332.7462 36.70087 211.0629 54.83164 121.6833       65.98078 
1 1 1 22  6  24 f 99.53744 42.49570 0.4395682      3.518108  5.688922       4.876144  -5.259854      5.080881  151.4723 54.11411 91.44137 43.45324 60.03089       69.40116 
1 1 1 22  6  25 o 107.2598 46.38300 0.3381845      4.293687  -0.2644713     4.949041  2.172414       8.634024  110.6797 48.78513 150.1953 65.36069 -39.51558      81.55984 
1 1 1 22  6  26 o 149.8374 46.80115 5.996993       3.660237  6.574647       5.097284  5.382051       5.259227  157.4086 55.42397 148.3609 55.67158 9.047623       78.55662 
1 1 1 22  6  27 o 108.6824 45.38111 1.439813       3.869123  0.1937574      6.108904  2.274477       4.999777  121.3675 53.81217 123.8350 51.63753 -2.467545      74.58006 
1 1 1 22  6  28 o 191.2497 53.25594 10.68817       4.968180  0.000000       0.000000  10.68817       4.968180  ?        ?        191.2497 53.25594 0.000000       53.25594 
1 1 1 22  6  29 o 150.0064 48.26045 6.428267       3.867157  14.95541       6.916221  2.549750       4.664444  213.5509 63.88597 120.0560 49.95305 93.49491       81.09701 
1 1 1 22  6  30 o 113.0050 47.27084 2.239165       4.208748  3.793104       5.641036  0.2880500      6.320963  130.6978 54.70378 117.3246 53.15498 13.37315       76.27553 
1 1 1 22  6  31 o 102.4136 47.20951 -0.9461951     5.276912  -0.9461951     5.276912  0.000000       0.000000  102.4136 47.20951 ?        ?        0.000000       47.20951 
1 1 1 22  8  0  o 684.3288 16.98168 110.3650       5.466569  100.2378       10.30122  114.3349       6.449641  649.4039 33.83842 696.2901 19.69137 -46.88623      39.15084 
1 1 1 22  8  1  o 254.1992 25.12111 15.41058       2.964574  11.46849       6.378202  16.49690       3.348224  215.1138 60.49829 262.7492 27.49695 -47.63542      66.45393 
1 1 1 22  8  2  o 84.47267 36.76636 -0.4838006     2.732928  5.980976       5.917122  -2.236840      3.081269  168.3173 59.66649 79.17242 36.33995 89.14485       69.86189 
1 1 1 22  8  3  o 267.6916 25.91721 17.08833       3.222703  14.37277       6.808777  17.87233       3.658451  239.6341 60.41695 273.3776 28.88636 -33.74347      66.96738 
1 1 1 22  8  4  o 708.6990 16.16734 118.3461       5.389762  119.5943       6.653249  115.9632       9.192858  712.0967 19.86212 700.2677 27.90726 11.82898       34.25374 
1 1 1 22  8  5  o 90.83171 38.89651 -0.1259671     2.963536  -0.9822641     3.600891  1.671522       5.217122  94.61731 41.66398 131.5062 53.57272 -36.88885      67.86696 
1 1 1 22  8  6  o 678.8158 14.53842 108.5474       4.642355  108.4367       6.500696  108.6626       6.631831  677.9604 20.38385 678.6260 20.77464 -0.6656494     29.10476 
1 1 1 22  8  7  o 704.9938 14.87241 117.0979       4.932146  118.2907       6.992608  115.9170       6.957739  707.9778 20.99666 700.8262 21.10515 7.151672       29.77058 
1 1 1 22  8  8  o 175.7374 34.41391 7.582191       2.743103  9.023556       3.778656  5.976281       3.988512  190.7433 43.12541 157.9327 48.77718 32.81064       65.10772 
1 1 1 22  8  9  o 337.5197 20.83584 26.99632       3.291930  28.69480       4.739160  25.41269       4.576106  346.7837 29.32673 326.0585 30.17757 20.72522       42.08020 
1 1 1 22  8  10 o 663.3282 15.86644 103.7350       4.950821  105.8037       7.079556  101.7552       6.926006  669.1104 22.49257 656.1916 22.43794 12.91876       31.77069 
1 1 1 22  8  11 o 167.7660 41.79240 7.001290       3.285924  9.268728       5.327308  5.608903       4.174649  193.0948 55.62190 154.5622 50.18414 38.53267       74.91491 
1 1 1 22  8  12 o 452.5343 22.84571 48.58094       4.847518  43.72771       9.578726  50.25182       5.620366  422.6805 49.08966 459.6789 26.09967 -36.99844      55.59666 
1 1 1 22  8  13 o 540.6672 17.56643 69.03579       4.467690  75.98441       6.499016  62.80981       6.151805  566.1521 24.40311 514.5653 25.41515 51.58679       35.23410 
1 1 1 22  8  14 o 247.0253 29.32882 14.73429       3.341460  19.96183       4.872237  10.09215       4.591338  286.1416 37.06867 199.6933 49.19776 86.44826       61.59956 
1 1 1 22  8  15 o 204.5801 39.86233 10.43571       3.698253  15.21705       4.767774  3.213437       5.859733  247.3533 42.50789 145.3409 57.60754 102.0124       71.59294 
1 1 1 22  8  16 o 551.1516 18.29341 71.91459       4.742801  71.42981       6.615208  72.42735       6.803417  547.5633 25.68265 551.2199 26.23813 -3.656616      36.71564 
1 1 1 22  8  17 o 135.8643 45.37944 4.350130       3.404943  10.48622       4.690980  -2.482562      4.950096  201.8434 49.72952 103.1969 46.86609 98.64652       68.33340 
1 1 1 22  8  18 o 384.5902 23.00145 35.37486       4.142155  36.99523       5.781151  33.66550       5.937771  390.4585 31.75031 371.3746 34.37929 19.08383       46.79762 
1 1 1 22  8  19 o 125.9547 44.67379 3.539650       3.317508  -0.9176541     4.530563  8.692560       4.871271  105.1342 46.49153 182.5178 53.36581 -77.38359      70.77692 
1 1 1 22  8  20 o 327.6169 25.24152 25.90875       3.860047  24.91072       5.337302  27.00323       5.589272  316.8665 36.47318 329.9766 36.62624 -13.11008      51.68921 
1 1 1 22  8  21 o 265.6653 29.36020 17.30152       3.607810  18.41495       4.979208  16.07084       5.234810  269.5068 40.53016 248.6998 46.45451 20.80704       61.64994 
1 1 1 22  8  22 o 127.2023 45.46028 3.709162       3.441578  6.878422       4.762862  0.2463571      4.978552  162.8253 53.63919 115.0954 49.85818 47.72991       73.23251 
1 1 1 22  8  23 o 200.6147 43.40239 10.54086       3.976829  9.534319       4.765144  12.85077       7.218690  187.6283 52.12401 212.1229 65.63831 -24.49466      83.81707 
1 1 1 22  8  24 o 177.6062 43.93074 8.360235       3.649920  7.373606       5.182346  9.331346       5.141428  166.4812 55.98257 184.1546 55.08030 -17.67336      78.53590 
1 1 1 22  8  25 o 99.39120 42.49382 0.4793834      3.526865  -0.2361339     4.683051  1.417013       5.360862  107.8844 47.50954 123.4531 52.57552 -15.56870      70.86143 
1 1 1 22  8  26 o 113.3951 46.76109 1.799682       4.035719  -2.286861      6.054968  5.066216       5.413491  111.1736 50.99651 146.1832 56.10105 -35.00964      75.81538 
1 1 1 22  8  27 o 268.5428 35.59452 18.56698       4.385606  19.05470       7.139410  18.27141       5.557823  252.4133 60.84187 258.1349 47.52185 -5.721619      77.20142 
1 1 1 22  8  28 o 436.2828 26.13530 47.15684       5.339005  53.59691       9.454845  44.14194       6.469114  442.7804 46.06835 415.5229 33.37806 27.25751       56.88926 
1 1 1 22  8  29 o 111.4875 46.65333 1.957779       4.101648  0.4500595      5.610222  3.689061       6.011789  114.6625 51.15970 133.7418 56.25251 -19.07932      76.03723 
1 1 1 22  8  30 o 119.3890 48.46869 3.197178       4.252133  7.514864       5.736860  -2.066588      6.334276  154.2620 58.09396 107.8321 50.39034 46.42987       76.90315 
1 1 1 22  10 0  o 227.0849 24.95826 12.33144       2.622088  7.960762       5.877148  13.41763       2.929844  183.8530 59.53096 236.7095 26.78361 -52.85648      65.27861 
1 1 1 22  10 1  o 805.5175 14.27536 152.8484       5.409177  154.9941       11.55520  152.2463       6.121284  808.9502 30.36591 803.7513 16.19018 5.198914       34.41236 
1 1 1 22  10 2  o 474.5384 16.72428 53.07684       3.733259  61.08800       8.235706  51.00496       4.188287  506.1433 34.80209 465.0309 19.14632 41.11237       39.72112 
1 1 1 22  10 3  o 481.4378 20.85571 54.69736       4.723180  44.79786       7.958119  60.08070       5.868539  432.0876 39.59370 504.2322 24.74173 -72.14459      46.68848 
1 1 1 22  10 4  o 276.9735 30.08498 18.38038       3.856707  22.41677       7.333560  16.83726       4.534382  301.0938 53.74967 263.5305 37.64791 37.56329       65.62310 
1 1 1 22  10 5  o 621.0731 14.81650 90.88474       4.328701  87.67474       5.959892  94.46867       6.297462  609.4865 20.78763 632.6207 21.16181 -23.13428      29.66392 
1 1 1 22  10 6  o 243.6323 26.95285 14.21393       3.037193  17.25922       4.742382  12.09633       3.954620  266.5036 38.98149 222.1810 39.27462 44.32259       55.33581 
1 1 1 22  10 7  o 179.7589 37.80690 7.977970       3.095553  12.42340       3.892677  0.3308561      5.105522  225.4149 38.06677 121.6592 51.54014 103.7556       64.07391 
1 1 1 22  10 8  o 612.7736 15.36864 88.51125       4.430011  87.38513       6.167089  89.71181       6.367689  608.2145 21.55531 616.2068 21.96778 -7.992310      30.77685 
1 1 1 22  10 9  o 882.7993 15.19664 183.7294       6.310718  188.3586       8.974234  179.2009       8.875983  892.8336 21.36769 870.8024 21.66843 22.03119       30.43188 
1 1 1 22  10 10 o 1058.843 17.50197 264.5935       8.717418  280.5886       14.99958  256.4352       10.71229  1087.047 29.33334 1041.401 21.86730 45.64587       36.58721 
1 1 1 22  10 11 o 753.4359 15.51170 133.9134       5.497623  143.8717       8.126613  125.5104       7.465073  779.7440 22.15584 728.3621 21.78800 51.38184       31.07408 
1 1 1 22  10 12 o 193.5646 35.12209 9.226669       3.080204  7.090272       4.289661  11.50067       4.425653  169.2621 50.24006 214.2932 45.31967 -45.03117      67.66045 
1 1 1 22  10 13 o 459.8944 22.50355 50.13653       4.868312  47.97860       9.624311  50.87853       5.643566  441.9052 47.02131 461.9576 26.07720 -20.05237      53.76824 
1 1 1 22  10 14 o 158.2607 41.55960 6.287371       3.133618  8.286454       4.426409  4.278874       4.436819  180.9205 50.22892 142.3842 51.52686 38.53625       71.95805 
1 1 1 22  10 15 o 328.4324 23.07857 25.75761       3.542889  21.03146       4.839560  31.21547       5.200717  293.3571 35.81392 359.6611 31.04397 -66.30402      47.39583 
1 1 1 22  10 16 o 419.1642 21.14260 41.83518       4.155371  39.42914       5.645673  44.67948       6.138359  404.4295 29.88760 430.4294 30.51441 -25.99997      42.71297 
1 1 1 22  10 17 o 336.2509 24.53525 27.12712       3.854032  29.67356       5.329618  24.33596       5.579836  349.1313 32.83758 313.8183 38.61301 35.31308       50.68798 
1 1 1 22  10 18 o 361.9122 26.82784 31.58784       4.534765  30.55247       5.362884  34.18550       8.494560  353.8354 32.58635 365.5867 50.76484 -11.75131      60.32362 
1 1 1 22  10 19 o 142.1157 47.40191 4.925361       3.715369  9.161713       5.959132  2.231406       4.752063  186.7467 59.89022 126.5038 51.28010 60.24293       78.84470 
1 1 1 22  10 20 o 212.3218 36.63670 11.36412       3.526931  12.67315       5.095782  10.16043       4.886467  218.8467 50.52285 195.3176 52.18934 23.52908       72.63805 
1 1 1 22  10 21 o 276.0631 30.37598 18.74239       3.879387  13.56659       5.209213  25.18722       5.812851  225.9509 50.30355 315.8485 40.02161 -89.89764      64.28201 
1 1 1 22  10 22 o 337.0508 38.01409 28.55348       5.921835  26.46255       9.724277  29.78597       7.465848  302.8096 69.71117 337.9679 48.33755 -35.15833      84.83022 
1 1 1 22  10 23 o 140.1186 45.86308 4.977244       3.484078  4.533468       4.707706  5.514662       5.180636  141.3865 52.74669 151.5561 55.55100 -10.16956      76.60370 
1 1 1 22  10 24 o 238.7089 34.53661 14.39552       3.765374  23.63054       5.461601  6.029662       5.198243  304.2267 39.06657 154.7869 55.81039 149.4397       68.12486 
1 1 1 22  10 25 o 106.2625 43.63011 1.492550       3.494514  0.8165740E-01  4.923255  2.925124       4.960940  111.7156 48.96588 129.2616 52.39603 -17.54600      71.71473 
1 1 1 22  10 26 o 162.9452 54.21199 7.378021       4.860724  5.175387       6.160550  11.01070       7.911557  149.4196 59.11722 190.6429 68.83472 -41.22334      90.73624 
1 1 1 22  10 27 o 98.72661 45.51601 -2.211911      4.907559  -2.031510      6.490414  -2.452735      7.499004  114.1108 52.51135 120.4493 55.78737 -6.338463      76.61379 
1 1 1 22  10 28 o 248.7877 39.89560 16.61614       4.511207  18.12723       6.350980  15.07729       6.409037  245.7426 56.16623 219.3351 60.26269 26.40749       82.37862 
1 1 1 22  10 29 o 140.8847 57.52629 5.112961       6.033111  0.000000       0.000000  5.112961       6.033111  ?        ?        140.8847 57.52629 0.000000       57.52629 
1 1 1 22  12 0  o 1064.365 14.16954 266.9305       7.094398  271.7896       15.86330  265.7157       7.931811  1070.237 31.50969 1061.697 15.88191 8.540649       35.28591 
1 1 1 22  12 1  o 1046.067 14.63172 257.8595       7.199865  263.8228       15.89443  256.3200       8.075938  1054.302 32.04872 1042.676 16.46547 11.62573       36.03099 
1 1 1 22  12 2  o 598.6006 17.27732 84.50209       4.865000  80.23187       9.227130  86.14624       5.725480  580.1176 33.96090 604.1077 20.14783 -23.99017      39.48769 
1 1 1 22  12 3  o 101.5132 40.25381 1.333829       2.862276  -6.771701      6.234505  3.498539       3.221893  103.8446 48.98357 127.1779 44.10649 -23.33333      65.91489 
1 1 1 22  12 4  o 418.8223 19.03536 41.39537       3.750251  45.57075       7.877873  40.17187       4.264464  435.4846 38.86465 411.7632 22.09718 23.72137       44.70734 
1 1 1 22  12 5  o 525.7961 17.32402 65.21118       4.284846  83.68015       9.416579  60.38856       4.811866  592.2714 33.94040 505.7169 20.22725 86.55457       39.51066 
1 1 1 22  12 6  o 309.3872 20.46379 22.70613       2.961406  25.72818       4.178994  19.65770       4.197188  328.4009 27.29935 285.9496 31.73867 42.45129       41.86404 
1 1 1 22  12 7  o 697.1932 14.48789 114.5828       4.751464  109.1393       6.579993  120.5140       6.868455  679.6564 20.58101 714.2179 20.44368 -34.56146      29.00900 
1 1 1 22  12 8  f 806.2850 14.76456 153.2862       5.599877  162.5159       8.147692  145.0229       7.709323  829.1676 20.88926 783.2655 20.92368 45.90210       29.56622 
1 1 1 22  12 9  o 285.7769 24.74739 19.49682       3.293954  28.14507       5.269845  13.95141       4.219885  342.0452 33.16945 238.3822 38.97955 103.6630       51.18220 
1 1 1 22  12 10 o 123.8010 40.52436 3.557288       2.720142  1.842283       3.756634  5.447557       3.943920  116.2172 46.10596 151.3149 48.74291 -35.09778      67.09419 
1 1 1 22  12 11 o 356.9990 20.59634 30.26517       3.444120  27.42780       4.778492  33.33268       4.968505  337.8462 30.39316 373.1361 28.52274 -35.28995      41.68082 
1 1 1 22  12 12 o 709.9661 15.95008 119.0540       5.326841  131.0442       7.750100  108.3176       7.333715  743.4073 22.16212 675.6470 23.07464 67.76025       31.99372 
1 1 1 22  12 13 f 84.64109 37.32806 -0.7499717     2.901309  2.143581       4.124690  -3.583642      4.081786  121.8915 48.32612 87.24084 40.66119 34.65068       63.15652 
1 1 1 22  12 14 o 522.8478 27.54724 65.46010       6.751301  46.28419       11.29156  76.12962       8.422643  426.3129 57.79627 562.2638 31.97696 -135.9509      66.05251 
1 1 1 22  12 15 o 436.9733 19.33668 45.28981       3.974716  39.95370       5.474703  51.23744       5.779899  407.4110 28.75114 462.3008 26.69178 -54.88986      39.23111 
1 1 1 22  12 16 o 301.3985 25.02351 21.84381       3.515713  20.04172       4.770358  23.98639       5.201514  285.1321 36.39633 312.4198 36.05536 -27.28772      51.23165 
1 1 1 22  12 17 o 171.6577 39.92808 7.508162       3.163299  5.691182       4.229388  9.815092       4.765624  152.3697 50.56296 193.7410 51.43221 -41.37125      72.12409 
1 1 1 22  12 18 o 77.36192 36.41801 -3.412429      3.414246  -1.311831      5.223794  -4.978991      4.511159  110.7767 49.40050 86.55460 41.07636 24.22207       64.24700 
1 1 1 22  12 19 o 433.5326 25.05942 45.28232       5.088691  45.12127       5.901567  45.74911       10.04748  430.8983 29.28930 420.0325 51.96004 10.86581       59.64653 
1 1 1 22  12 20 o 201.2277 38.55540 10.32187       3.516712  11.62579       4.821761  8.840000       5.140269  209.3984 49.69688 182.0359 55.21624 27.36255       74.28737 
1 1 1 22  12 21 o 378.0550 26.47127 34.67766       4.677891  32.21127       5.737897  39.56600       8.077974  360.6157 34.23556 393.5490 44.41171 -32.93326      56.07560 
1 1 1 22  12 22 o 324.2302 44.74138 27.13903       6.642095  10.61831       8.993026  46.96790       9.852361  197.4082 73.04925 423.0222 50.51058 -225.6140      88.81166 
1 1 1 22  12 23 o 99.55645 44.24276 -0.7808301     4.152374  5.121879       8.650585  -2.548064      4.733331  164.8251 68.25775 97.75521 44.93251 67.06988       81.71935 
1 1 1 22  12 24 o 122.2733 44.35242 3.445265       3.290076  -2.756637      4.424294  11.11781       4.920977  92.68518 42.90075 200.6531 51.78592 -107.9680      67.24772 
1 1 1 22  12 25 o 181.6925 45.42475 8.966656       3.871984  12.86861       6.301944  6.600402       4.907544  209.1893 60.56555 156.8220 54.43239 52.36729       81.43139 
1 1 1 22  12 26 f 163.3194 47.03666 7.390158       3.809986  10.19322       6.347554  5.811553       4.763505  184.4429 61.95767 148.1327 53.42345 36.31021       81.80964 
1 1 1 22  12 27 f 152.3127 52.30564 6.540939       4.525704  11.11177       6.104178  0.9613556      6.744199  189.3588 60.60280 127.0663 56.43022 62.29253       82.80742 
1 1 1 22  12 28 o 80.28253 38.03881 -3.374117      3.838647  -3.816885      5.129704  -2.810642      5.786840  93.14368 44.08605 102.8867 48.10691 -9.743019      65.25224 
1 1 1 22  12 29 o 150.8258 49.34869 6.813296       4.033927  8.347206       5.591689  5.148633       5.825139  161.1425 57.90836 138.8812 56.59635 22.26138       80.97237 
1 1 1 22  14 0  o 485.3038 15.32018 55.54054       3.497413  52.19977       7.944898  56.34354       3.895123  466.2583 36.51545 488.6559 16.94528 -22.39761      40.25569 
1 1 1 22  14 1  o 558.7635 15.17756 73.62289       3.989325  70.60048       8.592216  74.45348       4.504248  543.4129 33.78011 561.7180 17.04648 -18.30511      37.83752 
1 1 1 22  14 2  o 574.5315 15.90806 77.85767       4.299327  73.15696       8.550519  79.44826       4.973804  553.3822 32.99720 580.1132 18.22664 -26.73096      37.69650 
1 1 1 22  14 3  f 485.7921 19.58924 55.74999       4.476486  55.70750       8.132498  55.76847       5.361883  481.7855 36.14750 485.4086 23.48229 -3.623138      43.10522 
1 1 1 22  14 4  o 126.5362 45.41328 3.301432       3.437900  8.061831       6.454842  1.416282       4.061973  185.6089 62.47845 116.5370 47.34987 69.07181       78.39367 
1 1 1 22  14 5  o 663.2530 19.65166 103.9559       6.131231  111.1772       10.71868  100.4440       7.474885  682.8798 33.36782 651.1223 24.40465 31.75751       41.34003 
1 1 1 22  14 6  o 551.4355 21.16449 71.93234       5.489993  81.92628       9.887004  67.47731       6.601185  584.2352 36.15321 533.2528 26.31597 50.98236       44.71672 
1 1 1 22  14 7  o 465.1507 20.16565 51.17084       4.412404  44.11415       8.678152  53.63119       5.124197  425.4275 44.00014 475.8240 22.89339 -50.39655      49.59959 
1 1 1 22  14 8  o 73.34656 33.83717 -2.097828      2.718827  -0.8317480     4.012341  -3.172715      3.696993  100.6186 44.15067 83.74181 38.91888 16.87679       58.85543 
1 1 1 22  14 9  o 273.1939 22.27249 17.80466       2.837349  18.22646       3.941009  17.35074       4.088277  274.6481 31.04961 267.3705 33.22167 7.277679       45.47260 
1 1 1 22  14 10 o 470.1767 16.52746 52.23368       3.655414  59.88070       5.275993  45.17416       5.069274  502.4734 22.32142 435.3106 24.85892 67.16284       33.40976 
1 1 1 22  14 11 o 121.0282 40.10167 3.397016       2.660710  3.902742       3.672053  2.838006       3.860653  133.4532 47.03601 125.0866 47.52581 8.366638       66.86620 
1 1 1 22  14 12 o 414.7784 18.54162 40.74021       3.617705  41.04511       4.993528  40.40339       5.248397  414.2604 25.75254 410.5667 27.33143 3.693726       37.55263 
1 1 1 22  14 13 f 154.0536 43.37968 5.976202       3.277210  5.357380       3.965345  7.309751       5.821067  149.1320 48.93384 174.0689 59.32833 -24.93692      76.90495 
1 1 1 22  14 14 o 406.8852 19.88648 39.30471       3.806265  34.72237       5.338455  44.04280       5.428416  379.0179 30.19283 428.2022 27.08938 -49.18423      40.56404 
1 1 1 22  14 15 o 217.7828 42.05500 12.01493       4.152346  4.851368       8.342359  14.37418       4.787532  169.3348 68.18819 237.8409 44.42502 -68.50607      81.38312 
1 1 1 22  14 16 o 663.5236 28.02421 105.8735       8.747000  110.0476       13.04876  102.4673       11.78743  666.4483 41.83522 645.1321 39.02564 21.31616       57.21176 
1 1 1 22  14 17 o 549.9169 20.20208 72.02689       5.225915  87.81213       8.527967  62.53468       6.613073  602.6264 30.08348 508.8994 27.72957 93.72696       40.91388 
1 1 1 22  14 18 o 298.2618 25.60814 21.52617       3.558056  26.20778       4.960336  16.56450       5.106551  326.5776 32.72956 254.1945 44.31765 72.38312       55.09336 
1 1 1 22  14 19 o 128.8995 43.85120 3.967956       3.180045  3.680728       4.471055  4.262019       4.523939  134.4412 51.12948 139.5686 51.77818 -5.127472      72.76815 
1 1 1 22  14 20 o 233.7962 39.99988 13.93576       4.240987  16.51315       4.985254  7.184899       8.068219  253.3463 43.39231 176.4644 68.28281 76.88188       80.90385 
1 1 1 22  14 21 o 303.4367 29.73733 22.61528       4.190075  23.94768       6.419618  21.62636       5.530593  303.6277 46.42149 290.9679 41.59043 12.65982       62.32751 
1 1 1 22  14 22 f 137.6716 47.05249 4.695529       3.661467  3.123982       4.481484  7.850773       6.350011  128.6878 50.57782 173.0526 61.76070 -44.36478      79.82794 
1 1 1 22  14 23 o 163.8039 44.76733 7.158974       3.547854  2.122902       4.731643  13.62661       5.362145  122.8037 50.63579 222.7744 52.09856 -99.97073      72.65152 
1 1 1 22  14 24 o 147.4247 52.78060 5.542345       4.641134  0.000000       0.000000  5.542345       4.641134  ?        ?        147.4247 52.78060 0.000000       52.78060 
1 1 1 22  14 25 o 109.2360 43.88207 2.027610       3.445970  -5.740191      5.267721  7.838329       4.556052  90.44862 43.32758 167.0363 52.22198 -76.58768      67.85583 
1 1 1 22  14 26 o 149.7290 44.60715 6.174409       3.377031  8.686089       5.334583  4.494745       4.362440  171.7323 56.77668 134.6429 50.66827 37.08940       76.09773 
1 1 1 22  14 27 o 169.6793 47.14708 8.258495       3.898205  10.36861       5.531925  6.177171       5.494059  183.0819 57.59345 149.1093 56.68504 33.97256       80.80965 
1 1 1 22  14 28 o 192.3986 46.87034 10.78650       4.202843  13.27586       5.774123  7.981570       6.129191  203.7423 57.65424 159.3685 60.04161 44.37383       83.24065 
1 1 1 22  16 0  o 231.7603 20.73793 12.81312       2.236965  18.27884       6.274791  12.01733       2.394281  269.5358 51.36487 224.0064 23.05097 45.52934       56.30006 
1 1 1 22  16 1  o 468.5039 13.47408 51.76328       2.969488  65.75506       8.346219  49.73543       3.177396  523.2425 34.09546 459.1180 14.71220 64.12445       37.13421 
1 1 1 22  16 2  o 150.9266 30.85558 5.624918       2.116700  13.54935       6.190469  4.575769       2.252465  230.1294 57.38223 135.7274 35.03928 94.40201       67.23445 
1 1 1 22  16 3  o 148.1402 37.73429 5.471151       2.636809  -0.8415578E-01 6.046669  6.775623       2.930081  128.3146 55.26590 164.7105 38.50689 -36.39595      67.35800 
1 1 1 22  16 4  o 216.4025 34.11658 11.46766       3.357900  12.22949       6.772962  11.21937       3.866552  218.5278 62.64920 212.5290 40.14688 5.998764       74.40897 
1 1 1 22  16 5  o 503.6429 19.98622 60.03652       4.735031  58.70987       8.801626  60.57685       5.617130  492.5637 38.28753 505.2740 23.63297 -12.71036      44.99392 
1 1 1 22  16 6  o 490.2340 21.60301 56.95828       4.981809  62.90131       9.021110  54.35058       5.975644  509.8716 37.88295 477.1999 26.72794 32.67166       46.36271 
1 1 1 22  16 7  o 404.6616 29.97410 39.31120       5.665103  0.000000       0.000000  39.31120       5.665103  ?        ?        404.6616 29.97410 0.000000       29.97410 
1 1 1 22  16 8  o 471.9910 27.78722 53.30494       6.142256  51.99168       9.407881  54.28062       8.109041  460.2976 43.98483 473.3450 36.70557 -13.04733      57.28843 
1 1 1 22  16 9  o 252.0631 24.14284 15.24424       2.827621  14.29397       3.836619  16.37416       4.183592  241.4366 34.78522 258.5613 35.32053 -17.12469      49.57370 
1 1 1 22  16 10 o 183.5410 51.94547 8.601402       4.686897  7.826993       7.413017  9.117124       6.049463  184.6670 66.63779 189.9942 60.28045 -5.327225      89.85726 
1 1 1 22  16 11 o 875.7114 15.34626 181.3014       6.321685  179.7845       8.751138  182.9569       9.142097  869.9352 21.38495 877.2577 22.15386 -7.322510      30.79139 
1 1 1 22  16 12 o 98.77930 40.57781 0.9198642      3.024550  -0.7783705     3.697357  4.354935       5.258482  95.80298 42.20054 147.3820 55.59368 -51.57899      69.79644 
1 1 1 22  16 13 o 707.4185 15.78779 118.4527       5.253722  114.7771       7.103195  122.8919       7.806239  694.3911 21.74605 717.9636 23.11373 -23.57257      31.73539 
1 1 1 22  16 14 o 169.5283 35.70256 7.238445       2.757193  9.631448       3.684731  4.193847       4.156226  194.4468 41.54555 138.0189 49.88262 56.42792       64.91770 
1 1 1 22  16 15 f 222.6417 29.89353 12.15985       3.051693  11.48372       4.098167  13.00141       4.572119  212.0694 42.56067 225.1637 44.74344 -13.09427      61.75262 
1 1 1 22  16 16 o 252.8321 41.56185 16.18900       4.771258  0.000000       0.000000  16.18900       4.771258  ?        ?        252.8321 41.56185 0.000000       41.56185 
1 1 1 22  16 17 o 98.95373 42.18868 0.3114115      3.458872  0.3114115      3.458872  0.000000       0.000000  98.95373 42.18868 ?        ?        0.000000       42.18868 
1 1 1 22  16 18 o 105.5023 40.29511 2.053125       2.784435  0.6294299      3.617064  4.124019       4.362411  103.0136 43.49675 137.5043 50.87848 -34.49063      66.93719 
1 1 1 22  16 19 o 154.2291 40.76813 6.147676       3.002565  7.722966       3.879956  3.795854       4.740769  171.4449 46.79919 136.9231 52.51100 34.52173       70.33896 
1 1 1 22  16 20 o 393.3760 21.67085 37.18025       3.994613  37.78770       5.346957  36.41298       6.009356  393.2967 29.10800 383.6737 33.63588 9.623016       44.48200 
1 1 1 22  16 21 o 248.6130 36.33303 15.62770       4.123658  14.48677       4.802054  18.83175       8.047231  234.9754 45.08437 254.9424 66.43164 -19.96707      80.28551 
1 1 1 22  16 22 o 262.9883 29.46665 17.12219       3.582664  18.32578       4.951269  15.79950       5.190496  266.4279 40.80606 243.5988 46.99934 22.82916       62.24205 
1 1 1 22  16 23 o 199.2807 39.42400 10.38766       3.564807  6.504162       5.431901  13.32561       4.724576  157.9167 57.03368 222.3235 46.66331 -64.40674      73.69060 
1 1 1 22  16 24 o 154.1649 45.09813 6.452000       3.478063  2.312129       5.382665  9.419482       4.557199  127.1382 53.33843 183.0057 51.02177 -55.86742      73.81199 
1 1 1 22  16 25 o 145.7474 44.50674 5.799831       3.331518  4.081451       5.513535  6.788032       4.181124  137.4073 55.39824 155.7279 50.18971 -18.32054      74.75275 
1 1 1 22  16 26 o 167.0118 49.71247 8.078268       4.195634  10.65696       6.187092  5.882878       5.708774  184.0171 61.16005 148.1358 57.40488 35.88127       83.88010 
1 1 1 22  18 0  o 262.3123 17.56633 16.35013       2.155024  22.16112       6.622746  15.66198       2.279056  296.8253 49.15158 256.4789 19.02571 40.34647       52.70536 
1 1 1 22  18 1  o 340.7115 15.13587 27.42099       2.425848  27.31867       7.045825  27.43475       2.583819  331.3137 46.48837 340.6984 16.12214 -9.384705      49.20459 
1 1 1 22  18 2  o 751.6403 16.65881 133.5757       5.890110  133.4126       11.36333  133.6356       6.887627  745.8005 32.39021 751.0866 19.49442 -5.286133      37.80420 
1 1 1 22  18 3  o 826.8842 15.99391 161.5992       6.221122  190.3092       13.82525  154.3099       6.966251  890.3286 33.01060 807.4033 18.34169 82.92529       37.76397 
1 1 1 22  18 4  o 163.7636 34.20943 6.679162       2.550329  12.29192       7.148376  5.860544       2.729983  217.5235 64.92101 152.7840 38.11167 64.73949       75.28105 
1 1 1 22  18 5  o 202.9881 34.26642 10.16905       3.155470  10.33591       6.744531  10.12229       3.570326  201.4095 63.62246 201.2381 39.12528 0.1714325      74.69006 
1 1 1 22  18 6  o 170.7447 48.08976 7.389715       4.027072  0.000000       0.000000  7.389715       4.027072  ?        ?        170.7447 48.08976 0.000000       48.08976 
1 1 1 22  18 7  o 409.2297 23.70521 39.98758       4.543767  35.19620       8.944152  41.65428       5.275182  373.1230 52.40335 416.7669 27.05392 -43.64392      58.97478 
1 1 1 22  18 8  o 276.3201 31.86600 18.58795       4.066074  18.18371       7.453621  18.75921       4.851537  262.5684 61.43742 275.5309 38.48197 -12.96249      72.49426 
1 1 1 22  18 9  o 483.0945 22.48012 55.53847       5.108578  51.21879       9.369943  57.36564       6.093973  454.4599 44.39713 489.1588 26.58369 -34.69888      51.74744 
1 1 1 22  18 10 o 148.1719 36.01183 5.533247       2.485480  5.721483       3.299522  5.286317       3.779081  150.6820 43.88136 147.1593 47.74576 3.522690       64.84776 
1 1 1 22  18 11 o 527.2191 17.60863 65.90322       4.367027  70.31075       5.472395  58.17479       7.246447  543.5275 21.40359 490.0755 31.60196 53.45197       38.16801 
1 1 1 22  18 12 o 217.7712 28.15444 11.57173       2.816612  11.07833       3.714162  12.23950       4.320919  209.6764 39.09490 219.1503 43.44957 -9.473892      58.44893 
1 1 1 22  18 13 o 488.0637 16.86595 56.48524       3.872190  54.72834       5.181357  58.70776       5.827645  478.7422 23.00766 494.5250 25.13429 -15.78281      34.07470 
1 1 1 22  18 14 f 312.3264 21.43977 23.36544       3.130837  19.59010       4.062994  28.88404       4.912267  282.9856 31.03102 344.3563 30.64556 -61.37070      43.61278 
1 1 1 22  18 15 o 204.6695 30.57894 10.34151       2.853773  10.77623       3.751023  9.744095       4.397268  205.8042 40.18776 192.9606 48.49994 12.84357       62.98651 
1 1 1 22  18 16 o 132.4966 41.02254 4.381124       2.819152  4.688063       3.696348  3.954304       4.358823  139.3864 47.27783 136.3664 50.77806 3.020004       69.38015 
1 1 1 22  18 17 o 280.0580 32.79747 19.36117       4.238910  16.02557       8.198381  20.57825       4.952230  237.8609 69.14163 286.7810 37.61696 -48.92015      78.71214 
1 1 1 22  18 18 o 232.5664 45.01865 14.04288       4.747029  0.000000       0.000000  14.04288       4.747029  ?        ?        232.5664 45.01865 0.000000       45.01865 
1 1 1 22  18 19 o 250.7060 29.03990 15.46089       3.361342  17.93061       4.405247  12.01913       5.200408  267.2969 35.94668 210.8800 52.60007 56.41695       63.70974 
1 1 1 22  18 20 o 356.7692 22.10417 30.68202       3.691365  28.62029       4.850919  33.51825       5.689559  340.7717 30.58726 367.4803 33.27448 -26.70865      45.19703 
1 1 1 22  18 21 o 224.4729 31.01228 12.59313       3.187205  13.84900       4.305933  11.07126       4.740054  230.7830 41.17397 201.5164 50.19217 29.26659       64.91956 
1 1 1 22  18 22 o 495.3151 27.19951 60.12970       6.313145  55.91558       7.605005  69.47087       11.32261  471.8576 34.50172 512.1649 47.53883 -40.30722      58.73933 
1 1 1 22  18 23 o 194.5205 38.14625 9.927908       3.365758  9.363853       5.412390  10.28358       4.297843  180.2771 56.99902 193.0362 47.62459 -12.75909      74.27644 
1 1 1 22  18 24 o 228.5155 32.46674 13.34992       3.391846  18.15993       5.762577  10.80012       4.195621  254.6946 49.88282 197.4817 46.01741 57.21288       67.86677 
1 1 1 22  18 25 o 145.7682 48.73052 5.933992       3.926426  11.27824       5.887991  1.654281       5.269034  190.6327 59.32867 119.7135 51.57553 70.91924       78.61252 
1 1 1 22  20 0  o 199.6521 21.49564 9.583980       1.986981  20.50535       6.351163  8.399051       2.091996  283.7332 49.37901 186.1186 24.48932 97.61458       55.11818 
1 1 1 22  20 1  o 253.9352 18.13515 15.35983       2.152024  15.66588       6.651432  15.32404       2.274354  243.9182 58.68346 253.4412 19.22015 -9.523026      61.75082 
1 1 1 22  20 2  o 252.2240 17.69156 15.14515       2.085763  11.71225       6.711646  15.51213       2.194417  211.0399 62.88857 255.1510 18.40681 -44.11108      65.52696 
1 1 1 22  20 3  o 256.9815 19.37756 15.75677       2.325218  19.25089       7.010112  15.32482       2.464756  271.7072 56.68114 253.1208 20.88686 18.58644       60.40706 
1 1 1 22  20 4  o 216.9722 24.17059 11.35963       2.425023  6.542806       6.588928  12.11434       2.608090  170.8760 62.64571 223.9091 25.19971 -53.03308      67.52415 
1 1 1 22  20 5  o 665.5619 16.24741 104.8565       5.086767  108.3829       12.09667  104.0989       5.606562  665.7465 38.79483 662.6772 17.98562 3.069336       42.76121 
1 1 1 22  20 6  o 152.6876 41.56954 5.908166       3.065994  0.000000       0.000000  5.908166       3.065994  ?        ?        152.6876 41.56954 0.000000       41.56954 
1 1 1 22  20 7  o 125.3048 43.35120 3.574495       3.111581  2.779429       6.552762  3.805960       3.535620  146.0878 59.83618 130.5585 46.13906 15.52930       75.55913 
1 1 1 22  20 8  f 367.7730 23.08940 32.37877       3.974226  40.27943       8.017510  29.80509       4.575979  402.2183 43.04295 351.3660 27.91572 50.85226       51.30285 
1 1 1 22  20 9  o 306.8368 29.61193 22.86213       4.220999  27.60405       7.975420  21.01708       4.974863  326.7579 53.75685 291.4726 37.12685 35.28525       65.33147 
1 1 1 22  20 10 o 496.7554 30.50508 59.74924       7.093779  71.10583       10.39518  49.85137       9.704621  535.7047 41.57697 444.8250 47.09512 90.87964       62.82192 
1 1 1 22  20 11 o 251.9245 43.95096 16.13109       5.019007  15.15458       7.908809  16.78954       6.494299  234.9411 67.79932 251.7938 56.24863 -16.85266      88.09459 
1 1 1 22  20 12 o 229.3941 25.66027 12.76338       2.721500  16.00143       3.689526  8.898955       4.030620  255.4157 31.36742 185.2617 46.36191 70.15404       55.97626 
1 1 1 22  20 13 o 387.1249 18.23549 35.60568       3.320763  35.87130       4.466830  35.27750       4.965132  386.2058 24.71699 381.8611 27.83278 4.344757       37.22356 
1 1 1 22  20 14 o 180.8264 32.78365 8.173445       2.685927  10.28535       3.554224  5.361557       4.101164  201.3199 38.93908 147.9971 49.80142 53.32277       63.21735 
1 1 1 22  20 15 o 175.5003 34.60453 7.768305       2.755271  6.324977       3.505459  10.10122       4.456681  156.6014 45.12234 196.0239 48.57827 -39.42250      66.30138 
1 1 1 22  20 16 o 491.2841 17.01402 57.34964       3.931959  53.57740       5.054910  63.12857       6.256591  472.9777 22.71975 511.3312 26.09845 -38.35352      34.60225 
1 1 1 22  20 17 o 318.6744 22.02964 24.43354       3.282084  20.62873       4.263046  29.97104       5.142928  289.0956 31.87801 349.1332 31.65912 -60.03766      44.92780 
1 1 1 22  20 18 o 119.3298 48.63342 2.001065       4.301804  0.9524377      7.495785  2.516052       5.252970  139.8242 60.87393 130.9328 53.59510 8.891418       81.10530 
1 1 1 22  20 19 o 195.5202 31.87001 9.604716       2.830199  7.269017       3.645563  13.14802       4.490147  165.4755 45.44403 223.7700 44.22480 -58.29451      63.41129 
1 1 1 22  20 20 o 524.4224 26.45305 67.05407       6.504651  0.000000       0.000000  67.05407       6.504651  ?        ?        524.4224 26.45305 0.000000       26.45305 
1 1 1 22  20 21 o 161.3990 39.81893 6.892488       3.004485  5.445898       4.467917  8.086621       4.059370  145.9861 51.83710 171.8693 48.23859 -25.88316      70.80993 
1 1 1 22  20 22 o 95.36982 39.74234 0.9585027      2.958891  -0.3623663     4.540176  1.933718       3.901153  104.4898 46.35703 112.6648 46.16018 -8.174950      65.41969 
1 1 1 22  20 23 o 128.4947 43.33949 4.299954       3.105998  7.535673       4.906592  2.136318       4.012239  162.4412 54.47354 114.2115 46.80550 48.22969       71.82006 
1 1 1 22  22 0  o 153.9949 29.81881 5.897990       2.082012  -4.684899      5.578383  7.610771       2.244177  100.9894 47.22382 175.9224 28.06144 -74.93298      54.93208 
1 1 1 22  22 1  o 271.9947 17.45990 17.61728       2.222138  27.22057       6.854071  16.48932       2.349017  328.3167 45.61209 262.7760 19.13484 65.54071       49.46316 
1 1 1 22  22 2  o 136.3155 30.52602 4.650928       1.908738  3.463139       6.174205  4.776443       2.007055  146.8417 58.82675 137.9917 31.60009 8.849945       66.77688 
1 1 1 22  22 3  o 291.7257 19.83614 20.32227       2.705913  0.000000       0.000000  20.32227       2.705913  ?        ?        291.7257 19.83614 0.000000       19.83614 
1 1 1 22  22 4  o 398.8712 19.11968 37.79481       3.587423  37.09869       8.867504  37.93104       3.922772  381.3514 50.68752 398.6523 20.99243 -17.30090      54.86262 
1 1 1 22  22 5  o 253.5475 18.97063 15.35248       2.246217  0.000000       0.000000  15.35248       2.246217  ?        ?        253.5475 18.97063 0.000000       18.97063 
1 1 1 22  22 6  o 317.3006 16.80432 23.93004       2.499256  23.49881       7.542737  23.98322       2.648894  299.8489 55.52053 317.4492 17.81060 -17.60031      58.30734 
1 1 1 22  22 7  f 78.63355 32.74055 0.3983907      2.005745  3.466112       6.391365  0.6326590E-01  2.112462  148.3162 59.69852 77.29974 32.96378 71.01642       68.19475 
1 1 1 22  22 8  o 103.4254 38.11398 2.142387       2.443431  -8.596910      6.921586  3.671249       2.611571  103.3409 49.54621 123.2376 39.66059 -19.89671      63.46487 
1 1 1 22  22 9  o 132.5216 42.83547 4.279153       3.043902  12.16112       7.115167  2.513471       3.367628  212.4511 65.07124 116.2871 44.33832 96.16401       78.74105 
1 1 1 22  22 10 o 302.1693 23.11835 21.93527       3.261136  23.56124       8.409394  21.64746       3.538002  295.6438 62.42698 299.5392 25.34717 -3.895447      67.37660 
1 1 1 22  22 11 o 153.9289 48.39093 5.987982       3.906045  7.336505       7.163085  5.417297       4.659819  176.5514 65.22192 151.1509 53.00809 25.40054       84.04615 
1 1 1 22  22 12 o 215.9268 39.78681 11.82616       3.892342  4.985137       7.045535  14.83126       4.669638  160.6093 63.32349 241.2306 42.71440 -80.62129      76.38315 
1 1 1 22  22 13 o 151.7472 45.34784 5.896337       3.486133  15.16350       7.349973  3.206398       3.959894  233.9520 64.64063 127.0144 48.16290 106.9376       80.61065 
1 1 1 22  22 14 o 447.9774 16.92126 47.67411       3.565809  48.44180       4.869079  46.78617       5.236584  449.0798 23.12764 440.3813 25.38600 8.698425       34.34147 
1 1 1 22  22 15 o 119.0592 38.62207 3.457869       2.472869  1.292637       3.085355  7.347196       4.135140  101.5486 41.26426 167.1947 49.24943 -65.64617      64.25143 
1 1 1 22  22 16 o 179.3113 31.92770 8.075868       2.594332  8.982742       3.343450  6.703647       4.112760  186.6924 39.31388 160.0270 49.54880 26.66544       63.25080 
1 1 1 22  22 17 o 459.6671 31.45743 52.02141       6.761099  0.000000       0.000000  52.02141       6.761099  ?        ?        459.6671 31.45743 0.000000       31.45743 
1 1 1 22  22 18 o 93.14387 36.88245 1.358077       2.399739  0.9471279      3.197864  1.887793       3.630675  99.22996 41.33055 111.3838 44.93769 -12.15386      61.05416 
1 1 1 22  22 19 o 120.6812 43.19234 3.412582       3.107825  8.171820       6.370400  1.926089       3.560242  173.0915 61.85072 110.5169 44.53066 62.57461       76.21346 
1 1 1 22  22 20 o 250.0628 24.66225 15.34391       2.863243  19.17922       4.126584  11.78325       3.976083  275.9315 32.40932 210.9299 41.55082 65.00156       52.69568 
1 1 1 22  22 21 o 105.0607 40.39927 2.218959       2.810721  1.806778       4.507567  2.481182       3.595290  116.7128 48.87946 114.1317 45.15987 2.581078       66.54784 
1 1 1 22  24 0  o 317.7545 17.20825 24.02651       2.562571  28.21938       6.884226  23.35209       2.760983  333.9876 44.96057 312.8867 18.84685 21.10089       48.75097 
1 1 1 22  24 1  o 571.1944 13.56286 77.15508       3.644220  66.67658       8.671495  79.40266       4.016080  521.6967 35.54697 579.1702 14.74100 -57.47357      38.48226 
1 1 1 22  24 2  o 85.74776 33.33533 1.168097       1.929868  10.65398       5.896311  0.2999189E-01  2.042361  200.1545 58.76710 75.70243 32.35062 124.4520       67.08304 
1 1 1 22  24 3  o 64.95477 29.47726 -1.073307      1.953715  -7.928062      5.958059  -0.2474428     2.068061  94.74943 45.56727 73.71527 32.03337 21.03416       55.70021 
1 1 1 22  24 4  o 322.5487 18.78403 24.80341       2.837718  0.000000       0.000000  24.80341       2.837718  ?        ?        322.5487 18.78403 0.000000       18.78403 
1 1 1 22  24 5  o 94.47079 32.97378 1.957638       1.802091  5.237813       6.507266  1.685175       1.875443  159.8294 61.46760 91.52232 33.44213 68.30706       69.97601 
1 1 1 22  24 6  o 236.0333 19.32941 13.33452       2.127335  11.23662       7.199656  13.53520       2.226761  204.9325 65.84071 237.6458 20.10795 -32.71330      68.84279 
1 1 1 22  24 7  o 137.5024 30.10959 4.736941       1.893574  4.696790       6.759869  4.740360       1.972545  157.6184 62.06393 137.3496 31.23588 20.26886       69.48102 
1 1 1 22  24 8  o 209.9620 25.57311 10.72370       2.473593  11.59334       6.755630  10.58905       2.658192  207.1771 63.39753 207.9888 27.87010 -0.8116760     69.25308 
1 1 1 22  24 9  o 528.0110 14.81388 66.03059       3.679436  69.94650       9.585085  65.35382       3.984718  531.6929 38.58637 524.9591 16.13626 6.733826       41.82447 
1 1 1 22  24 10 o 83.13398 35.31631 0.1961453      2.407924  3.617717       6.936489  -0.2726668     2.567593  151.5649 61.76181 81.89532 35.64071 69.66962       71.30766 
1 1 1 22  24 11 o 236.3537 29.42097 13.71575       3.200260  0.000000       0.000000  13.71575       3.200260  ?        ?        236.3537 29.42097 0.000000       29.42097 
1 1 1 22  24 12 o 255.2361 29.46535 15.98718       3.472714  20.05648       7.479948  14.86904       3.920897  270.7098 60.28601 243.9068 35.19188 26.80296       69.80595 
1 1 1 22  24 13 o 116.8920 46.24696 2.273089       3.770078  0.000000       0.000000  2.273089       3.770078  ?        ?        116.8920 46.24696 0.000000       46.24696 
1 1 1 22  24 14 f 205.2465 35.90925 10.67743       3.340703  -2.194114      6.457947  15.38037       3.903586  117.9327 53.54745 247.8638 34.40774 -129.9311      63.64921 
1 1 1 22  24 15 o 97.52724 37.42808 1.740061       2.409513  1.441875       3.116600  2.183111       3.798954  102.6732 41.56062 115.7681 46.22675 -13.09489      62.16267 
1 1 1 22  24 16 o 136.0247 38.01430 4.788497       2.526607  7.130827       3.220061  1.036266       4.075538  164.5711 41.57967 109.6770 46.23319 54.89415       62.18020 
1 1 1 22  24 17 o 345.1345 27.63498 29.25652       4.448964  0.000000       0.000000  29.25652       4.448964  ?        ?        345.1345 27.63498 0.000000       27.63498 
1 1 1 22  24 18 o 218.2836 26.46603 11.78510       2.662001  12.75984       3.760493  10.80605       3.768797  222.2433 37.29146 202.3121 41.00560 19.93127       55.42664 
1 1 1 22  24 19 o 254.1971 23.27575 15.80960       2.752295  16.89025       3.920715  14.75969       3.864557  257.9542 33.07288 239.6987 35.33376 18.25545       48.39721 
1 1 1 22  26 0  o 316.7689 17.69847 23.92108       2.626681  26.06719       6.834951  23.54921       2.845168  318.6473 47.01117 313.8756 19.36454 4.771667       50.84324 
1 1 1 22  26 1  o 128.9805 34.31329 4.208570       2.118254  -0.9075506     5.826859  4.987658       2.273826  118.6585 52.58588 140.1683 34.67630 -21.50974      62.98985 
1 1 1 22  26 2  o 92.37935 34.68552 1.611352       2.042103  -5.945304      5.667020  2.739021       2.189177  97.08177 46.06253 108.2812 36.38577 -11.19941      58.69992 
1 1 1 22  26 3  o 198.9317 30.89304 9.803568       2.797129  0.000000       0.000000  9.803568       2.797129  ?        ?        198.9317 30.89304 0.000000       30.89304 
1 1 1 22  26 4  o 235.2124 19.93641 13.27434       2.185095  19.14982       6.485424  12.52196       2.320787  269.3792 53.06833 227.9283 21.91568 41.45093       57.41555 
1 1 1 22  26 5  o 329.5049 15.94926 25.75425       2.472133  38.94174       7.605527  24.19634       2.614081  393.7857 41.69234 318.6427 17.50710 75.14301       45.21891 
1 1 1 22  26 6  o 83.61710 32.60896 1.103011       1.851120  4.887040       5.837309  0.6799258      1.951864  152.3959 58.31030 80.37440 32.75838 72.02147       66.88200 
1 1 1 22  26 7  o 338.6367 17.62208 27.33398       2.797421  13.04400       6.179019  31.01800       3.137360  218.7257 58.79043 360.5374 18.56184 -141.8117      61.65109 
1 1 1 22  26 8  o 158.8498 27.95393 6.264785       2.012532  9.726517       5.786949  5.788504       2.146519  190.0920 58.76113 151.7153 31.12109 38.37672       66.49355 
1 1 1 22  26 9  o 379.7247 15.71001 34.22302       2.806175  20.17241       6.828078  37.07847       3.078140  274.3939 54.81787 395.0497 16.56409 -120.6558      57.26577 
1 1 1 22  26 10 o 206.3857 24.82561 10.39125       2.361826  8.017242       6.214972  10.79197       2.553388  175.7304 61.24074 209.8846 26.44964 -34.15421      66.70841 
1 1 1 22  26 11 o 135.2449 37.62672 4.688984       2.481187  5.526160       6.505070  4.546453       2.684105  158.5261 61.32055 133.5162 39.76628 25.00984       73.08603 
1 1 1 22  26 12 o 84.40784 35.99268 0.2046940      2.518219  0.000000       0.000000  0.2046940      2.518219  ?        ?        84.40784 35.99268 0.000000       35.99268 
1 1 1 22  26 13 o 369.0368 22.05385 32.83942       3.810933  20.75208       6.956962  38.02144       4.555165  275.0608 55.67821 396.0300 24.57287 -120.9692      60.85958 
1 1 1 22  26 14 o 92.42825 37.09600 1.217631       2.460119  0.9351963      6.204622  1.270316       2.679764  128.2816 55.61510 95.66164 38.60260 32.62000       67.69933 
1 1 1 22  26 15 o 192.6670 63.85843 10.73722       6.746785  10.73722       6.746785  0.000000       0.000000  192.6670 63.85843 ?        ?        0.000000       63.85843 
1 1 1 22  28 0  f 168.4334 31.71210 7.141031       2.420402  2.793995       5.567152  8.154223       2.687711  135.3316 55.25966 179.8405 32.98623 -44.50893      64.35621 
1 1 1 22  28 1  f 440.5663 15.42452 46.08059       3.196629  35.82045       6.812927  48.97700       3.619816  377.4991 38.92460 453.7611 16.95860 -76.26193      42.45843 
1 1 1 22  28 2  o 110.4431 38.12271 2.823429       2.405620  0.000000       0.000000  2.823429       2.405620  ?        ?        110.4431 38.12271 0.000000       38.12271 
1 1 1 22  28 3  o 150.5187 37.49623 5.831547       2.645059  16.50119       5.268331  2.235588       3.058479  251.4355 46.24692 109.6294 42.14550 141.8061       62.57013 
1 1 1 22  28 4  o 367.2948 16.47699 32.07040       2.846833  20.40131       5.998909  35.46220       3.234214  279.5364 47.30875 385.8828 17.81738 -106.3464      50.55271 
1 1 1 22  28 5  o 307.6783 17.93687 22.62552       2.584790  15.81748       5.666127  24.41461       2.904630  243.3160 51.12943 319.2170 19.43608 -75.90100      54.69899 
1 1 1 22  28 6  f 78.93777 33.85445 0.4684323E-01  2.251134  -3.587991      4.948014  0.9955773      2.527906  96.40713 44.87816 91.62513 37.30480 4.781998       58.35836 
1 1 1 22  28 7  o 217.4326 22.06326 11.45378       2.225393  11.08502       5.454600  11.52742       2.437481  200.8735 55.75467 217.4934 24.23682 -16.61989      60.79480 
1 1 1 22  28 8  o 101.6248 39.82937 1.745967       2.772146  1.705708       5.371666  1.760581       3.236418  126.5347 53.19480 106.7428 42.65163 19.79190       68.18246 
1 1 1 22  28 9  o 209.6190 42.81755 11.50036       4.079335  7.648633       5.835571  15.18133       5.704754  170.2405 59.34123 236.2090 52.68257 -65.96846      79.35259 
1 1 1 22  28 10 o 97.60804 42.53770 -0.1016203     3.668369  1.405173       5.199644  -1.594828      5.176151  122.6979 51.99845 106.8492 48.28278 15.84867       70.95820 
1 1 1 22  28 11 o 381.2842 40.73601 37.24733       7.193206  0.000000       0.000000  37.24733       7.193206  ?        ?        381.2842 40.73601 0.000000       40.73601 
1 1 1 22  30 0  o 218.3666 25.23662 11.70001       2.544558  8.724733       5.012215  12.73308       2.953462  177.8714 54.63745 226.7561 28.30518 -48.88474      61.53400 
1 1 1 22  30 1  o 229.9968 33.07831 13.31578       3.475806  0.000000       0.000000  13.31578       3.475806  ?        ?        229.9968 33.07831 0.000000       33.07831 
1 1 1 22  30 2  o 319.4671 28.87776 25.13862       4.292777  18.61475       5.897384  32.49109       6.260699  263.3301 49.42430 358.1008 37.73420 -94.77069      62.18225 
1 1 1 22  30 3  o 139.4829 46.11847 4.969497       3.519710  8.427468       5.079822  1.776457       4.881351  175.2535 55.19943 121.9276 50.94750 53.32587       75.11741 
1 1 1 23  1  0  o 659.8796 14.75401 102.5652       4.579775  98.21642       8.691713  104.2366       5.388483  644.4403 28.67170 665.0594 17.22411 -20.61908      33.44751 
1 1 1 23  1  1  o 218.2709 25.40023 11.40357       2.559201  7.976232       3.578022  14.99358       3.661949  179.5196 42.94667 249.6562 31.91195 -70.13657      53.50504 
1 1 1 23  1  2  o 977.1013 14.21257 224.8520       6.532533  221.8901       9.202843  227.8601       9.274365  969.9905 20.16904 982.9673 20.05746 -12.97681      28.44454 
1 1 1 23  1  3  o 469.0169 15.64186 51.82263       3.451010  47.33292       4.740118  56.88643       5.034066  447.2805 22.60215 491.0240 21.79450 -43.74347      31.39837 
1 1 1 23  1  4  o 391.6247 17.72678 36.14865       3.265647  30.11660       4.503414  42.83820       4.742501  355.9442 27.09978 425.3080 23.80021 -69.36383      36.06728 
1 1 1 23  1  5  o 100.5806 41.03333 0.9011232      3.066226  -0.6021396     3.680671  4.310345       5.542902  98.18887 42.70187 153.0305 57.20629 -54.84165      71.38634 
1 1 1 23  1  6  o 350.4098 28.96048 29.24434       4.730876  31.92628       6.845646  26.79251       6.545387  364.1426 40.65857 332.7476 42.80972 31.39499       59.04059 
1 1 1 23  1  7  o 508.0037 19.76223 60.87025       4.722503  52.88348       8.279819  64.72124       5.749384  470.2788 37.74603 523.5336 23.34573 -53.25479      44.38227 
1 1 1 23  1  8  o 1252.019 16.49077 369.4537       9.712277  359.5817       13.41850  380.3161       14.07551  1233.947 23.11736 1268.921 23.58090 -34.97351      33.02228 
1 1 1 23  1  9  o 230.7449 29.77921 12.81696       3.156894  13.86142       4.525472  11.82694       4.405970  237.6973 42.01001 218.7091 44.34340 18.98824       61.08337 
1 1 1 23  1  10 o 1112.059 16.23288 291.5301       8.491660  280.6488       11.74817  303.4345       12.28806  1089.878 22.91517 1133.227 23.05138 -43.34937      32.50340 
1 1 1 23  1  11 o 554.8076 17.53190 72.60676       4.575522  70.81873       6.389872  74.48828       6.554811  547.1418 24.82693 561.1374 24.83257 -13.99561      35.11457 
1 1 1 23  1  12 o 516.8853 18.45064 63.06161       4.486162  63.66805       6.517946  62.51573       6.183999  517.6622 26.85900 513.8060 25.58591 3.856201       37.09508 
1 1 1 23  1  13 o 519.1821 21.42626 63.74030       5.232815  61.71225       8.574041  64.94409       6.605727  507.1189 36.17974 522.5671 26.96448 -15.44821      45.12268 
1 1 1 23  1  14 o 398.5880 24.78462 37.81963       4.624021  34.25792       5.729863  44.47087       7.830073  377.5980 32.57748 428.6897 39.26499 -51.09171      51.01991 
1 1 1 23  1  15 o 160.5615 48.57314 6.355399       3.981685  7.633040       5.102917  4.366826       6.366264  176.1579 55.29891 157.2061 60.70385 18.95171       82.11533 
1 1 1 23  1  16 o 505.0593 23.26317 60.58196       5.526887  52.94293       9.641635  64.32060       6.745095  464.2401 44.70342 518.6441 27.74767 -54.40399      52.61491 
1 1 1 23  1  17 o 132.5676 49.17834 3.521011       4.080935  1.346465       4.812849  9.084424       7.698188  122.8758 50.90166 194.2024 68.13066 -71.32663      85.04568 
1 1 1 23  1  18 o 720.9670 20.81845 123.5179       7.060462  117.9846       12.25196  126.2691       8.639208  695.7455 37.57501 727.2023 25.25512 -31.45679      45.27364 
1 1 1 23  1  19 o 101.1555 42.81868 0.4401922      3.519205  0.9606044      4.919700  -0.1051499     5.036159  120.4913 50.79423 115.5073 50.09119 4.983986       71.33849 
1 1 1 23  1  20 o 354.8856 36.26321 31.11475       5.968698  31.11475       5.968698  0.000000       0.000000  354.8856 36.26321 ?        ?        0.000000       36.26321 
1 1 1 23  1  21 o 134.5056 49.80038 3.927477       4.180800  3.005351       7.049299  4.427824       5.192617  148.2201 61.51854 144.9351 55.10567 3.284958       82.59035 
1 1 1 23  1  22 o 96.64150 45.13188 -3.919110      5.068342  -3.919110      5.068342  0.000000       0.000000  96.64150 45.13188 ?        ?        0.000000       45.13188 
1 1 1 23  1  23 o 269.3856 31.53709 18.00650       3.920733  20.91675       5.673904  15.34693       5.424040  284.1855 43.85477 239.5243 49.76540 44.66122       66.33125 
1 1 1 23  1  24 o 243.8371 35.50401 15.04852       3.952812  13.04839       5.564081  17.08653       5.616529  217.1252 54.54708 252.6668 49.02381 -35.54167      73.33975 
1 1 1 23  1  25 o 266.4783 38.62954 18.23826       4.701107  18.74340       5.742385  17.21165       8.186274  264.5420 47.90934 238.2573 69.04272 26.28468       84.03690 
1 1 1 23  1  26 o 208.3773 40.18692 11.42131       3.796400  12.30167       5.434195  10.58202       5.305943  207.9697 54.78443 192.5546 55.52303 15.41513       78.00089 
1 1 1 23  1  27 o 312.7094 28.05900 24.30716       4.083540  25.06507       5.786255  23.55512       5.763806  308.7431 40.84375 298.1053 42.28815 10.63785       58.79201 
1 1 1 23  1  28 o 132.0809 48.48206 4.436460       3.948058  -1.205113      6.653208  7.502786       4.905013  117.7323 53.80087 161.1376 54.46265 -43.40534      76.55530 
1 1 1 23  1  29 o 203.6886 53.23281 12.48213       5.157270  1.465815       6.875950  26.64982       7.797657  127.7998 56.85677 295.3843 58.18870 -167.5845      81.35488 
1 1 1 23  1  30 f 102.4459 45.35246 0.4173504      4.322834  0.5823425      5.974649  0.2360880      6.262311  115.8422 52.15319 116.2589 52.76538 -0.4167480     74.18990 
1 1 1 23  1  31 o 168.1673 60.93510 10.12188       6.207832  10.12188       6.207832  0.000000       0.000000  168.1673 60.93510 ?        ?        0.000000       60.93510 
1 1 1 23  3  0  o 678.5226 14.86674 108.4479       4.745143  107.3127       9.282368  108.8495       5.521062  673.5037 29.29877 679.5993 17.27032 -6.095581      34.01003 
1 1 1 23  3  1  o 839.5659 14.81952 166.0320       5.852725  178.0024       12.01694  162.3095       6.701234  867.4145 29.45087 829.8914 17.16581 37.52307       34.08839 
1 1 1 23  3  2  o 1262.260 15.62019 375.3607       9.274794  380.4098       13.27303  370.5429       12.96546  1269.656 22.22360 1253.125 21.99501 16.53162       31.26770 
1 1 1 23  3  3  o 1058.610 14.79442 263.9690       7.367216  263.6144       10.41637  264.3240       10.42127  1057.116 20.94713 1058.540 20.92878 -1.424438      29.61074 
1 1 1 23  3  4  o 1157.928 17.96736 316.0530       9.786675  328.3145       12.24018  294.3223       16.29496  1179.517 22.06045 1114.972 31.06847 64.54492       38.10398 
1 1 1 23  3  5  o 341.8027 23.13093 27.70584       3.697207  24.95348       4.447946  33.85851       6.650267  323.4116 29.56412 375.6343 38.16618 -52.22269      48.27727 
1 1 1 23  3  6  o 948.5660 15.07243 211.9737       6.725432  221.5821       9.727088  203.1734       9.309072  969.0342 21.33902 927.9103 21.32707 41.12384       30.16948 
1 1 1 23  3  7  o 807.8901 17.97018 153.8817       6.829267  153.7753       12.17943  153.9305       8.247863  805.4885 32.14387 807.5731 21.71152 -2.084595      38.78942 
1 1 1 23  3  8  o 1163.323 19.02960 319.2019       10.41356  337.0987       19.16637  311.7060       12.40414  1191.755 34.18879 1148.846 22.95280 42.90869       41.17893 
1 1 1 23  3  9  o 1186.323 23.45793 332.5239       13.09068  334.7206       19.05101  330.5589       18.01817  1187.234 34.11241 1180.366 32.45074 6.867554       47.08192 
1 1 1 23  3  10 o 852.6013 15.84575 171.3566       6.355184  174.7744       9.137286  168.1540       8.845013  860.0735 22.58460 843.6763 22.28709 16.39716       31.72977 
1 1 1 23  3  11 o 543.8693 17.77278 69.78473       4.546941  72.26805       6.508292  67.41691       6.355134  552.6293 25.03594 533.7230 25.31276 18.90631       35.60244 
1 1 1 23  3  12 o 253.1412 34.17849 15.52679       3.965858  12.97265       6.311806  17.19291       5.097820  226.4847 58.74561 264.7060 42.36936 -38.22130      72.43073 
1 1 1 23  3  13 o 123.7530 44.24678 3.178684       3.260631  4.010155       4.764349  2.446128       4.471982  143.5112 53.15691 128.5841 50.52829 14.92708       73.34007 
1 1 1 23  3  14 o 393.9999 31.16898 37.23070       5.729649  0.000000       0.000000  37.23070       5.729649  ?        ?        393.9999 31.16898 0.000000       31.16898 
1 1 1 23  3  15 o 818.2277 17.45569 158.2415       6.718627  153.9793       9.111131  163.3215       9.946939  805.3632 24.04979 828.9552 25.50875 -23.59198      35.05836 
1 1 1 23  3  16 o 382.4338 23.13650 34.86555       4.142612  37.72686       5.702692  31.66859       6.027900  395.8678 30.86785 360.9542 35.98084 34.91360       47.40723 
1 1 1 23  3  17 o 396.4966 22.65065 37.49784       4.207112  36.26475       5.956697  38.72520       5.942836  386.8748 33.04858 400.2872 31.82385 -13.41245      45.87991 
1 1 1 23  3  18 o 385.3850 23.53820 35.53172       4.246687  29.63854       5.836165  42.16322       6.190971  347.7603 36.20707 417.1533 31.78889 -69.39297      48.18179 
1 1 1 23  3  19 o 536.2164 23.23577 68.64721       5.860928  58.68015       10.41313  73.26870       7.090697  483.3648 46.36592 552.4180 27.28675 -69.05313      53.79931 
1 1 1 23  3  20 o 471.5375 21.29766 53.05277       4.724083  61.70622       6.902037  45.42600       6.479672  504.6156 29.20167 431.3365 32.16636 73.27905       43.44436 
1 1 1 23  3  21 o 184.5044 46.37672 8.939920       4.020553  11.93520       6.695735  7.250994       5.027883  207.9888 63.00376 167.4682 55.10855 40.52058       83.70440 
1 1 1 23  3  22 o 141.8404 46.94464 5.047178       3.646612  7.965669       5.268796  2.363711       5.052198  173.2128 56.38510 128.4997 52.57563 44.71309       77.09394 
1 1 1 23  3  23 o 135.3170 49.03230 4.266484       4.019488  9.464086       4.932979  -6.001784      6.933562  186.3088 53.48213 108.6871 51.38588 77.62178       74.16769 
1 1 1 23  3  24 o 127.9469 48.96743 3.413147       4.117208  4.813957       5.097627  0.7847801      6.982668  144.9431 54.72152 133.8557 58.50127 11.08737       80.10520 
1 1 1 23  3  25 o 642.8703 19.60730 99.10934       5.929396  96.06833       8.240960  102.3734       8.537780  626.7433 27.95238 646.8901 28.05725 -20.14679      39.60486 
1 1 1 23  3  26 o 157.3378 51.89166 6.731780       4.457099  3.855530       7.385459  8.379416       5.589782  148.5218 62.40268 172.4520 58.14086 -23.93021      85.29041 
1 1 1 23  3  27 o 244.1168 35.72079 15.39287       3.980558  13.08656       5.564404  17.81011       5.696643  212.1516 55.22130 253.1646 49.60919 -41.01294      74.23250 
1 1 1 23  3  28 o 120.5367 50.67383 2.203352       4.874682  3.614745       7.235581  1.030321       6.596359  141.9705 60.78596 126.3764 55.98105 15.59412       82.63662 
1 1 1 23  3  29 o 76.30930 36.47160 -3.883068      3.686609  -9.702736      6.061008  -0.4656346     4.644573  86.05707 42.37146 102.2003 45.99994 -16.14323      62.54066 
1 1 1 23  3  30 o 74.18815 37.07344 -11.67658      5.352024  -11.67658      5.352024  0.000000       0.000000  74.18815 37.07344 ?        ?        0.000000       37.07344 
1 1 1 23  3  31 o 173.8270 59.92356 10.75803       5.942737  10.75803       5.942737  0.000000       0.000000  173.8270 59.92356 ?        ?        0.000000       59.92356 
1 1 1 23  5  0  o 228.8915 27.89531 12.57096       2.941392  14.83353       5.959550  11.84230       3.382029  244.1120 53.38552 221.0603 33.57975 23.05167       63.06833 
1 1 1 23  5  1  o 648.2390 15.49394 99.00127       4.724612  90.72533       9.011880  102.1381       5.548215  618.9981 30.94972 658.2417 17.91838 -39.24359      35.76246 
1 1 1 23  5  2  o 400.7759 26.37882 38.12444       4.945295  40.13080       6.918601  36.02854       7.071306  409.6194 36.28151 387.3577 39.35421 22.26166       53.52664 
1 1 1 23  5  3  o 431.0129 24.54262 44.01979       4.955412  45.51130       7.398350  42.80619       6.673580  436.3856 36.37218 423.5994 33.77213 12.78613       49.63358 
1 1 1 23  5  4  o 928.8051 16.92825 203.3183       7.396155  200.0523       8.927866  210.4637       13.20540  920.8614 20.61029 942.9719 29.77032 -22.11047      36.20851 
1 1 1 23  5  5  o 147.1446 38.47182 5.335627       2.692931  5.465834       3.763855  5.199071       3.854524  151.7692 47.46788 149.3856 48.19424 2.383575       67.64528 
1 1 1 23  5  6  o 226.5382 27.64835 12.31701       2.885188  12.97937       4.100047  11.66728       4.060780  230.4851 39.22092 217.8826 41.12800 12.60249       56.83127 
1 1 1 23  5  7  o 766.9921 15.04246 138.6082       5.427239  145.1064       7.893381  132.7816       7.474305  784.0563 21.40161 750.0474 21.18424 34.00897       30.11313 
1 1 1 23  5  8  o 175.3581 42.72059 7.629989       3.491483  0.2166766      6.363177  10.82338       4.176322  134.5212 57.28438 209.0789 43.86301 -74.55763      72.14890 
1 1 1 23  5  9  o 586.0026 19.15917 81.02766       5.281358  94.11416       10.19398  76.22634       6.174653  628.3514 34.62193 567.9613 23.11131 60.39014       41.62704 
1 1 1 23  5  10 o 269.3307 26.32396 17.33362       3.292444  17.05127       4.760618  17.59249       4.558399  264.5421 39.46319 269.3468 36.95138 -4.804688      54.06244 
1 1 1 23  5  11 o 454.1321 21.01424 48.72964       4.489161  39.44709       7.067758  55.00693       5.812112  404.9205 37.53257 481.2703 25.76641 -76.34979      45.52583 
1 1 1 23  5  12 o 479.1279 25.73376 54.56133       5.778712  54.56133       5.778712  0.000000       0.000000  479.1279 25.73376 ?        ?        0.000000       25.73376 
1 1 1 23  5  13 o 264.1302 28.28357 16.76540       3.459529  18.37580       4.985714  15.27002       4.804350  273.9752 39.85363 248.5735 42.62167 25.40173       58.35168 
1 1 1 23  5  14 o 584.8975 17.75305 80.84644       4.884523  84.25909       7.088868  77.76156       6.739857  595.6622 25.29924 572.2914 25.03596 23.37085       35.59285 
1 1 1 23  5  15 o 281.2275 32.56924 19.18028       4.228844  21.15544       5.158076  15.13080       7.385598  293.9566 38.20545 240.9030 64.06368 53.05367       74.59097 
1 1 1 23  5  16 o 690.8088 17.97011 112.9581       5.839531  115.5933       8.070441  110.0624       8.460015  696.8858 24.61877 679.3813 26.47209 17.50452       36.15046 
1 1 1 23  5  17 o 224.1187 35.15105 12.40783       3.583934  18.84195       5.200883  6.589746       4.945642  275.0530 41.48660 164.5039 54.68124 110.5491       68.63801 
1 1 1 23  5  18 o 115.9529 43.96971 2.508355       3.300450  -0.8555657     4.549968  6.243926       4.794728  106.0631 46.76218 160.1255 53.84824 -54.06235      71.31854 
1 1 1 23  5  19 o 150.0832 45.60571 5.695249       3.504346  3.055683       5.051075  8.144824       4.865898  135.1892 53.51628 177.1461 53.72002 -41.95694      75.82766 
1 1 1 23  5  20 o 390.9421 26.40257 36.93283       4.826977  33.53151       7.680613  39.15320       6.205618  362.7738 46.04497 399.4772 33.32783 -36.70343      56.84086 
1 1 1 23  5  21 o 333.1714 25.35681 26.87304       3.944201  25.75589       5.256207  28.31279       5.967056  321.9136 35.28920 336.0504 38.43883 -14.13678      52.18114 
1 1 1 23  5  22 o 290.5561 29.18362 20.72630       3.934851  23.78355       5.545579  17.62647       5.584060  306.4520 39.38058 258.9914 47.58847 47.46063       61.76967 
1 1 1 23  5  23 o 133.2147 48.10654 4.137732       3.864370  0.5298861      4.666105  12.01546       6.894948  112.9062 48.58923 205.3855 64.24793 -92.47930      80.55254 
1 1 1 23  5  24 o 416.2143 28.46813 42.47677       5.540262  43.49162       6.670640  40.21998       9.947457  417.4184 34.27503 382.9642 56.95224 34.45413       66.47056 
1 1 1 23  5  25 o 239.4788 34.51249 14.55405       3.775620  9.829991       5.222238  19.72772       5.465103  186.9717 55.41825 273.8263 43.91215 -86.85455      70.70686 
1 1 1 23  5  26 o 150.1001 46.71356 6.073903       3.650272  7.799338       5.249990  4.459162       5.078794  167.1370 56.34604 139.8484 54.15841 27.28857       78.15376 
1 1 1 23  5  27 o 171.3652 55.21746 8.482183       5.060977  0.000000       0.000000  8.482183       5.060977  ?        ?        171.3652 55.21746 0.000000       55.21746 
1 1 1 23  5  28 o 220.1505 41.89557 13.17830       4.180165  8.775269       6.855335  15.78442       5.274125  169.9319 63.60070 235.7218 49.15618 -65.78995      80.38271 
1 1 1 23  5  29 o 198.6150 41.70630 10.94837       3.772528  8.475031       6.220150  12.38757       4.744825  164.2553 60.75811 205.1881 49.68744 -40.93283      78.48815 
1 1 1 23  5  30 o 153.9849 58.65530 7.562426       5.890020  7.562426       5.890020  0.000000       0.000000  153.9849 58.65530 ?        ?        0.000000       58.65530 
1 1 1 23  7  0  o 112.7323 39.31075 2.699856       2.561023  1.908740       5.561459  2.912765       2.885131  136.3912 55.40922 118.1219 41.68611 18.26929       69.33912 
1 1 1 23  7  1  o 868.4362 17.91973 177.8114       7.320465  189.8633       12.93584  172.1334       8.878995  895.3033 30.71532 853.9232 22.10425 41.38019       37.84216 
1 1 1 23  7  2  o 1117.116 18.60853 294.2795       9.778666  280.5589       16.20307  302.1397       12.26384  1088.102 31.65617 1131.156 23.04807 -43.05408      39.15771 
1 1 1 23  7  3  o 107.9490 44.94166 0.6430165      3.778630  -1.211950      5.767447  2.038050       5.001589  121.0014 53.01791 131.7036 52.88141 -10.70220      74.88219 
1 1 1 23  7  4  o 808.6004 14.39487 154.0265       5.475339  162.0931       7.937682  146.7044       7.562530  828.8478 20.35868 788.5187 20.38852 40.32910       28.81263 
1 1 1 23  7  5  o 1077.284 15.12722 273.4500       7.665817  277.9273       10.95161  269.1489       10.73387  1085.085 21.45582 1067.826 21.36911 17.25854       30.28186 
1 1 1 23  7  6  o 890.6836 14.78932 186.9201       6.196422  192.5818       8.897823  181.5888       8.634248  903.2689 20.94100 877.1119 20.92667 26.15698       29.60492 
1 1 1 23  7  7  o 423.9706 17.34970 42.38560       3.460167  38.42991       4.870641  46.41615       4.916512  402.2578 25.87756 442.5588 23.70265 -40.30103      35.09221 
1 1 1 23  7  8  o 211.3906 29.97068 10.80026       2.896782  8.797138       4.085786  12.82487       4.107637  187.9363 46.47621 228.7650 39.60513 -40.82870      61.06230 
1 1 1 23  7  9  o 287.2369 28.84409 19.75230       3.844674  21.91736       7.742339  19.04369       4.429388  295.8702 57.70158 280.9633 34.22078 14.90683       67.08602 
1 1 1 23  7  10 o 249.1371 39.70114 15.18841       4.496600  0.000000       0.000000  15.18841       4.496600  ?        ?        249.1371 39.70114 0.000000       39.70114 
1 1 1 23  7  11 o 667.9887 16.11252 105.2650       5.062929  113.4116       7.544347  98.58999       6.829092  692.2459 23.16818 645.5440 22.48888 46.70190       32.28799 
1 1 1 23  7  12 o 822.9699 16.06400 159.8348       6.218804  165.5091       9.042243  154.7419       8.566465  835.9764 22.99391 808.4387 22.52606 27.53766       32.18918 
1 1 1 23  7  13 o 412.8800 19.90267 40.32915       3.865489  40.24118       5.471261  40.41682       5.462005  410.2198 28.53070 411.1461 28.41578 -0.9262695     40.26733 
1 1 1 23  7  14 o 139.2439 43.97952 4.667224       3.222870  2.416493       4.563208  6.907369       4.552464  128.5143 50.86865 167.5066 52.17403 -38.99225      72.86803 
1 1 1 23  7  15 o 299.5405 29.20874 21.63763       4.063275  14.90977       4.828578  37.96077       7.521122  244.0857 43.65663 393.4995 41.24520 -149.4137      60.05887 
1 1 1 23  7  16 o 338.1887 28.22638 27.54018       4.449348  29.33193       5.401946  23.76041       7.845942  347.4998 33.46015 303.3303 57.08180 44.16946       66.16580 
1 1 1 23  7  17 o 398.5125 22.05672 37.90586       4.118683  38.58816       5.794622  37.20921       5.855247  399.2575 31.09869 391.6703 32.06105 7.587250       44.66587 
1 1 1 23  7  18 o 233.6073 34.29542 13.50171       3.656501  11.81480       4.988814  15.45981       5.374888  212.8386 50.57519 244.9879 48.35638 -32.14929      69.97278 
1 1 1 23  7  19 f 177.5922 44.17889 8.158859       3.675554  4.319263       5.901579  10.59199       4.697948  149.6084 58.25743 200.8250 49.94030 -51.21660      76.73306 
1 1 1 23  7  20 o 278.6627 35.24604 19.31224       4.516868  12.60702       8.451703  21.99308       5.344071  212.9910 71.49335 295.7299 39.39562 -82.73889      81.62912 
1 1 1 23  7  21 o 108.0786 43.44489 1.685279       3.380003  -2.086404      4.517497  6.481852       5.094431  97.99931 44.60800 160.3341 55.47004 -62.33483      71.18146 
1 1 1 23  7  22 o 270.1393 30.12197 18.00102       3.762545  13.80413       4.891363  24.08313       5.888349  228.6385 47.04815 306.8386 41.89017 -78.20006      62.99456 
1 1 1 23  7  23 o 219.7879 36.26575 12.28209       3.618680  13.33517       4.916271  11.03693       5.345847  223.3966 48.19839 199.9299 55.08169 23.46669       73.19205 
1 1 1 23  7  24 o 242.4295 35.34555 14.90067       3.912218  17.70591       5.392063  11.78237       5.684975  258.6843 45.99690 204.5686 56.96963 54.11571       73.22058 
1 1 1 23  7  25 o 217.4297 37.12342 12.19384       3.660655  17.38928       5.192890  7.061724       5.161151  255.9247 44.76506 161.8481 55.84129 94.07660       71.56927 
1 1 1 23  7  26 o 375.0959 27.58709 34.76043       4.833472  35.52319       7.733507  34.27147       6.191824  364.2783 46.16690 366.0481 36.44380 -1.769836      58.81780 
1 1 1 23  7  27 o 177.5119 46.39641 8.794874       3.917427  13.59988       6.628021  6.215190       4.856463  209.4267 62.51550 150.8480 53.99272 58.57870       82.60388 
1 1 1 23  7  28 o 153.9758 47.94375 6.757642       3.844519  -1.179548      6.610629  10.81414       4.725905  116.4397 53.36535 191.8395 51.35221 -75.39973      74.06018 
1 1 1 23  7  29 o 94.02091 42.56223 -0.7755811     4.043167  6.893579       5.774550  -8.151011      5.662888  151.9918 58.03407 85.31208 41.79229 66.67976       71.51607 
1 1 1 23  7  30 o 84.70448 39.62001 -2.232107      3.931367  -5.823425      5.275156  2.254459       5.896108  86.36447 41.86288 121.6265 53.44099 -35.26202      67.88550 
1 1 1 23  9  0  o 671.4877 16.80396 106.3009       5.307853  107.4911       10.06964  105.8430       6.246046  673.1986 31.79811 669.7314 19.82600 3.467163       37.47253 
1 1 1 23  9  1  o 416.5558 21.23002 41.06924       4.146198  62.48514       8.513998  34.41140       4.747139  511.5538 35.60314 380.4617 26.69378 131.0921       44.49878 
1 1 1 23  9  2  o 326.7661 22.56571 25.33825       3.447355  21.04043       6.871385  26.78388       3.985181  291.7533 51.97326 335.6119 25.43200 -43.85855      57.86196 
1 1 1 23  9  3  o 250.9590 33.50601 15.20884       3.856651  0.000000       0.000000  15.20884       3.856651  ?        ?        250.9590 33.50601 0.000000       33.50601 
1 1 1 23  9  4  f 164.7157 43.17083 6.717946       3.385572  5.202141       6.595835  7.260165       3.944897  166.5535 62.37569 171.4307 47.35272 -4.877182      78.31352 
1 1 1 23  9  5  o 275.3730 23.12088 18.04345       2.967267  15.43271       4.081428  20.97042       4.321558  252.4079 35.34401 295.6744 31.55873 -43.26656      47.38305 
1 1 1 23  9  6  o 532.3920 15.65387 66.81440       3.920331  68.35658       5.621633  65.35436       5.469852  537.8943 22.21755 525.9611 22.10816 11.93323       31.34311 
1 1 1 23  9  7  o 628.8871 15.11648 93.22573       4.471905  94.77851       6.334504  91.68299       6.314005  633.4258 21.25923 622.9594 21.54646 10.46643       30.26887 
1 1 1 23  9  8  o 520.6006 16.10833 63.91475       3.944796  63.98665       5.551355  63.84140       5.606625  520.2161 22.68537 519.5948 22.93863 0.6212769      32.26153 
1 1 1 23  9  9  o 658.1317 17.11272 102.2046       5.297868  102.8835       8.492805  101.7721       6.778418  658.6502 27.41114 656.0521 21.96447 2.598145       35.12561 
1 1 1 23  9  10 o 483.8009 21.39804 55.35897       4.869788  50.95125       9.520419  56.92088       5.667306  457.8541 44.77695 489.5209 24.69097 -31.66678      51.13334 
1 1 1 23  9  11 o 296.0776 29.53725 21.06061       4.058908  12.33948       8.308052  23.79478       4.651855  222.0837 70.66202 314.3645 31.89925 -92.28075      77.52859 
1 1 1 23  9  12 o 172.3456 38.91455 7.418046       3.080209  13.91094       4.564895  1.990786       4.173514  236.6481 42.57238 121.6567 48.49164 114.9915       64.52788 
1 1 1 23  9  13 o 307.0104 24.14652 22.52146       3.459059  22.22481       4.819428  22.83664       4.967634  302.5347 34.48100 306.5575 35.07989 -4.022766      49.18880 
1 1 1 23  9  14 o 183.1087 43.99805 8.486066       3.742567  8.503918       4.761016  8.457194       6.054782  182.9880 52.54541 185.0376 60.45493 -2.049667      80.09881 
1 1 1 23  9  15 o 559.0624 17.99543 74.01727       4.732512  89.16582       7.045436  61.56285       6.388282  611.8383 24.47946 507.0602 26.87873 104.7781       36.35533 
1 1 1 23  9  16 o 674.3085 17.45332 107.7193       5.536125  115.8789       7.935874  99.98389       7.726837  697.0704 24.20187 647.0539 25.38586 50.01648       35.07381 
1 1 1 23  9  17 o 172.0025 47.56852 7.615449       3.978119  7.908814       4.665560  6.834126       7.614027  175.2799 52.47928 176.6438 66.83229 -1.363861      84.97429 
1 1 1 23  9  18 o 335.6246 24.69768 27.11586       3.871840  24.81078       5.485115  29.40503       5.466151  316.2123 37.61336 346.1385 34.01002 -29.92615      50.70943 
1 1 1 23  9  19 f 88.10105 38.94635 -0.7145907     3.176768  -1.255063      4.469867  -0.1629677     4.515742  102.0810 45.59698 108.5927 47.26263 -6.511688      65.67222 
1 1 1 23  9  20 o 273.9971 30.11790 18.43972       3.817799  18.49468       5.286939  18.37984       5.518895  268.6284 43.31211 266.6124 45.64655 2.016022       62.92493 
1 1 1 23  9  21 o 123.7856 49.59638 2.478684       4.389253  -3.100476      8.697258  4.385242       5.084204  133.7511 61.26678 143.0947 54.49823 -9.343643      81.99802 
1 1 1 23  9  22 o 267.1800 33.68310 17.82569       4.139281  20.01483       5.136180  13.76932       6.991524  280.1062 40.12701 219.7903 63.83892 60.31586       75.40282 
1 1 1 23  9  23 o 141.3900 46.67857 5.095221       3.606222  2.324323       4.883161  8.419357       5.348478  125.8732 51.61636 175.7735 56.77740 -49.90038      76.73280 
1 1 1 23  9  24 o 212.9130 38.93456 11.74969       3.755781  13.47379       5.166412  9.817379       5.469490  221.9528 50.60668 186.8836 57.01742 35.06924       76.23662 
1 1 1 23  9  25 o 305.1568 39.72993 24.11148       5.567861  30.23187       7.369100  15.96909       8.499651  335.4705 48.07128 225.1581 71.45435 110.3124       86.11952 
1 1 1 23  9  26 o 79.76071 37.54532 -3.149542      3.628033  -0.8255055E-01 5.905908  -5.008428      4.597871  118.1544 52.62072 85.04215 40.66908 33.11223       66.50499 
1 1 1 23  9  27 o 306.9323 32.67544 24.05702       4.645190  27.33948       8.007862  22.39236       5.702695  303.8171 58.15007 287.7071 43.49412 16.10999       72.61659 
1 1 1 23  9  28 o 209.7247 46.32601 12.49542       4.448343  12.27111       6.943113  12.65161       5.793588  191.9064 64.79745 201.0100 58.03498 -9.103607      86.98717 
1 1 1 23  9  29 o 74.60991 36.01668 -4.625814      3.809807  -5.401309      5.121827  -3.665280      5.700227  86.90511 41.90489 97.80584 46.34507 -10.90073      62.48109 
1 1 1 23  11 0  o 403.5216 18.28693 38.42097       3.471177  29.99406       6.835922  41.34872       4.029300  351.7303 42.15588 418.4441 20.47024 -66.71371      46.86309 
1 1 1 23  11 1  o 705.4768 14.76680 117.3030       4.900477  122.2949       10.79984  116.0087       5.499192  717.5796 31.99469 701.3740 16.66786 16.20557       36.07600 
1 1 1 23  11 2  o 796.1011 14.99759 149.3870       5.616415  162.4852       12.51621  146.0846       6.284686  827.0648 32.17095 787.0140 16.97586 40.05078       36.37513 
1 1 1 23  11 3  o 177.4681 36.86930 7.776562       2.977340  13.20155       6.676145  6.429741       3.326453  228.7836 60.94154 161.1040 43.06549 67.67966       74.62244 
1 1 1 23  11 4  o 1321.922 19.34955 412.5404       12.03222  410.2260       21.56766  413.5862       14.49805  1312.716 34.92713 1322.490 23.30494 -9.774292      41.98838 
1 1 1 23  11 5  o 462.4659 20.16581 50.51474       4.386971  53.38883       8.665665  49.52431       5.087003  471.0912 39.46829 456.9346 23.74862 14.15659       46.06238 
1 1 1 23  11 6  o 333.3746 19.53951 26.33683       3.050805  31.67660       4.474004  21.69605       4.170905  364.7055 26.25426 300.8323 29.86868 63.87317       39.76713 
1 1 1 23  11 7  o 234.3592 25.26910 13.16062       2.741681  9.129690       3.863585  17.24939       3.891208  191.2274 43.88135 267.5024 31.52906 -76.27496      54.03382 
1 1 1 23  11 8  o 151.1423 40.53670 5.670358       2.941464  0.4084424      4.297023  10.31021       4.035041  112.2125 47.39658 203.3031 43.50704 -91.09067      64.33738 
1 1 1 23  11 9  o 932.9135 15.56623 205.3674       6.831157  211.4757       10.06633  200.1531       9.300486  944.9785 22.64540 919.6430 21.49894 25.33551       31.22528 
1 1 1 23  11 10 o 543.9623 18.27500 69.93531       4.676226  65.93342       7.166853  72.90207       6.170741  525.4315 29.11003 554.4686 23.65871 -29.03711      37.51171 
1 1 1 23  11 11 o 708.2966 19.72122 118.7353       6.570799  112.7824       12.38545  121.0670       7.751612  683.2710 38.69336 714.4005 23.06646 -31.12952      45.04706 
1 1 1 23  11 12 o 184.0423 43.40297 8.546984       3.696528  8.989299       7.740240  8.416295       4.207331  195.0066 68.32189 182.1779 48.30822 12.82877       83.67535 
1 1 1 23  11 13 o 179.6679 40.49469 8.128098       3.340549  9.984613       4.147559  4.699763       5.636180  198.3608 45.42710 153.4451 57.62184 44.91570       73.37505 
1 1 1 23  11 14 o 232.4006 29.70650 13.14290       3.173256  11.54486       4.352695  14.95574       4.636015  213.3191 44.80256 244.5244 41.80661 -31.20529      61.27856 
1 1 1 23  11 15 o 338.6044 21.93525 27.38844       3.475066  26.30998       4.812894  28.56302       5.022794  329.1672 31.46617 343.0826 31.47359 -13.91531      44.50513 
1 1 1 23  11 16 o 337.7783 23.51965 27.35751       3.713758  30.40018       5.211001  24.21705       5.294079  353.5043 31.67280 313.4240 36.59692 40.08026       48.39939 
1 1 1 23  11 17 o 300.9698 26.39114 21.90088       3.698645  16.53139       4.982627  28.49073       5.519884  255.2576 43.02646 340.3220 34.97802 -85.06436      55.45032 
1 1 1 23  11 18 o 272.6040 34.88535 18.42954       4.370858  16.85008       5.196341  22.25030       8.081984  256.3694 44.71468 285.9312 61.88383 -29.56189      76.34796 
1 1 1 23  11 19 o 204.2311 37.63066 10.58218       3.482002  12.96615       4.882163  8.114110       4.967538  222.1925 48.10471 175.3943 54.47932 46.79828       72.67777 
1 1 1 23  11 20 o 284.3506 28.43032 19.77833       3.751848  15.70807       5.077434  24.67363       5.568303  245.7510 45.60071 313.1597 38.61775 -67.40877      59.75579 
1 1 1 23  11 21 o 146.9104 47.65498 5.507530       3.764868  9.655414       4.709817  -1.834126      6.265962  189.2964 51.51583 117.5579 53.12227 71.73856       73.99902 
1 1 1 23  11 22 o 362.5484 30.61443 32.37655       5.172267  29.53627       9.478802  33.58083       6.172140  322.6823 64.69884 365.9801 36.33179 -43.29788      74.20201 
1 1 1 23  11 23 o 223.9032 36.38613 12.79010       3.700771  12.40554       5.231780  13.17522       5.235584  212.2702 52.65076 219.4579 51.58638 -7.187637      73.71063 
1 1 1 23  11 24 o 206.9138 53.18246 11.97302       5.204687  0.8513675      6.637870  29.72355       8.385902  130.1815 56.96325 326.3432 56.68345 -196.1618      80.36059 
1 1 1 23  11 25 o 106.9058 44.37715 1.432698       3.668911  -1.064209      5.827320  3.072503       4.722409  113.7082 51.31994 127.5117 51.31869 -13.80354      72.57647 
1 1 1 23  11 26 o 125.9616 50.72062 3.138182       4.615530  0.6941142      5.689674  7.841856       7.893133  119.3910 52.47703 168.2002 66.79916 -48.80921      84.94685 
1 1 1 23  11 27 o 88.37128 40.46584 -1.546056      3.789583  2.126635       5.623352  -4.601665      5.129227  124.6045 53.47538 91.17083 43.42029 33.43372       68.88351 
1 1 1 23  11 28 o 147.2583 49.46393 6.299199       4.045696  4.890012       5.638690  7.794293       5.808023  138.6918 55.98574 159.0813 58.73733 -20.38951      81.14479 
1 1 1 23  11 29 o 147.8167 57.90380 6.709275       5.856740  0.000000       0.000000  6.709275       5.856740  ?        ?        147.8167 57.90380 0.000000       57.90380 
1 1 1 23  13 0  f 611.0400 13.65761 88.01207       3.925669  73.69204       8.701180  91.67187       4.398802  555.0830 33.48022 623.4728 14.99849 -68.38977      36.68623 
1 1 1 23  13 1  o 137.5134 36.00012 4.680270       2.356040  12.85375       6.203574  3.302631       2.546867  225.1300 58.16446 119.6777 39.21424 105.4523       70.14884 
1 1 1 23  13 2  f 264.6990 22.93164 16.70463       2.827122  18.57907       6.609680  16.28491       3.127662  272.1087 53.54486 260.8510 25.82876 11.25769       59.44895 
1 1 1 23  13 3  o 509.9850 16.19226 61.36665       3.884493  78.74554       8.930146  57.31094       4.314008  573.8702 33.22289 492.5934 18.61758 81.27682       38.08378 
1 1 1 23  13 4  o 330.8200 21.45111 25.99569       3.320190  24.97325       6.861923  26.30824       3.793865  318.2756 47.26828 332.3288 24.44007 -14.05325      53.21286 
1 1 1 23  13 5  o 433.6382 18.72049 44.42859       3.818687  36.77170       7.854934  46.79832       4.369834  388.3413 43.76202 444.8068 20.88451 -56.46548      48.48997 
1 1 1 23  13 6  o 640.0624 16.50915 96.71411       4.970686  107.1046       11.30945  94.22636       5.533840  667.9910 36.12592 631.4582 18.62999 36.53278       40.64675 
1 1 1 23  13 7  o 905.0446 16.51981 193.4099       7.033061  204.5779       11.81635  187.2830       8.752166  927.7579 27.07567 889.5472 20.91593 38.21069       34.21357 
1 1 1 23  13 8  o 625.1131 15.46366 92.24516       4.547160  90.94486       6.452684  93.52785       6.408851  619.5061 22.14244 628.3381 21.68291 -8.832031      30.99090 
1 1 1 23  13 9  o 200.9340 29.98826 9.838065       2.747712  10.49580       3.801152  9.118249       3.976479  205.0674 40.83979 190.0762 45.14438 14.99123       60.87613 
1 1 1 23  13 10 f 175.8462 34.59398 7.671465       2.759622  8.337730       3.824587  6.947852       3.985793  181.5699 45.00487 166.4781 48.15704 15.09184       65.91312 
1 1 1 23  13 11 o 368.8356 19.34628 32.31318       3.344892  33.74835       4.714090  30.85798       4.746863  375.2795 26.88191 358.3799 28.38980 16.89957       39.09754 
1 1 1 23  13 12 o 260.3058 41.20229 16.85863       4.877181  17.27705       8.535083  16.65577       5.943051  254.0367 69.43884 255.2066 51.28436 -1.169952      86.32403 
1 1 1 23  13 13 o 71.87766 34.76530 -5.605165      3.591377  -18.15398      7.690571  -2.105374      4.061423  91.38399 45.47018 93.51352 42.46184 -2.129532      62.21371 
1 1 1 23  13 14 o 361.3362 20.86775 31.14314       3.531864  25.87684       4.810020  37.30434       5.202677  326.1803 31.75123 393.3743 28.30507 -67.19400      42.53607 
1 1 1 23  13 15 o 248.5884 28.20561 15.02840       3.239882  20.82074       4.589815  9.275917       4.573996  291.1054 34.16755 188.7274 50.52055 102.3780       60.98973 
1 1 1 23  13 16 o 326.6653 24.08184 25.66641       3.674418  29.60016       5.255028  21.90341       5.139716  347.9109 32.48566 296.8545 37.65321 51.05649       49.73009 
1 1 1 23  13 17 o 206.0884 37.69568 10.73433       3.519718  14.65815       5.259553  7.551903       4.736674  236.9905 48.80433 170.5808 53.23350 66.40977       72.21958 
1 1 1 23  13 18 o 360.3370 28.05239 31.55229       4.717500  37.68207       5.603541  16.63496       8.741497  392.8239 30.56527 240.8768 71.76923 151.9471       78.00677 
1 1 1 23  13 19 o 245.8383 40.36827 15.38886       4.506218  23.98335       8.253504  11.73891       5.378629  295.4600 61.38929 208.4659 54.30610 86.99411       81.96217 
1 1 1 23  13 20 o 133.5594 47.97276 4.121435       3.837074  4.254711       4.684146  3.849584       6.689901  139.7297 52.51876 149.4919 60.75574 -9.762222      80.30866 
1 1 1 23  13 21 o 218.4344 35.56229 12.07221       3.528374  9.834272       4.866740  14.55189       5.122856  190.2956 52.60816 234.1689 48.11560 -43.87334      71.29327 
1 1 1 23  13 22 o 142.7785 45.88691 5.255384       3.496819  9.864096       4.888872  0.4277823      5.003623  189.5989 52.84084 115.3489 49.97576 74.25002       72.73054 
1 1 1 23  13 23 o 127.9852 44.48436 4.010127       3.278202  5.108273       4.556237  2.831488       4.720268  144.0230 52.20100 127.2014 51.26717 16.82161       73.16602 
1 1 1 23  13 24 o 163.9546 45.92756 7.313141       3.683474  4.922711       5.734163  8.992523       4.806255  146.5375 57.32442 178.7751 53.20560 -32.23766      78.21078 
1 1 1 23  13 25 o 115.1621 45.41108 2.594589       3.623784  5.564804       5.625344  0.4876921      4.737800  148.8158 57.16998 110.6349 48.27492 38.18086       74.82562 
1 1 1 23  13 26 o 112.7579 43.83653 2.681870       3.337306  4.860286       5.368115  1.309491       4.260774  140.8982 55.36225 110.0463 46.86893 30.85188       72.53741 
1 1 1 23  13 27 o 134.3298 48.87708 4.853676       4.000072  11.85791       5.885628  -1.158740      5.453020  193.2759 59.17984 106.4868 48.67952 86.78905       76.62864 
1 1 1 23  13 28 o 109.3767 46.12381 1.888851       4.058717  -1.810642      5.548301  6.147444       5.952808  103.0339 47.81461 145.8213 57.97931 -42.78744      75.15210 
1 1 1 23  15 0  o 335.6800 15.34315 26.59885       2.422754  20.83532       6.536833  27.51665       2.608533  288.4514 49.98657 341.3475 16.24539 -52.89612      52.56016 
1 1 1 23  15 1  o 134.8864 33.23857 4.521536       2.095384  11.71225       6.082950  3.553423       2.231986  214.0345 58.66973 121.0216 36.31234 93.01290       68.99799 
1 1 1 23  15 2  o 590.8076 13.92822 82.34235       3.870893  97.74079       9.727602  79.44531       4.219342  638.7011 32.48426 580.1213 15.46168 58.57977       35.97625 
1 1 1 23  15 3  o 147.5899 37.02627 5.433644       2.566270  8.983354       6.391301  4.751348       2.802071  191.3681 62.09224 138.9160 40.43369 52.45207       74.09675 
1 1 1 23  15 4  o 452.0580 17.52674 48.30031       3.727044  51.04043       8.410687  47.63076       4.157529  458.6462 39.36533 448.6258 19.70070 10.02042       44.01984 
1 1 1 23  15 5  f 592.2560 16.17731 82.85617       4.506974  85.99882       10.10429  82.07562       5.035668  597.2744 36.13362 589.1292 18.17094 8.145203       40.44529 
1 1 1 23  15 6  o 389.5660 22.91144 36.13584       4.180098  0.000000       0.000000  36.13584       4.180098  ?        ?        389.5660 22.91144 0.000000       22.91144 
1 1 1 23  15 7  o 384.5623 23.26516 35.24450       4.188832  0.000000       0.000000  35.24450       4.188832  ?        ?        384.5623 23.26516 0.000000       23.26516 
1 1 1 23  15 8  o 194.9147 30.23926 9.292059       2.682757  8.746269       3.683584  9.908567       3.914960  186.0988 42.95023 198.1983 43.21005 -12.09947      60.92479 
1 1 1 23  15 9  o 388.7000 18.24300 35.77269       3.335647  38.57058       4.658326  32.82845       4.778609  401.7616 24.76937 369.7882 27.67189 31.97336       37.13833 
1 1 1 23  15 10 o 298.6353 21.61357 21.29206       3.015722  26.59460       4.275779  16.04326       4.254055  332.4853 27.58762 255.2291 36.46964 77.25623       45.72867 
1 1 1 23  15 11 f 176.1213 38.90947 7.823355       3.137614  11.07295       3.918159  2.014566       5.238540  209.6470 41.19973 130.9798 53.55718 78.66727       67.57063 
1 1 1 23  15 12 o 139.2377 39.54254 4.864333       2.711109  5.701000       3.702808  3.897518       3.980399  151.3163 47.04137 134.6018 48.79021 16.71451       67.77444 
1 1 1 23  15 13 o 312.7942 30.51743 23.78780       4.433108  27.57729       8.719975  22.46702       5.148014  323.6871 59.46028 301.5950 37.06681 22.09210       70.06763 
1 1 1 23  15 14 o 226.5290 38.83214 12.89751       3.989026  7.945899       8.096921  14.48452       4.583916  184.7947 69.12903 239.0515 42.31230 -54.25676      81.05032 
1 1 1 23  15 15 o 99.09673 39.78793 1.303185       2.831326  -3.710602      3.902176  6.877300       4.114450  83.24699 39.10802 163.5029 49.35691 -80.25589      62.97255 
1 1 1 23  15 16 o 175.1063 40.92698 7.885648       3.310628  11.92331       4.915868  4.534485       4.478506  212.7899 49.96460 142.0652 51.71361 70.72464       71.90799 
1 1 1 23  15 17 o 239.6222 29.32780 14.09218       3.236792  13.18581       4.320853  15.25121       4.886120  226.9184 42.02681 243.4332 44.30133 -16.51483      61.06439 
1 1 1 23  15 18 o 197.2552 34.60103 9.791115       3.093524  9.153267       4.033292  10.70251       4.821200  186.7078 46.17926 200.3530 51.01859 -13.64523      68.81439 
1 1 1 23  15 19 o 180.2443 48.99501 8.633645       4.263095  8.633645       4.263095  0.000000       0.000000  180.2443 48.99501 ?        ?        0.000000       48.99501 
1 1 1 23  15 20 o 316.3031 25.03607 24.28083       3.694668  25.31748       5.009818  23.04470       5.470642  319.0370 33.90137 301.3365 39.54880 17.70050       52.09041 
1 1 1 23  15 21 o 360.4110 22.88875 31.39058       3.860391  31.73459       5.219998  30.97533       5.735122  358.3060 31.28416 351.7783 35.12778 6.527710       47.03892 
1 1 1 23  15 22 f 242.3497 33.04347 14.78173       3.668827  15.36873       5.002995  14.09881       5.396309  240.3660 45.92183 226.5765 51.76377 13.78954       69.19756 
1 1 1 23  15 23 o 164.0699 53.92105 7.399201       4.814101  0.000000       0.000000  7.399201       4.814101  ?        ?        164.0699 53.92105 0.000000       53.92105 
1 1 1 23  15 24 o 159.4168 45.23228 6.957268       3.549098  7.268134       5.455376  6.729147       4.673265  161.7924 57.29783 156.3697 53.15897 5.422760       78.15956 
1 1 1 23  15 25 o 144.8132 47.54280 5.756471       3.742914  8.935791       5.390674  2.796968       5.200982  173.6185 57.05873 126.9231 52.77384 46.69541       77.72243 
1 1 1 23  15 26 o 211.4420 43.62764 12.40676       4.195354  13.54043       5.836768  11.19501       6.034420  209.4266 57.49656 187.9999 60.26476 21.42673       83.29283 
1 1 1 23  17 0  o 541.3632 13.24605 69.16882       3.373217  76.96196       8.904501  67.86308       3.644870  564.8414 33.66590 536.0536 14.45455 28.78784       36.63778 
1 1 1 23  17 1  o 187.8547 23.06388 8.507700       1.995280  5.532105       6.089844  8.865539       2.111849  162.3614 60.10626 191.6424 23.94906 -29.28098      64.70177 
1 1 1 23  17 2  o 414.6472 14.77496 40.61064       2.881869  49.88110       7.861695  39.17155       3.097485  453.0450 37.21873 407.0629 16.17627 45.98206       40.58208 
1 1 1 23  17 3  o 766.5862 13.73090 138.7286       4.951415  139.9525       12.02058  138.4785       5.433806  763.0293 33.48999 765.6022 15.08800 -2.572876      36.73182 
1 1 1 23  17 4  o 276.1263 22.63657 18.23410       2.914423  17.25624       7.434974  18.41163       3.167953  256.3786 62.26850 277.0726 24.56070 -20.69400      66.93724 
1 1 1 23  17 5  o 655.5679 17.67520 101.7287       5.450689  0.000000       0.000000  101.7287       5.450689  ?        ?        655.5679 17.67520 0.000000       17.67520 
1 1 1 23  17 6  o 214.6515 55.90696 11.96790       5.701109  0.000000       0.000000  11.96790       5.701109  ?        ?        214.6515 55.90696 0.000000       55.90696 
1 1 1 23  17 7  o 100.2560 39.88671 1.370188       2.818882  3.070749       6.836046  1.021789       3.094194  150.8792 61.37848 100.6863 41.16460 50.19283       73.90428 
1 1 1 23  17 8  f 87.27937 37.85200 -0.2797305     2.876110  1.834721       6.520272  -0.7905298     3.204734  141.1622 58.92480 88.75230 39.18167 52.40990       70.76254 
1 1 1 23  17 9  o 246.0729 66.11277 16.29310       7.816039  16.29310       7.816039  0.000000       0.000000  246.0729 66.11277 ?        ?        0.000000       66.11277 
1 1 1 23  17 10 o 125.5850 41.61714 3.732140       2.865575  4.890078       3.491980  1.344530       5.014305  141.6809 45.88884 124.1110 51.72917 17.56988       69.14978 
1 1 1 23  17 11 o 298.0676 21.71607 21.26969       3.023903  24.44699       4.184476  17.79686       4.374757  317.8118 28.28560 268.4616 35.51373 49.35016       45.40155 
1 1 1 23  17 12 o 536.3917 16.22165 68.17898       4.093044  72.11494       5.591897  63.63655       6.007277  550.0722 21.61076 515.6656 24.76510 34.40662       32.86846 
1 1 1 23  17 13 o 143.6281 38.23527 5.242546       2.629039  4.370704       3.388062  6.561987       4.167995  134.9792 45.26590 160.4834 49.91180 -25.50415      67.38093 
1 1 1 23  17 14 o 472.7368 22.25490 53.38367       4.948966  58.44234       10.28436  51.85925       5.645613  480.9185 46.02271 463.9736 25.97144 16.94489       52.84511 
1 1 1 23  17 15 o 212.0917 46.66076 11.71316       4.528833  0.000000       0.000000  11.71316       4.528833  ?        ?        212.0917 46.66076 0.000000       46.66076 
1 1 1 23  17 16 o 112.5079 40.41774 2.757413       2.723774  1.359409       3.520638  4.841780       4.298871  107.3959 43.90898 143.5395 50.85997 -36.14355      67.19177 
1 1 1 23  17 17 o 160.8497 38.78536 6.653728       2.900499  6.818452       3.637091  6.365952       4.807338  161.7602 45.75207 158.9646 53.91673 2.795532       70.71255 
1 1 1 23  17 18 o 131.4800 42.43895 4.302282       2.988605  5.706354       3.962598  2.449987       4.551353  149.8075 48.90533 125.1343 50.37405 24.67325       70.20881 
1 1 1 23  17 19 o 168.6902 40.20240 7.399356       3.144907  8.089545       4.254895  6.568271       4.669039  174.0197 49.57848 159.2773 53.13900 14.74249       72.67586 
1 1 1 23  17 20 o 159.5828 45.94099 6.750341       3.635250  7.287486       4.109030  4.815696       7.798200  165.0954 49.20918 159.2558 65.25775 5.839630       81.73199 
1 1 1 23  17 21 o 263.4521 28.30754 17.14129       3.453090  11.54402       4.534547  24.86746       5.327555  206.7708 47.60518 313.0695 36.88350 -106.2988      60.22163 
1 1 1 23  17 22 o 124.0362 45.55038 3.562172       3.485599  3.680143       5.326190  3.473802       4.609815  136.3458 54.63216 130.3888 51.28075 5.956955       74.92922 
1 1 1 23  17 23 o 278.3713 29.98788 19.41539       3.864828  19.09037       6.176270  19.62457       4.954780  260.9916 52.13164 273.9448 39.59882 -12.95313      65.46583 
1 1 1 23  17 24 o 109.3912 46.10643 1.428841       4.052329  0.000000       0.000000  1.428841       4.052329  ?        ?        109.3912 46.10643 0.000000       46.10643 
1 1 1 23  17 25 o 193.3172 44.15576 10.43172       3.927346  20.54103       6.051779  3.076695       5.161957  268.3411 49.77592 126.9749 52.66707 141.3662       72.46697 
1 1 1 23  19 0  o 294.2114 16.95127 20.56867       2.336087  20.47860       6.629724  20.58143       2.496186  282.2807 51.83838 294.0882 18.13231 -11.80753      54.91811 
1 1 1 23  19 1  o 374.0215 14.86930 33.07896       2.616113  34.78003       7.396668  32.83575       2.796895  374.2366 42.78552 372.4928 15.96206 1.743805       45.66605 
1 1 1 23  19 2  o 622.2719 13.12056 91.45412       3.840626  91.34959       9.897671  91.47264       4.167140  613.5946 34.43027 622.1056 14.23983 -8.510986      37.25877 
1 1 1 23  19 3  o 398.7670 14.84955 37.60086       2.785492  35.85018       7.980205  37.84375       2.972446  378.6027 45.73538 399.9121 15.80084 -21.30936      48.38792 
1 1 1 23  19 4  f 420.1159 16.47506 41.78934       3.255859  0.000000       0.000000  41.78934       3.255859  ?        ?        420.1159 16.47506 0.000000       16.47506 
1 1 1 23  19 5  o 85.45846 36.02277 0.2943208      2.474030  0.000000       0.000000  0.2943208      2.474030  ?        ?        85.45846 36.02277 0.000000       36.02277 
1 1 1 23  19 6  o 157.6585 36.07366 6.268266       2.617388  -0.1486029     6.649452  7.444789       2.847243  131.5518 57.30212 172.0070 36.32841 -40.45515      67.84752 
1 1 1 23  19 7  o 154.6761 37.17250 6.054332       2.671095  10.26159       6.724543  5.266148       2.910561  198.2962 63.62307 144.4359 40.95472 53.86032       75.66495 
1 1 1 23  19 8  o 384.3500 19.53088 35.19309       3.519556  30.61831       8.113957  36.25334       3.906166  345.6231 51.47782 389.6189 21.39476 -43.99579      55.74676 
1 1 1 23  19 9  o 151.6406 45.50853 5.818425       3.505395  10.83532       6.937036  4.098121       4.062181  202.3359 64.58907 136.4423 49.31469 65.89359       81.26307 
1 1 1 23  19 10 o 379.5732 21.20574 34.43193       3.771190  48.72176       9.223969  31.56390       4.132345  440.3845 45.16541 362.4401 24.37944 77.94443       51.32515 
1 1 1 23  19 11 o 156.5306 35.65617 6.204545       2.566790  6.330376       3.503531  6.058753       3.771208  157.1621 45.05944 154.4769 47.38352 2.685150       65.38770 
1 1 1 23  19 12 o 288.5582 22.19573 19.99351       2.989703  20.69920       4.053339  19.15150       4.427558  291.2244 30.01831 278.3834 34.55350 12.84100       45.77164 
1 1 1 23  19 13 o 295.2302 22.07560 20.92864       3.043606  13.56809       3.905349  32.31512       4.857350  232.7072 36.90826 364.9452 28.52123 -132.2379      46.64418 
1 1 1 23  19 14 f 206.7518 32.57823 10.63012       3.063564  6.581451       4.170145  15.37714       4.515501  160.1100 49.94585 246.4465 40.34718 -86.33655      64.20656 
1 1 1 23  19 15 o 327.7990 29.20879 26.20578       4.456729  14.90785       8.507811  30.47849       5.232028  229.1328 71.31746 352.5283 31.89597 -123.3955      78.12511 
1 1 1 23  19 16 o 491.5835 23.11315 57.95179       5.344730  43.34126       9.598534  64.51769       6.434566  407.8881 51.15076 516.4626 26.57576 -108.5745      57.64262 
1 1 1 23  19 17 o 208.3137 30.54871 10.77596       2.904562  9.776883       3.752586  12.26897       4.587365  193.9036 42.32881 215.9321 46.53447 -22.02846      62.90617 
1 1 1 23  19 18 o 415.6109 19.37437 41.27132       3.787772  35.02094       4.883346  50.71098       6.001266  378.9204 27.58623 456.0007 28.11455 -77.08032      39.38817 
1 1 1 23  19 19 o 337.8318 21.56569 27.52065       3.409268  30.07036       4.724583  24.75059       4.924494  349.8182 28.97199 314.7259 33.79187 35.09225       44.51142 
1 1 1 23  19 20 o 270.0091 25.17677 17.83214       3.160893  24.15939       4.408595  11.13858       4.534417  312.0282 30.42265 202.5184 48.27957 109.5098       57.06535 
1 1 1 23  19 21 o 405.6067 27.87967 40.53651       5.287089  38.49584       6.318259  45.30322       9.656501  390.3710 34.77134 407.9717 51.46261 -17.60074      62.10835 
1 1 1 23  19 22 o 192.7630 37.23570 9.738422       3.254165  4.842450       4.917336  13.55329       4.340603  141.1477 53.63483 225.0502 42.56079 -83.90251      68.46982 
1 1 1 23  19 23 o 147.6548 43.62688 5.975250       3.240482  10.72533       5.362744  3.243383       4.066929  189.8950 56.12775 122.8629 48.21578 67.03214       73.99383 
1 1 1 23  21 0  o 304.4918 18.43495 22.10033       2.628059  30.35077       7.345061  20.88904       2.814376  346.1427 46.26772 295.5618 20.36682 50.58087       50.55204 
1 1 1 23  21 1  o 121.8805 31.42362 3.726366       1.813145  -0.2778538     6.146492  4.108017       1.897586  125.6074 54.89186 127.8628 31.70540 -2.255356      63.39045 
1 1 1 23  21 2  o 297.9882 16.20915 21.10261       2.263560  25.54103       7.531011  20.66183       2.373298  313.9403 52.87512 294.6592 17.19703 19.28107       55.60140 
1 1 1 23  21 3  o 331.6044 16.37951 26.06080       2.554997  0.000000       0.000000  26.06080       2.554997  ?        ?        331.6044 16.37951 0.000000       16.37951 
1 1 1 23  21 4  o 219.5766 21.29724 11.59011       2.172116  0.000000       0.000000  11.59011       2.172116  ?        ?        219.5766 21.29724 0.000000       21.29724 
1 1 1 23  21 5  o 346.9945 16.41539 28.53878       2.679434  25.85613       7.886251  28.88887       2.848909  314.5150 55.32393 348.9583 17.35544 -34.44336      57.98231 
1 1 1 23  21 6  o 321.6635 17.88006 24.63487       2.694776  37.24733       7.997619  23.01954       2.862144  384.6459 45.05434 310.4990 19.69775 74.14694       49.17209 
1 1 1 23  21 7  o 555.8505 15.20266 73.16208       3.975089  77.97266       10.15709  72.29201       4.319635  562.4589 38.62325 552.1703 16.63048 10.28857       42.05149 
1 1 1 23  21 8  o 69.34338 33.10332 -3.827016      3.018583  -0.1367123     6.741594  -4.752388      3.375901  131.5558 57.48968 71.34187 34.30761 60.21394       66.94830 
1 1 1 23  21 9  o 305.0079 23.12408 22.35397       3.293077  34.21522       8.279458  20.12491       3.589193  365.6498 49.40035 288.2592 26.77531 77.39069       56.18996 
1 1 1 23  21 10 o 326.0846 22.96490 25.53464       3.500107  28.88229       8.273390  24.80488       3.862811  332.1607 54.86565 320.4937 25.84173 11.66708       60.64680 
1 1 1 23  21 11 o 459.8861 19.05367 50.31620       4.121909  49.25684       9.444748  50.56545       4.581215  441.0367 46.21091 460.4155 21.15249 -19.37872      50.82200 
1 1 1 23  21 12 o 278.7634 29.46900 18.98747       3.805713  20.87991       7.926283  18.42049       4.338514  276.3919 62.43741 272.6327 34.60897 3.759155       71.38776 
1 1 1 23  21 13 o 475.6351 18.03705 53.80292       4.035606  58.29370       6.076305  50.25864       5.398116  491.3517 26.38579 456.6507 25.22762 34.70099       36.50538 
1 1 1 23  21 14 o 118.2765 39.03529 3.369227       2.522000  1.737194       3.274348  5.749605       3.954424  107.6085 42.93282 150.6281 48.83775 -43.01965      65.02579 
1 1 1 23  21 15 o 84.94997 36.11483 0.2369455      2.521489  -2.302046      3.166587  4.636253       4.168243  78.46297 36.30952 140.3078 50.04203 -61.84480      61.82706 
1 1 1 23  21 16 o 355.2497 19.74600 30.24499       3.286737  32.87343       4.469341  27.14937       4.850290  367.9609 25.98808 331.7945 31.45198 36.16644       40.79960 
1 1 1 23  21 17 o 218.4243 36.01788 12.11711       3.571726  2.213437       6.429019  16.53856       4.295653  137.4080 58.00299 255.5194 36.79984 -118.1114      68.69188 
1 1 1 23  21 18 o 147.2661 37.87135 5.649191       2.638268  8.086802       3.634397  2.933787       3.835902  174.2039 44.26169 121.6755 47.08218 52.52834       64.62066 
1 1 1 23  21 19 o 270.0152 24.34307 17.80984       3.058707  20.02749       4.169054  15.22456       4.501365  282.8575 31.88940 241.4272 41.10900 41.43027       52.02772 
1 1 1 23  21 20 o 70.33939 33.05791 -2.551408      2.793100  -0.6025565     4.412904  -3.853958      3.607716  102.1637 45.49346 76.84472 36.54588 25.31895       58.35458 
1 1 1 23  21 21 o 347.5881 23.01631 29.49417       3.742011  39.62545       6.266605  23.87970       4.665031  394.9065 34.06748 306.8458 32.82887 88.06070       47.31097 
1 1 1 23  23 0  o 423.0287 14.99137 42.38667       2.983186  39.80381       7.245303  42.91392       3.273546  400.3383 38.96726 425.3675 16.36006 -25.02911      42.26226 
1 1 1 23  23 1  o 235.9208 20.15703 13.34830       2.215508  7.785376       6.512797  14.07630       2.356019  177.2221 62.62193 242.1464 20.88826 -64.92432      66.01382 
1 1 1 23  23 2  o 454.2447 15.12533 48.87173       3.231945  0.000000       0.000000  48.87173       3.231945  ?        ?        454.2447 15.12533 0.000000       15.12533 
1 1 1 23  23 3  o 398.6035 15.57053 37.64641       2.919536  0.000000       0.000000  37.64641       2.919536  ?        ?        398.6035 15.57053 0.000000       15.57053 
1 1 1 23  23 4  o 253.4220 18.16569 15.33303       2.151170  5.618312       6.977304  16.35346       2.261328  164.5213 63.54425 261.6912 18.48882 -97.16982      66.17936 
1 1 1 23  23 5  f 134.4942 29.95640 4.534314       1.846639  8.403687       6.659423  4.211999       1.922012  182.3683 63.40179 129.3392 31.81091 53.02910       70.93462 
1 1 1 23  23 6  o 128.1389 32.02866 4.135798       1.925288  -2.551130      6.444017  4.791206       2.017435  118.0377 53.55452 137.9702 31.74454 -19.93247      62.25594 
1 1 1 23  23 7  o 235.6116 27.75971 13.54091       3.017625  0.000000       0.000000  13.54091       3.017625  ?        ?        235.6116 27.75971 0.000000       27.75971 
1 1 1 23  23 8  o 116.6418 42.15907 2.933779       2.968876  1.675684       6.488333  3.266944       3.338919  137.8723 58.23830 122.9559 44.66813 14.91637       73.39578 
1 1 1 23  23 9  o 227.0215 64.60516 14.23306       7.229224  14.23306       7.229224  0.000000       0.000000  227.0215 64.60516 ?        ?        0.000000       64.60516 
1 1 1 23  23 10 o 305.8317 21.75244 22.45791       3.108987  23.95660       8.105226  22.19936       3.366496  297.6759 59.95637 303.4568 23.77382 -5.780914      64.49776 
1 1 1 23  23 11 o 390.5090 19.50706 36.34727       3.583375  39.77408       8.789193  35.66411       3.924342  393.0376 48.57212 385.6330 21.72178 7.404572       53.20795 
1 1 1 23  23 12 o 186.2047 38.88228 8.886485       3.295806  0.000000       0.000000  8.886485       3.295806  ?        ?        186.2047 38.88228 0.000000       38.88228 
1 1 1 23  23 13 o 129.5517 44.06048 4.050819       3.210462  5.264566       6.918010  3.717675       3.624377  159.3988 62.77911 128.5012 46.56044 30.89767       78.16068 
1 1 1 23  23 14 o 190.9752 40.93331 9.464466       3.566705  9.411416       7.614915  9.479376       4.036903  187.6144 67.56103 189.2979 45.82596 -1.683578      81.63646 
1 1 1 23  23 15 o 306.6021 20.63157 22.61873       2.958305  22.75120       3.993636  22.45766       4.403709  304.5822 28.19349 301.0607 31.56487 3.521545       42.32273 
1 1 1 23  23 16 o 243.0685 27.12530 14.53652       3.048610  16.31071       3.792445  11.29608       5.125325  255.4082 32.28688 202.3121 53.16184 53.09601       62.19827 
1 1 1 23  23 17 o 289.3822 21.45631 20.26231       2.899958  18.47424       4.002851  22.23750       4.207087  271.7003 31.92789 299.2183 30.30798 -27.51794      44.02231 
1 1 1 23  23 18 o 92.70956 39.08549 0.6542184      2.913355  -4.221166      5.826190  2.279733       3.364152  101.9035 47.84492 111.2174 43.78637 -9.313942      64.85663 
1 1 1 23  23 19 o 162.5024 38.31720 7.001009       2.881358  5.053508       4.552991  8.302041       3.721363  141.6178 52.05173 174.1823 45.07258 -32.56445      68.85434 
1 1 1 23  25 0  o 104.1324 36.06357 2.454163       2.153627  2.428657       5.624575  2.458545       2.331291  134.5938 55.31805 105.6800 37.45299 28.91380       66.80429 
1 1 1 23  25 1  o 298.0994 17.90089 21.20296       2.498551  19.52438       6.765125  21.46808       2.688640  270.6735 55.00793 299.6513 19.17480 -28.97775      58.25415 
1 1 1 23  25 2  o 203.8259 25.50684 10.13107       2.392051  0.000000       0.000000  10.13107       2.392051  ?        ?        203.8259 25.50684 0.000000       25.50684 
1 1 1 23  25 3  f 296.7702 17.13355 20.98822       2.381694  26.08205       7.016528  20.32488       2.532026  317.8551 48.46012 291.6998 18.54920 26.15530       51.88888 
1 1 1 23  25 4  o 353.8243 15.70248 29.69196       2.613516  36.97979       7.920951  28.80162       2.768560  381.5274 45.00084 348.2500 16.90026 33.27737       48.06969 
1 1 1 23  25 5  o 153.4218 27.51641 5.838889       1.912898  11.34958       6.188416  5.256724       2.011404  204.2848 60.26936 144.6612 30.51812 59.62360       67.55554 
1 1 1 23  25 6  o 397.1682 17.01778 37.47476       3.179410  29.01605       7.358525  39.41635       3.525473  335.5090 47.99221 406.9803 18.41512 -71.47134      51.40398 
1 1 1 23  25 7  o 276.2579 20.50701 18.31315       2.645919  14.03092       6.215754  19.26083       2.924075  226.9127 58.00932 282.8944 22.15017 -55.98169      62.09437 
1 1 1 23  25 8  o 490.2433 16.85428 57.11196       3.886792  42.68728       7.996095  61.57467       4.447585  411.3667 41.90705 508.4725 18.59463 -97.10574      45.84715 
1 1 1 23  25 9  o 155.6571 37.85564 6.228668       2.745152  8.703924       6.237079  5.633961       3.057193  181.4083 61.41378 147.7719 41.99915 33.63641       74.40149 
1 1 1 23  25 10 f 314.9596 24.05020 23.98665       3.536286  27.78835       7.435430  22.87536       4.020051  325.4467 50.18199 305.9593 28.25082 19.48737       57.58768 
1 1 1 23  25 11 o 94.87189 39.52348 0.7671108      2.925196  -3.635553      6.366741  1.945166       3.293384  111.4626 51.54692 109.1614 43.21301 2.301216       67.26402 
1 1 1 23  25 12 o 231.1795 32.08260 13.33726       3.394848  26.81629       7.342384  9.672203       3.828672  317.8412 50.82073 191.8445 43.43599 125.9966       66.85381 
1 1 1 23  25 13 o 233.3007 26.47766 13.36046       2.854332  19.79786       6.809312  11.98821       3.143873  268.2515 55.78103 218.9930 31.41872 49.25847       64.02077 
1 1 1 23  25 14 o 255.7772 23.52470 15.92035       2.798724  24.96730       7.001998  14.20016       3.053227  304.8732 50.59802 239.9548 27.54906 64.91840       57.61172 
1 1 1 23  25 15 o 207.8911 31.71144 10.89525       3.002958  15.43995       7.179123  9.931444       3.306082  228.4475 64.16199 195.9215 37.23372 32.52597       74.18296 
1 1 1 23  25 16 o 117.1712 41.23223 3.287194       2.820694  0.8305590      3.904403  5.969085       4.079481  105.4544 44.88853 149.7135 49.65771 -44.25903      66.93929 
1 1 1 23  27 0  o 170.2607 29.34093 7.233482       2.265107  12.27705       5.567561  6.233093       2.479594  211.8597 55.28149 156.2436 34.64556 55.61612       65.24077 
1 1 1 23  27 1  o 83.97499 35.18827 0.4571788      2.338149  0.000000       0.000000  0.4571788      2.338149  ?        ?        83.97499 35.18827 0.000000       35.18827 
1 1 1 23  27 2  o 192.2970 26.60469 9.094763       2.342111  7.931035       5.699183  9.331235       2.569075  173.6189 58.70622 194.0444 29.03787 -20.42552      65.49518 
1 1 1 23  27 3  o 318.4005 17.82023 24.21745       2.658334  22.17301       6.251737  24.66869       2.937086  291.6842 47.17410 320.8619 19.55268 -29.17770      51.06568 
1 1 1 23  27 4  o 159.8355 31.30910 6.437080       2.269823  -7.378122      5.207692  9.677131       2.521985  86.70459 41.91842 198.0497 27.83935 -111.3451      50.32080 
1 1 1 23  27 5  o 96.76823 36.88863 1.734574       2.330749  -2.640607      4.943790  2.984934       2.642894  100.3272 46.04292 113.9679 39.92330 -13.64074      60.94112 
1 1 1 23  27 6  o 150.6514 38.76760 5.874030       2.763339  -2.016052      5.181468  9.010108       3.266672  105.6592 47.97065 187.1728 38.38977 -81.51360      61.44069 
1 1 1 23  27 7  o 218.1294 26.39650 11.66958       2.653385  16.77468       5.999123  10.42801       2.958497  249.2198 52.81359 204.1443 31.84759 45.07542       61.67288 
1 1 1 23  27 8  o 327.3427 17.11382 25.58862       2.626080  28.24911       6.438357  25.05767       2.876208  332.0043 42.17687 323.3554 18.99248 8.648895       46.25584 
1 1 1 23  27 9  o 129.6350 33.55759 4.303162       2.062309  1.307372       5.385786  4.817893       2.232461  124.0085 52.75207 136.9186 34.63643 -12.91016      63.10675 
1 1 1 23  27 10 o 157.2397 31.65007 6.278029       2.259998  1.645660       5.714495  7.136907       2.460605  128.3220 54.45425 167.6564 32.37208 -39.33444      63.34995 
1 1 1 23  27 11 o 228.5834 30.69509 13.04662       3.217122  23.14210       7.300670  10.61385       3.583845  289.5010 55.63103 202.2321 39.08730 87.26898       67.98992 
1 1 1 23  27 12 o 230.2171 42.18328 13.91546       4.399874  8.231273       6.456586  18.84364       6.011906  173.6858 62.24598 263.4459 50.34774 -89.76010      80.05908 
1 1 1 23  29 0  o 122.9288 40.84693 3.749871       2.759810  0.000000       0.000000  3.749871       2.759810  ?        ?        122.9288 40.84693 0.000000       40.84693 
1 1 1 23  29 1  o 185.8630 28.80236 8.622704       2.436726  5.755054       5.015875  9.508544       2.787798  151.6976 54.80325 194.2981 31.58663 -42.60046      63.25433 
1 1 1 23  29 2  o 251.0570 22.33823 15.29060       2.610533  14.43817       5.487315  15.53997       2.967911  229.6247 52.00789 252.0151 25.38084 -22.39044      57.87061 
1 1 1 23  29 3  f 78.22034 33.85371 -0.7654822E-01 2.291173  -7.155173      4.747554  2.072642       2.615971  81.21172 39.44556 102.9167 39.11694 -21.70495      55.55256 
1 1 1 23  29 4  o 122.9057 41.42132 3.714460       2.837123  0.4791915      5.212955  5.076064       3.381849  117.2573 50.90649 140.2328 45.13230 -22.97546      68.03231 
1 1 1 23  29 5  o 246.5039 50.41676 16.47741       5.648979  16.47741       5.648979  0.000000       0.000000  246.5039 50.41676 ?        ?        0.000000       50.41676 
1 1 1 23  29 6  o 160.9705 45.26437 6.931143       3.570743  7.847800       5.082138  6.037456       5.018059  169.5383 55.38651 153.7380 54.89887 15.80028       77.98431 
1 1 1 24  0  0  o 555.6030 30.27029 73.42450       7.857680  73.42450       7.857680  73.42450       7.857680  555.6030 30.27029 555.6030 30.27029 0.000000       0.000000 
1 1 1 24  0  1  o 1556.769 35.51204 572.8300       25.97518  572.8300       25.97518  572.8300       25.97518  1556.769 35.51204 1556.769 35.51204 0.000000       0.000000 
1 1 1 24  0  2  o 663.0519 29.87297 104.2806       9.274353  104.2806       9.274353  104.2806       9.274353  663.0519 29.87297 663.0519 29.87297 0.000000       0.000000 
1 1 1 24  0  3  o 1436.970 34.51485 488.1094       23.30005  488.1094       23.30005  488.1094       23.30005  1436.970 34.51485 1436.970 34.51485 0.000000       0.000000 
1 1 1 24  0  4  o 719.7192 30.79661 122.8300       10.38300  122.8300       10.38300  122.8300       10.38300  719.7192 30.79661 719.7192 30.79661 0.000000       0.000000 
1 1 1 24  0  5  o 727.2067 21.48411 124.8769       7.334761  124.8769       7.334761  124.8769       7.334761  727.2067 21.48411 727.2067 21.48411 0.000000       0.000000 
1 1 1 24  0  6  o 816.2740 21.44913 157.2639       8.223122  157.2639       8.223122  157.2639       8.223122  816.2740 21.44913 816.2740 21.44913 0.000000       0.000000 
1 1 1 24  0  7  o 619.7111 23.05459 90.85892       6.699614  90.85892       6.699614  90.85892       6.699614  619.7111 23.05459 619.7111 23.05459 0.000000       0.000000 
1 1 1 24  0  8  o 1158.224 23.00366 316.4791       12.52195  316.4791       12.52195  316.4791       12.52195  1158.224 23.00366 1158.224 23.00366 0.000000       0.000000 
1 1 1 24  0  9  o 336.0975 31.89994 27.37867       4.939030  27.37867       4.939030  27.37867       4.939030  336.0975 31.89994 336.0975 31.89994 0.000000       0.000000 
1 1 1 24  0  10 o 232.9121 48.55240 14.39976       4.689504  14.39976       4.689504  14.39976       4.689504  232.9121 48.55240 232.9121 48.55240 0.000000       0.000000 
1 1 1 24  0  11 o 847.9291 22.98442 169.8926       9.152510  169.8926       9.152510  169.8926       9.152510  847.9291 22.98442 847.9291 22.98442 0.000000       0.000000 
1 1 1 24  0  12 o 613.4467 32.15557 89.71463       9.220804  89.71463       9.220804  89.71463       9.220804  613.4467 32.15557 613.4467 32.15557 0.000000       0.000000 
1 1 1 24  0  13 o 90.75980 55.78612 1.633606       4.611727  1.633606       4.611727  1.633606       4.611727  90.75980 55.78612 90.75980 55.78612 0.000000       0.000000 
1 1 1 24  0  14 o 223.3612 55.19222 13.86419       5.020016  13.86419       5.020016  13.86419       5.020016  223.3612 55.19222 223.3612 55.19222 0.000000       0.000000 
1 1 1 24  0  15 o 686.5417 24.98287 111.8590       8.043997  111.8590       8.043997  111.8590       8.043997  686.5417 24.98287 686.5417 24.98287 0.000000       0.000000 
1 1 1 24  0  16 o 64.17214 44.49165 -3.800805      4.657171  -3.800805      4.657171  -3.800805      4.657171  64.17214 44.49165 64.17214 44.49165 0.000000       0.000000 
1 1 1 24  0  17 o 611.7443 39.98172 90.63615       11.39264  90.63615       11.39264  90.63615       11.39264  611.7443 39.98172 611.7443 39.98172 0.000000       0.000000 
1 1 1 24  0  18 o 102.2877 64.86082 1.379013       6.756870  1.379013       6.756870  1.379013       6.756870  102.2877 64.86082 102.2877 64.86082 0.000000       0.000000 
1 1 1 24  0  19 o 150.5895 69.37656 8.215893       5.398772  8.215893       5.398772  8.215893       5.398772  150.5895 69.37656 150.5895 69.37656 0.000000       0.000000 
1 1 1 24  0  20 o 103.1808 60.56590 3.305049       4.958937  3.305049       4.958937  3.305049       4.958937  103.1808 60.56590 103.1808 60.56590 0.000000       0.000000 
1 1 1 24  0  21 o 120.0342 70.26161 4.815696       6.640238  4.815696       6.640238  4.815696       6.640238  120.0342 70.26161 120.0342 70.26161 0.000000       0.000000 
1 1 1 24  0  22 o 108.0559 62.60175 3.921580       5.187282  3.921580       5.187282  3.921580       5.187282  108.0559 62.60175 108.0559 62.60175 0.000000       0.000000 
1 1 1 24  0  23 o 76.84465 51.02282 -0.8484921     4.903515  -0.8484921     4.903515  -0.8484921     4.903515  76.84465 51.02282 76.84465 51.02282 0.000000       0.000000 
1 1 1 24  0  24 o 304.2811 44.67131 24.06239       5.990275  24.06239       5.990275  24.06239       5.990275  304.2811 44.67131 304.2811 44.67131 0.000000       0.000000 
1 1 1 24  0  25 o 55.77266 39.86573 -6.703092      4.759694  -6.703092      4.759694  -6.703092      4.759694  55.77266 39.86573 55.77266 39.86573 0.000000       0.000000 
1 1 1 24  0  26 o 334.0420 39.78236 28.50464       6.017165  28.50464       6.017165  28.50464       6.017165  334.0420 39.78236 334.0420 39.78236 0.000000       0.000000 
1 1 1 24  0  27 o 113.3570 63.12428 5.004386       4.995158  5.004386       4.995158  5.004386       4.995158  113.3570 63.12428 113.3570 63.12428 0.000000       0.000000 
1 1 1 24  0  28 o 134.5501 75.45367 7.877528       7.196876  7.877528       7.196876  7.877528       7.196876  134.5501 75.45367 134.5501 75.45367 0.000000       0.000000 
1 1 1 24  0  29 o 93.42767 59.95963 1.900714       5.988052  1.900714       5.988052  1.900714       5.988052  93.42767 59.95963 93.42767 59.95963 0.000000       0.000000 
1 1 1 24  0  30 o 121.0521 68.60459 6.596314       6.034316  6.596314       6.034316  6.596314       6.034316  121.0521 68.60459 121.0521 68.60459 0.000000       0.000000 
1 1 1 24  2  0  o 667.4948 18.51872 105.0700       5.814710  120.5113       10.10534  97.42682       7.109618  713.3212 30.11594 642.2393 23.53315 71.08185       38.22014 
1 1 1 24  2  1  o 633.2479 21.50278 94.64834       6.405273  105.2913       9.621519  86.17718       8.583875  666.6934 30.67949 602.4430 30.38787 64.25037       43.18164 
1 1 1 24  2  2  o 1314.834 23.18078 408.2723       14.33733  421.8193       21.19748  396.8490       19.46519  1333.423 33.79456 1293.936 31.97987 39.48730       46.52724 
1 1 1 24  2  3  o 494.8960 18.82019 57.76174       4.381343  54.28062       7.841068  59.34203       5.283032  476.8851 35.20248 501.3383 22.40181 -24.45322      41.72596 
1 1 1 24  2  4  o 957.9600 17.51803 216.3534       7.894090  222.4435       14.26329  213.6642       9.478076  968.8380 31.29674 951.4682 21.17662 17.36981       37.78803 
1 1 1 24  2  5  o 559.5711 18.64010 73.84827       4.906511  73.39478       8.843432  74.04996       5.897457  555.0657 34.03366 559.9956 22.38777 -4.929871      40.73699 
1 1 1 24  2  6  o 713.8375 15.31423 120.0790       5.142375  117.3037       7.187150  122.9901       7.360789  704.8657 21.67609 721.7476 21.68052 -16.88184      30.65776 
1 1 1 24  2  7  o 329.2379 22.02283 25.71332       3.391097  22.28881       4.791155  29.15096       4.800330  304.5092 34.02996 349.5517 29.46860 -45.04251      45.01596 
1 1 1 24  2  8  o 283.4245 24.61641 19.13680       3.249350  22.65092       4.649297  15.78138       4.543094  307.1829 32.67689 254.4489 39.21603 52.73395       51.04582 
1 1 1 24  2  9  o 1100.867 16.13170 285.7485       8.353805  286.4939       11.84087  285.0097       11.78744  1100.930 22.86411 1098.086 22.81992 2.844849       32.30350 
1 1 1 24  2  10 o 631.1270 16.50691 93.94911       4.900630  97.00903       7.059045  91.10231       6.808802  640.4113 23.43245 620.6248 23.32235 19.78656       33.06072 
1 1 1 24  2  11 o 102.7614 43.26045 0.3754379      3.560631  8.519620       5.865828  -4.376214      4.480515  187.3936 59.34818 90.05780 42.17886 97.33578       72.80977 
1 1 1 24  2  12 o 412.0589 30.62084 40.62487       5.892924  44.94650       9.415525  37.84186       7.555759  428.6609 47.49214 394.8545 41.28982 33.80637       62.93133 
1 1 1 24  2  13 o 989.6216 19.22454 231.5744       8.949410  230.3352       11.08985  233.8883       15.15401  985.5361 23.92125 989.6585 32.55165 -4.122437      40.39599 
1 1 1 24  2  14 o 231.5827 33.33396 13.09168       3.526671  8.886728       4.955199  17.40796       5.020373  187.4591 53.53638 265.3983 41.57869 -77.93915      67.78593 
1 1 1 24  2  15 o 580.0025 18.27199 79.61877       4.985227  81.64387       7.137516  77.68984       6.965966  585.4888 25.91548 571.1316 25.92841 14.35718       36.65916 
1 1 1 24  2  16 o 436.0611 24.28621 45.42190       4.961919  41.98367       5.868556  54.04281       9.292666  417.4544 30.08667 468.6297 42.62012 -51.17529      52.16974 
1 1 1 24  2  17 o 397.0719 22.98299 37.67953       4.274485  33.38140       6.171999  41.64132       5.925598  369.3862 35.97686 415.0338 30.56657 -45.64755      47.20858 
1 1 1 24  2  18 o 299.9265 27.65119 21.77516       3.857268  28.97623       5.685611  15.63443       5.250352  343.3358 35.72700 246.9625 46.91005 96.37331       58.96585 
1 1 1 24  2  19 o 371.9416 33.86667 33.95424       5.860468  0.000000       0.000000  33.95424       5.860468  ?        ?        371.9416 33.86667 0.000000       33.86667 
1 1 1 24  2  20 o 192.8620 46.23362 9.748055       4.139950  13.41558       7.055148  7.822006       5.112735  219.6500 64.22391 172.8905 55.47712 46.75945       84.86708 
1 1 1 24  2  21 o 314.1768 27.68776 24.08466       4.050128  29.85549       5.890700  18.91098       5.577606  345.5295 36.80872 269.8905 45.55478 75.63901       58.56723 
1 1 1 24  2  22 o 297.0548 33.81197 22.00948       4.640538  19.89394       5.592062  26.68847       8.316439  276.6963 44.46970 311.1061 58.98623 -34.40976      73.87103 
1 1 1 24  2  23 o 517.1392 20.88135 64.16527       5.079669  62.25468       7.148441  66.11406       7.219561  503.1050 30.34736 518.9908 29.69538 -15.88574      42.45913 
1 1 1 24  2  24 o 189.9760 54.54977 10.07090       5.131260  9.319263       7.120594  10.88288       7.400917  182.8109 65.38406 193.9617 66.87199 -11.15089      93.52506 
1 1 1 24  2  25 o 184.3637 56.31169 9.660309       5.332759  14.90190       7.916628  5.306183       7.215377  219.9480 68.85021 156.0007 63.20539 63.94730       93.46268 
1 1 1 24  2  26 o 122.4198 46.08681 3.396321       3.609891  -3.203666      5.176529  9.644461       5.036658  98.26044 45.79492 183.2384 54.45049 -84.97800      71.14795 
1 1 1 24  2  27 o 486.3501 25.99483 58.38738       5.925565  53.80500       10.25460  60.68446       7.260417  439.5103 50.51840 490.3535 31.64516 -50.84320      59.61145 
1 1 1 24  2  28 o 173.3570 50.33931 8.804260       4.347754  6.025565       7.679770  10.11491       5.274381  153.6465 64.02711 181.9350 56.07516 -28.28845      85.11107 
1 1 1 24  2  29 o 383.8727 33.44428 38.43265       5.978851  33.11534       8.329338  44.08443       8.587307  329.8848 55.65654 392.9349 47.41713 -63.05011      73.11658 
1 1 1 24  2  30 o 93.79485 44.99535 -4.622474      5.726786  -4.622474      5.726786  0.000000       0.000000  93.79485 44.99535 ?        ?        0.000000       44.99535 
1 1 1 24  4  0  o 269.8336 30.66922 17.47026       3.823694  18.91796       6.041232  16.50270       4.938854  277.3075 48.05319 259.9549 41.80556 17.35254       63.69312 
1 1 1 24  4  1  o 901.7257 30.64042 192.6576       12.99686  192.6576       12.99686  0.000000       0.000000  901.7257 30.64042 ?        ?        0.000000       30.64042 
1 1 1 24  4  2  o 533.2390 15.58176 67.00549       3.908478  67.02699       5.621665  66.98538       5.437768  532.7812 22.43090 532.6829 21.70114 0.9826660E-01  31.21033 
1 1 1 24  4  3  o 486.6916 16.21163 55.82735       3.711502  53.25253       5.274159  58.35334       5.223916  474.7846 23.61496 497.1180 22.33919 -22.33334      32.50701 
1 1 1 24  4  4  o 871.1089 17.31634 178.9066       7.095744  173.6920       12.44157  181.4203       8.638400  856.0836 30.89510 876.7211 20.94607 -20.63751      37.32620 
1 1 1 24  4  5  o 685.4566 22.24205 110.9575       7.171731  109.3341       10.52141  112.3662       9.801532  678.7886 32.95111 688.6126 30.25866 -9.823975      44.73659 
1 1 1 24  4  6  o 923.6940 18.00154 201.2265       7.821805  205.4994       14.35270  199.4213       9.328834  930.5043 32.79034 918.9924 21.57974 11.51184       39.25419 
1 1 1 24  4  7  o 624.4644 16.04419 91.92683       4.712971  97.15128       6.833104  87.18625       6.508996  641.2412 22.65309 607.4495 22.77900 33.79175       32.12546 
1 1 1 24  4  8  o 1086.483 16.06276 278.3103       8.209416  297.5622       12.26845  262.7008       11.04710  1121.959 23.24574 1054.407 22.27259 67.55237       32.19368 
1 1 1 24  4  9  o 887.7983 15.81180 185.8450       6.603361  194.7204       9.669988  178.0899       9.039034  907.5626 22.65062 868.0408 22.13669 39.52185       31.67149 
1 1 1 24  4  10 o 428.2846 21.72042 43.47293       4.361605  37.60405       6.881984  47.41277       5.638643  395.1610 37.47083 446.4254 26.97747 -51.26437      46.17192 
1 1 1 24  4  11 o 389.4822 20.86859 35.96614       3.809499  36.72266       5.382800  35.20701       5.392103  392.0458 29.40199 383.6766 30.11808 8.369171       42.09009 
1 1 1 24  4  12 o 289.9810 26.48971 20.12579       3.573498  21.97029       4.982747  18.17236       5.127750  301.0145 35.89749 271.9723 41.38586 29.04214       54.78521 
1 1 1 24  4  13 o 458.0954 19.62678 49.64693       4.229357  46.34770       5.793426  53.41153       6.188532  440.4027 28.11176 472.9366 27.94138 -32.53381      39.63573 
1 1 1 24  4  14 o 237.9854 38.20310 13.97126       4.132107  15.13424       5.251526  12.08086       6.695383  245.2401 47.23589 216.4991 62.35405 28.74095       78.22568 
1 1 1 24  4  15 o 729.8564 19.90989 126.2668       6.835584  132.5172       8.566094  115.3092       11.34194  746.2537 24.40209 691.0776 35.00341 55.17615       42.66967 
1 1 1 24  4  16 o 109.9076 43.26989 1.827448       3.285200  -3.561891      4.497953  7.989584       4.809642  92.68311 43.02544 177.2604 53.33126 -84.57725      68.52307 
1 1 1 24  4  17 o 477.9593 20.07917 54.27802       4.514462  59.00331       6.553081  50.00972       6.228135  495.1349 28.25248 455.3450 29.23135 39.78986       40.65310 
1 1 1 24  4  18 o 335.1508 30.11592 27.30437       4.697259  9.869205       8.126925  36.05085       5.756121  197.2200 69.92448 384.6530 32.10546 -187.4329      76.94279 
1 1 1 24  4  19 o 377.0304 23.44715 34.15310       4.137893  44.76356       6.236379  25.80806       5.530698  428.5505 31.14880 322.2846 37.16232 106.2659       48.49006 
1 1 1 24  4  20 o 322.2224 27.58897 25.26283       4.141449  26.41632       5.947083  24.17675       5.770688  323.9000 39.87428 309.2999 40.64664 14.60007       56.93951 
1 1 1 24  4  21 o 217.0566 38.28801 12.01641       3.766467  14.15974       5.325704  9.871659       5.327473  230.1558 50.57193 190.3876 55.84937 39.76814       75.34369 
1 1 1 24  4  22 o 325.4704 26.23051 25.80885       3.981850  28.34624       5.465885  22.93949       5.812455  336.7899 35.01282 298.4862 42.60579 38.30371       55.14663 
1 1 1 24  4  23 o 250.9859 36.62055 15.99922       4.196261  19.31908       5.279360  10.30321       6.915221  272.9581 42.49961 191.1040 64.66648 81.85410       77.38198 
1 1 1 24  4  24 o 343.1883 26.24576 28.81225       4.204902  25.59214       5.793811  32.39601       6.112216  315.5354 39.92787 357.5702 36.86743 -42.03476      54.34558 
1 1 1 24  4  25 o 147.5947 46.47863 5.814464       3.601718  4.299348       4.861331  7.658211       5.362692  137.9609 53.10918 166.5599 56.94372 -28.59897      77.86637 
1 1 1 24  4  26 o 345.8473 32.09867 30.14343       5.162511  29.29251       9.229710  30.53085       6.227840  311.2092 65.13785 342.5100 39.36995 -31.30084      76.11132 
1 1 1 24  4  27 f 178.6527 46.93425 8.981478       3.995441  2.065398       6.450748  13.28601       5.089123  130.7714 56.70097 215.2218 51.04088 -84.45044      76.29005 
1 1 1 24  4  28 o 219.0153 39.15007 12.93147       3.885408  7.312723       6.536972  16.00079       4.831464  158.1475 61.38799 239.9808 44.43542 -81.83330      75.78253 
1 1 1 24  4  29 o 172.2991 60.64175 9.818669       6.101595  9.818669       6.101595  0.000000       0.000000  172.2991 60.64175 ?        ?        0.000000       60.64175 
1 1 1 24  4  30 o 86.41302 41.80438 -5.436980      5.199399  -5.436980      5.199399  0.000000       0.000000  86.41302 41.80438 ?        ?        0.000000       41.80438 
1 1 1 24  6  0  f 119.9662 41.49564 3.109487       2.850842  14.40844       6.064354  -0.9584871E-01 3.229998  239.8837 54.92568 94.97772 40.63802 144.9060       68.32481 
1 1 1 24  6  1  o 158.7460 39.98647 6.237963       2.984428  7.404875       6.169936  5.881549       3.409874  180.3720 61.08223 155.0262 44.45486 25.34583       75.54650 
1 1 1 24  6  2  o 973.9484 15.76792 223.5681       7.224031  248.1272       15.23786  216.4480       8.204657  1022.847 31.66969 957.9841 18.20677 64.86316       36.53020 
1 1 1 24  6  3  o 464.1598 16.20533 50.78435       3.538301  50.94584       4.946168  50.61509       5.063729  464.4115 22.64105 462.2552 23.36308 2.156281       32.53384 
1 1 1 24  6  4  o 422.0789 17.63765 42.01236       3.501900  35.45051       4.839955  49.22172       5.073138  386.1371 26.81210 455.7607 23.74519 -69.62354      35.81512 
1 1 1 24  6  5  o 551.4066 18.70952 71.73195       4.852928  73.06778       9.299123  71.23197       5.689078  553.1228 35.93452 549.1581 22.02294 3.964661       42.14617 
1 1 1 24  6  6  o 882.8576 17.66721 183.8435       7.337157  192.9251       13.86166  180.3087       8.647957  901.3218 32.69386 873.8136 21.03902 27.50818       38.87838 
1 1 1 24  6  7  o 544.5735 19.55522 70.00464       5.009432  70.06541       9.793303  69.98311       5.829844  540.6234 38.76662 544.1389 22.77602 -3.515503      44.96218 
1 1 1 24  6  8  o 600.9691 15.90944 85.16327       4.497553  82.23943       6.309514  88.18357       6.412745  589.7786 22.74247 610.7794 22.31980 -21.00079      31.86523 
1 1 1 24  6  9  o 302.9529 25.84971 21.89823       3.648583  28.50179       6.139254  18.29226       4.536683  343.2628 38.69578 274.7156 35.97049 68.54718       52.83218 
1 1 1 24  6  10 o 366.7519 20.78868 31.89881       3.571730  32.26313       5.209555  31.57565       4.906440  367.1362 30.43962 363.4833 28.93503 3.652954       41.99770 
1 1 1 24  6  11 o 266.8000 26.62282 17.06152       3.296634  15.69363       4.733788  18.34962       4.593658  252.4291 41.29395 274.6452 36.45732 -22.21608      55.08472 
1 1 1 24  6  12 o 596.3775 17.19715 84.01917       4.824441  86.97327       6.966366  81.29665       6.687742  605.4231 24.46121 585.3686 24.28738 20.05450       34.47068 
1 1 1 24  6  13 o 600.7122 17.49810 85.30598       4.944551  92.38765       7.186601  78.94035       6.813600  623.6335 24.49767 576.3140 25.13322 47.31952       35.09722 
1 1 1 24  6  14 o 514.3607 26.14005 63.18100       6.303951  63.18100       6.303951  0.000000       0.000000  514.3607 26.14005 ?        ?        0.000000       26.14005 
1 1 1 24  6  15 o 427.9699 21.04697 43.48209       4.237134  44.59237       5.804344  42.21544       6.199589  430.7486 28.81190 418.0993 31.75941 12.64923       42.88106 
1 1 1 24  6  16 f 460.8073 20.04885 50.42153       4.345884  50.86896       6.147628  49.97457       6.144391  459.7756 28.56576 455.6103 28.81771 4.165375       40.57663 
1 1 1 24  6  17 o 445.2366 20.69590 47.16149       4.334555  46.84440       6.071290  47.49114       6.190417  440.2529 29.48674 443.1412 29.87099 -2.888245      41.97313 
1 1 1 24  6  18 o 356.8428 23.67320 30.58413       3.951213  30.85439       5.616305  30.31928       5.559842  354.5474 34.09539 351.4495 34.05762 3.097900       48.19147 
1 1 1 24  6  19 o 232.3425 47.76008 14.08621       5.045477  0.000000       0.000000  14.08621       5.045477  ?        ?        232.3425 47.76008 0.000000       47.76008 
1 1 1 24  6  20 o 356.1555 23.54222 30.58138       3.921928  33.19268       5.646023  28.14651       5.451954  366.8768 33.07096 336.7256 34.92775 30.15112       48.10027 
1 1 1 24  6  21 o 511.8421 20.52295 62.68473       4.941345  64.94923       6.840428  60.21354       7.145805  516.3884 28.26763 495.5592 30.80645 20.82916       41.81023 
1 1 1 24  6  22 o 273.5828 33.35289 18.69066       4.203468  16.70386       4.980234  23.61177       7.837966  253.5461 43.31181 291.7228 59.14114 -38.17677      73.30475 
1 1 1 24  6  23 o 426.2755 27.43110 44.41804       5.471302  45.20061       6.403127  42.30083       10.53196  427.0810 32.10719 390.8000 59.13975 36.28094       67.29325 
1 1 1 24  6  24 o 234.0835 36.12606 14.00378       3.849933  7.351612       5.093524  22.86894       5.880036  164.7101 55.50018 295.4329 43.62314 -130.7228      70.59212 
1 1 1 24  6  25 o 121.7203 45.36066 3.351960       3.479738  6.635063       4.913437  0.4831696E-01  4.928784  156.9149 54.46505 110.9680 48.80693 45.94691       73.13383 
1 1 1 24  6  26 o 200.9446 46.20735 11.13017       4.276541  12.75565       6.853330  10.09361       5.472803  203.1490 64.12946 185.3048 57.12126 17.84419       85.88030 
1 1 1 24  6  27 o 119.9984 47.36222 3.042918       3.945294  0.3894174      6.764262  4.411012       4.857009  124.7478 55.87994 135.4959 52.82621 -10.74812      76.89719 
1 1 1 24  6  28 o 94.22093 41.35250 0.1560021      3.521574  -2.807075      5.720817  1.963840       4.468546  102.3229 47.83962 114.4544 48.33784 -12.13150      68.00865 
1 1 1 24  6  29 o 118.5392 47.85842 3.141695       4.121122  2.854638       5.645801  3.469085       6.029386  124.9067 53.59290 130.0384 55.57782 -5.131706      77.20811 
1 1 1 24  6  30 o 148.4508 57.34888 7.187872       5.683995  7.187872       5.683995  0.000000       0.000000  148.4508 57.34888 ?        ?        0.000000       57.34888 
1 1 1 24  8  0  o 270.0125 28.72784 17.46873       3.592810  14.66112       6.874003  18.52398       4.214255  241.0224 60.67199 277.3641 32.94413 -36.34166      69.03916 
1 1 1 24  8  1  o 624.7081 15.61955 91.99435       4.590023  95.71940       9.744024  90.93205       5.203512  634.0097 32.78394 620.8828 17.81630 13.12689       37.31229 
1 1 1 24  8  2  o 874.2292 15.57193 180.1571       6.403788  167.8656       12.47631  184.5536       7.461676  841.0002 31.53703 884.5129 17.93341 -43.51263      36.27935 
1 1 1 24  8  3  o 181.4962 37.57019 8.130878       3.101937  5.225922       6.397513  9.023723       3.546738  165.1507 61.51315 190.8952 40.73814 -25.74455      73.77983 
1 1 1 24  8  4  o 1000.615 15.09746 235.9951       7.106244  234.1423       10.09384  237.8159       10.00622  995.5742 21.55329 1003.425 21.19902 -7.850952      30.23149 
1 1 1 24  8  5  o 262.2571 24.43561 16.40888       2.979827  17.06934       4.214625  15.74874       4.213598  265.7160 34.53521 254.7144 36.18383 11.00166       50.01950 
1 1 1 24  8  6  o 1401.087 17.07644 463.0714       11.25464  467.8406       16.19237  458.6141       15.65419  1406.104 24.48071 1392.366 23.90056 13.73792       34.21318 
1 1 1 24  8  7  o 323.1009 25.35016 24.87055       3.821980  33.23425       7.864686  22.28464       4.373090  369.0188 46.32798 304.7408 30.93505 64.27798       55.70690 
1 1 1 24  8  8  o 554.1290 22.28883 72.63004       5.809883  0.000000       0.000000  72.63004       5.809883  ?        ?        554.1290 22.28883 0.000000       22.28883 
1 1 1 24  8  9  o 516.3881 16.95996 62.94109       4.119744  65.75803       6.011944  60.44726       5.656670  526.8411 24.25861 505.1867 23.80343 21.65433       33.98652 
1 1 1 24  8  10 o 352.4871 21.25467 29.50776       3.507766  35.58515       5.168612  24.31843       4.776070  385.7825 28.68663 317.7061 32.41163 68.07639       43.28322 
1 1 1 24  8  11 o 143.9162 41.70483 5.108874       2.986902  4.953119       4.321794  5.251304       4.132777  148.1767 51.10064 149.9914 49.99210 -1.814728      71.48766 
1 1 1 24  8  12 o 454.0247 18.67571 48.76637       3.988650  58.39771       5.897742  40.64791       5.414762  494.9923 25.41469 412.0905 28.10066 82.90186       37.88869 
1 1 1 24  8  13 o 587.7013 19.71903 81.82619       5.451443  88.83628       6.842993  69.64923       9.018903  611.3549 23.79487 536.6306 35.93566 74.72437       43.09951 
1 1 1 24  8  14 o 186.1964 39.16116 8.706939       3.321267  7.535781       4.610665  9.970095       4.788333  172.8964 52.26106 196.9678 51.20493 -24.07140      73.16531 
1 1 1 24  8  15 o 596.4708 20.78957 84.51900       5.833161  83.71638       7.046631  86.26636       10.39721  592.2203 25.29467 595.0099 37.33615 -2.789673      45.09777 
1 1 1 24  8  16 o 452.4325 20.37498 48.66359       4.336309  50.36155       6.162434  46.99826       6.102934  456.9835 28.81456 441.1042 29.58359 15.87933       41.29731 
1 1 1 24  8  17 o 113.3956 43.53667 2.316545       3.261079  4.437357       4.660644  0.2822579      4.564581  143.0234 52.64912 112.3307 48.19260 30.69270       71.37547 
1 1 1 24  8  18 o 421.4192 23.57203 42.64940       4.654104  54.36980       7.932525  36.49706       5.747254  469.6910 36.18151 386.3962 31.90511 83.29483       48.23938 
1 1 1 24  8  19 o 392.0446 22.08749 36.89392       4.056750  39.02840       5.712916  34.72290       5.761616  399.6197 30.62379 375.7046 32.93321 23.91516       44.97124 
1 1 1 24  8  20 o 132.0051 49.63242 3.703746       4.184126  8.011297       8.507931  2.329571       4.805402  182.0829 70.21307 126.3393 51.43568 55.74358       87.03738 
1 1 1 24  8  21 f 124.9751 45.48283 3.504344       3.464056  7.272833       4.635989  -1.259387      5.212336  165.7411 52.78991 109.3776 49.01969 56.36351       72.03960 
1 1 1 24  8  22 o 197.3346 41.20704 10.15569       3.701643  7.518046       4.931552  13.55947       5.602164  167.6570 54.54947 222.0819 54.12061 -54.42487      76.84194 
1 1 1 24  8  23 o 355.8442 25.02325 30.82191       4.161988  29.48067       5.656793  32.40486       6.145398  342.1411 35.67216 357.9525 37.03235 -15.81140      51.41885 
1 1 1 24  8  24 o 284.5107 65.35873 23.96255       8.563246  0.000000       0.000000  23.96255       8.563246  ?        ?        284.5107 65.35873 0.000000       65.35873 
1 1 1 24  8  25 o 265.5529 34.00476 17.94740       4.150192  15.82640       6.390913  19.49408       5.457506  232.7662 58.45039 270.0752 44.50837 -37.30901      73.46729 
1 1 1 24  8  26 o 114.5762 45.29216 2.578687       3.613154  10.40428       6.214129  -1.418189      4.441012  185.2329 61.28061 97.37445 44.28692 87.85843       75.60849 
1 1 1 24  8  27 o 264.2920 45.86946 19.36914       5.495839  0.000000       0.000000  19.36914       5.495839  ?        ?        264.2920 45.86946 0.000000       45.86946 
1 1 1 24  8  28 o 95.55749 42.49479 -0.1298601     3.837101  -2.065696      5.316947  1.974138       5.543076  100.9879 46.84459 121.2501 52.56667 -20.26225      70.41073 
1 1 1 24  8  29 o 68.47797 33.67092 -6.396680      3.784701  -7.309752      5.267269  -5.422117      5.441744  82.61447 40.43574 89.39328 43.12646 -6.778809      59.11803 
1 1 1 24  10 0  o 189.6497 31.02914 8.761034       2.672405  -2.526457      5.729573  11.89938       3.021162  113.8583 51.18376 221.9879 29.67453 -108.1296      59.16380 
1 1 1 24  10 1  o 83.40521 36.46070 -0.5580338     2.713753  10.07134       6.151756  -3.126292      3.023879  201.5912 60.23914 73.44525 34.47874 128.1460       69.40849 
1 1 1 24  10 2  o 610.9442 15.85685 88.02111       4.557093  105.8264       10.24617  83.63049       5.088031  667.0544 32.65359 595.2668 18.17058 71.78766       37.36880 
1 1 1 24  10 3  o 198.2672 35.42156 9.640946       3.182374  9.904876       6.920412  9.570167       3.583775  202.0045 64.51463 196.6059 40.10889 5.398621       75.96617 
1 1 1 24  10 4  o 482.4193 18.44081 54.94085       4.184793  47.85970       8.610825  57.13050       4.788294  445.0805 41.61073 491.7025 20.70184 -46.62204      46.47601 
1 1 1 24  10 5  o 277.6711 22.73539 18.36004       2.943596  18.84671       4.226872  17.90178       4.101696  279.5413 32.76581 272.3695 32.66532 7.171844       46.26685 
1 1 1 24  10 6  o 572.6731 17.02878 77.40049       4.587326  79.87515       7.488966  75.91435       5.803538  580.1708 27.44079 566.5322 21.77704 13.63867       35.03194 
1 1 1 24  10 7  o 626.2511 20.02880 92.70988       5.900281  96.64091       8.175385  88.43639       8.524049  638.0286 27.23948 609.8080 29.71553 28.22052       40.31131 
1 1 1 24  10 8  o 473.5479 21.30411 53.06792       4.745659  57.22355       10.51936  52.00603       5.317531  484.0703 46.77983 467.7515 24.25038 16.31873       52.69187 
1 1 1 24  10 9  o 510.5843 20.35770 61.68885       4.889511  78.06184       10.46354  57.11487       5.530470  568.4056 39.37632 490.7202 23.95845 77.68542       46.09232 
1 1 1 24  10 10 o 201.0074 32.75335 9.901857       2.990314  10.59795       4.225736  9.203645       4.232157  205.2151 45.01304 190.7733 47.37594 14.44189       65.35023 
1 1 1 24  10 11 o 379.4816 19.95455 34.19902       3.549556  40.06239       5.154139  28.90934       4.895504  409.2705 26.92199 346.5455 30.33640 62.72501       40.55972 
1 1 1 24  10 12 o 130.5258 44.18241 3.915961       3.228106  3.853427       3.944366  4.042807       5.617659  134.7678 48.61198 148.6397 57.12413 -13.87195      75.00861 
1 1 1 24  10 13 o 159.5616 40.55276 6.429384       3.050220  5.756843       4.117393  7.247418       4.540972  153.8327 49.82948 169.8371 51.97834 -16.00441      72.00503 
1 1 1 24  10 14 o 355.1640 22.35641 30.12999       3.716022  30.69777       5.032335  29.44914       5.510676  356.2523 30.31740 347.6034 34.14228 8.648926       45.66005 
1 1 1 24  10 15 o 493.4020 18.68426 57.77647       4.336567  59.79119       6.050298  55.64795       6.218839  499.2575 25.85077 480.9430 27.60382 18.31454       37.81842 
1 1 1 24  10 16 o 214.8687 39.99702 11.67452       3.893917  13.56907       4.658269  7.280024       7.094571  230.3238 44.60638 176.5214 64.96118 53.80240       78.80155 
1 1 1 24  10 17 o 195.6129 41.68577 9.813139       3.718451  9.827587       5.664736  9.802200       4.929051  192.1706 57.89198 192.4461 52.83781 -0.2755585     78.37930 
1 1 1 24  10 18 o 86.77801 38.82197 -1.089397      3.253761  -2.831709      4.719727  0.4886666      4.491757  97.42562 44.81314 112.0196 47.92592 -14.59397      65.61335 
1 1 1 24  10 19 o 116.4864 44.32813 2.648548       3.361966  6.416508       4.780247  -1.039431      4.729240  158.9661 53.76535 105.7094 47.08237 53.25667       71.46651 
1 1 1 24  10 20 o 236.7282 33.30191 13.99774       3.605886  8.074669       4.755545  22.00938       5.530793  173.8267 53.19103 293.7964 41.14834 -119.9697      67.24932 
1 1 1 24  10 21 o 328.4307 25.83587 26.24236       3.959275  28.75744       5.536403  23.60972       5.664310  339.2406 35.20640 304.1657 40.60208 35.07486       53.74030 
1 1 1 24  10 22 o 344.7109 25.33282 28.91564       4.079009  30.51619       5.756880  27.30200       5.780370  348.6549 35.60065 328.0977 38.16585 20.55719       52.19232 
1 1 1 24  10 23 o 266.3453 31.64435 17.73244       3.887123  23.76172       5.684167  12.43588       5.327586  303.2841 40.88446 211.3258 53.53230 91.95828       67.35909 
1 1 1 24  10 24 o 187.7799 45.32630 9.560556       3.958138  7.913199       5.995524  10.83322       5.269749  169.2060 60.05203 195.0539 55.03776 -25.84785      81.45798 
1 1 1 24  10 25 o 198.3360 52.18005 11.21205       4.933890  19.48573       6.579669  0.5829370      7.457669  260.6845 55.36607 132.4505 59.04866 128.2339       80.94533 
1 1 1 24  10 26 o 100.6490 42.98669 0.8226496      3.602360  6.786564       6.006066  -2.528331      4.502050  156.6254 59.33347 92.64374 43.02004 63.98163       73.28837 
1 1 1 24  10 27 f 108.6158 50.00788 -1.624554      5.896403  0.000000       0.000000  -1.624554      5.896403  ?        ?        108.6158 50.00788 0.000000       50.00788 
1 1 1 24  10 28 o 198.7011 59.60067 12.97563       6.013634  0.000000       0.000000  12.97563       6.013634  ?        ?        198.7011 59.60067 0.000000       59.60067 
1 1 1 24  12 0  o 529.0818 14.25543 66.01092       3.547908  63.10940       8.163499  66.68658       3.939403  513.1256 34.01361 531.6298 15.75258 -18.50421      37.48425 
1 1 1 24  12 1  o 329.6596 19.73647 25.77827       3.046510  28.90607       6.948028  25.03380       3.389737  343.7735 43.97319 324.4573 22.34576 19.31622       49.32519 
1 1 1 24  12 2  o 130.8723 40.42967 4.111269       2.739979  4.658145       5.870202  3.958936       3.098179  156.4594 58.79573 130.9656 43.26717 25.49377       72.99990 
1 1 1 24  12 3  o 94.79285 39.10881 0.6790854      2.824610  -1.367420      5.987729  1.264850       3.203444  121.6935 53.64923 104.9370 42.25516 16.75648       68.29157 
1 1 1 24  12 4  o 356.0562 21.49639 30.11038       3.583539  36.95006       7.722044  28.23313       4.045536  389.4033 42.86631 344.1060 25.16736 45.29730       49.70831 
1 1 1 24  12 5  o 578.1603 16.83171 78.93079       4.577684  106.8668       10.46919  72.32714       5.090056  668.9271 33.27093 553.0649 19.56488 115.8622       38.59714 
1 1 1 24  12 6  o 316.9921 29.54573 24.13413       4.354914  0.000000       0.000000  24.13413       4.354914  ?        ?        316.9921 29.54573 0.000000       29.54573 
1 1 1 24  12 7  o 768.9624 16.43667 139.6546       5.945499  148.5434       9.894761  134.6318       7.437972  790.4023 26.61263 754.0264 20.97001 36.37598       33.88176 
1 1 1 24  12 8  o 838.5331 15.20181 166.0065       5.996319  178.7089       8.815371  155.0683       8.180342  868.3571 21.58107 808.9088 21.49822 59.44824       30.46172 
1 1 1 24  12 9  o 389.2275 23.36848 36.10109       4.258804  24.36980       8.272442  40.33155       4.967698  308.1121 59.22781 410.9028 25.83228 -102.7907      64.61610 
1 1 1 24  12 10 o 276.3568 31.18277 18.51217       3.982843  23.86742       8.227850  16.87329       4.551664  304.0375 59.66009 261.7674 38.08098 42.27011       70.77773 
1 1 1 24  12 11 o 318.8492 22.18574 24.26637       3.306851  26.27742       4.610798  22.13630       4.745288  329.9205 30.03870 301.4357 34.06322 28.48474       45.41615 
1 1 1 24  12 12 o 150.3376 40.18882 5.698562       2.896840  3.552763       3.994576  8.078864       4.207190  131.9289 48.71191 177.7327 48.82291 -45.80379      68.96758 
1 1 1 24  12 13 o 562.7083 30.97247 76.42688       8.166821  76.42688       8.166821  0.000000       0.000000  562.7083 30.97247 ?        ?        0.000000       30.97247 
1 1 1 24  12 14 o 772.0964 19.08920 141.5732       6.933118  136.4993       8.470411  151.8728       12.06826  756.1135 23.81487 792.5704 32.36962 -36.45697      40.18632 
1 1 1 24  12 15 o 497.6744 18.64586 58.84608       4.365129  58.83428       6.143994  58.85810       6.202876  494.4276 26.51336 494.4190 26.77008 0.8636475E-02  37.67752 
1 1 1 24  12 16 o 131.9874 44.80979 4.146558       3.320531  -0.4714626     4.899755  8.068851       4.515610  111.3677 48.83027 175.6434 51.38784 -64.27563      70.88798 
1 1 1 24  12 17 o 275.9917 31.23773 18.72848       3.984097  18.86068       4.695897  18.38882       7.526793  274.5081 37.33441 258.1761 62.61910 16.33197       72.90411 
1 1 1 24  12 18 o 367.7365 23.19919 32.55964       3.992518  32.92182       5.507012  32.15835       5.796664  365.8621 32.33122 360.4295 34.61491 5.432587       47.36559 
1 1 1 24  12 19 o 237.0538 33.07162 14.00802       3.587397  10.96240       4.980361  17.29221       5.171740  201.7350 52.11327 258.6855 44.08104 -56.95045      68.25637 
1 1 1 24  12 20 o 206.0778 42.63264 11.06497       3.996457  13.73058       4.969167  6.183116       6.724761  227.5526 47.93641 163.4274 62.57296 64.12521       78.82433 
1 1 1 24  12 21 o 375.2025 38.01105 35.52517       6.616214  26.63496       8.839740  46.84899       9.976543  306.6058 63.38420 420.0945 51.56803 -113.4887      81.71181 
1 1 1 24  12 22 o 247.5513 32.66010 15.37542       3.710368  13.70100       5.011533  17.40663       5.519703  225.3082 48.70494 255.3252 47.71147 -30.01706      68.18032 
1 1 1 24  12 23 f 454.7647 24.22478 50.29966       5.163542  43.69798       8.003548  55.00662       6.758117  410.4918 42.04163 471.0244 30.66814 -60.53256      52.03876 
1 1 1 24  12 24 o 165.3409 47.19608 7.523505       3.852001  6.697385       6.091195  8.074057       4.972561  159.3235 59.88827 169.1525 54.75693 -9.829025      81.14756 
1 1 1 24  12 25 o 188.8155 46.09416 9.903625       4.058320  16.11177       6.521780  5.980618       5.184355  231.3029 59.57631 149.7744 55.45570 81.52856       81.39208 
1 1 1 24  12 26 o 170.4829 47.83387 8.323130       3.992219  6.313912       5.637129  10.34483       5.654612  151.1140 57.42526 183.2980 58.29318 -32.18398      81.82760 
1 1 1 24  12 27 o 143.0391 49.34305 5.854590       4.029752  6.099882       5.665640  5.603449       5.732813  146.9787 57.12325 143.7633 56.98088 3.215393       80.68386 
1 1 1 24  14 0  o 228.4522 21.88372 12.48170       2.322944  15.89774       6.520704  11.98517       2.486044  248.9242 56.92513 223.4343 24.03098 25.48987       61.78963 
1 1 1 24  14 1  o 283.6233 19.00156 19.11469       2.520472  26.07610       6.838820  18.02048       2.711332  324.5423 46.09121 275.0134 21.11975 49.52890       50.69954 
1 1 1 24  14 2  o 175.3312 33.33663 7.593275       2.648985  0.5083235      6.196584  9.177568       2.930230  132.6446 56.50844 193.1644 33.46025 -60.51979      65.67186 
1 1 1 24  14 3  o 624.7976 15.44334 92.17648       4.538893  79.34008       9.402387  96.07674       5.182778  574.0416 34.98673 637.5649 17.28100 -63.52325      39.02185 
1 1 1 24  14 4  o 272.1613 24.77813 17.74259       3.137484  21.43579       7.162590  16.86569       3.490139  290.6316 54.39037 264.5097 28.49996 26.12192       61.40488 
1 1 1 24  14 5  o 312.9718 26.11246 23.46725       3.809241  0.000000       0.000000  23.46725       3.809241  ?        ?        312.9718 26.11246 0.000000       26.11246 
1 1 1 24  14 6  o 329.1018 25.84754 25.93434       3.969270  0.000000       0.000000  25.93434       3.969270  ?        ?        329.1018 25.84754 0.000000       25.84754 
1 1 1 24  14 7  o 210.0224 37.82686 10.95453       3.599655  -3.014269      7.124049  15.74360       4.171317  125.2505 56.61665 253.2970 36.02356 -128.0465      67.10545 
1 1 1 24  14 8  o 431.9108 17.53322 44.14477       3.562255  47.87551       5.115588  40.63266       4.963435  447.8833 24.37244 412.1605 25.72899 35.72275       35.44004 
1 1 1 24  14 9  o 447.1771 17.25886 47.32853       3.630454  47.55539       5.146720  47.10385       5.121844  446.1542 24.61842 444.0251 24.61803 2.129120       34.81543 
1 1 1 24  14 10 o 322.2384 26.81419 24.98040       4.027635  28.13615       8.589122  24.09090       4.560072  330.0703 57.40308 315.1776 31.16557 14.89273       65.31773 
1 1 1 24  14 11 o 494.8342 21.66566 58.24408       5.043139  61.47444       10.00774  57.14455       5.838668  498.5825 43.09434 488.4566 25.49925 10.12592       50.07328 
1 1 1 24  14 12 o 155.4978 38.74712 6.132531       2.823935  3.473623       3.904957  9.047503       4.088668  129.9844 48.12886 187.3770 46.58582 -57.39261      66.98228 
1 1 1 24  14 13 o 427.9826 18.90432 43.51379       3.805892  41.30590       5.363108  45.75364       5.401789  413.7636 27.71485 436.0358 26.46093 -22.27216      38.31833 
1 1 1 24  14 14 o 443.9601 18.59207 46.84353       3.882763  47.34895       5.353901  46.28279       5.639323  443.5355 25.77206 437.7998 27.52315 5.735748       37.70574 
1 1 1 24  14 15 o 187.7405 41.72235 9.063394       3.589042  6.281082       4.172959  16.97087       7.034935  157.1985 50.08594 249.7550 60.51511 -92.55647      78.55368 
1 1 1 24  14 16 o 355.5801 28.34720 30.74018       4.702116  28.23722       9.292095  31.60173       5.451643  320.7917 63.82289 358.6771 32.66951 -37.88547      71.69838 
1 1 1 24  14 17 o 592.2993 17.74332 83.45903       4.943624  83.64761       6.866201  83.25604       7.123580  589.8160 24.74746 587.8992 25.75883 1.916870       35.72050 
1 1 1 24  14 18 o 326.0326 27.52652 25.89087       4.182175  25.72445       4.853939  26.37039       8.239437  322.8786 32.39529 311.7814 58.32354 11.09717       66.71649 
1 1 1 24  14 19 o 142.7991 45.25505 5.205746       3.410303  3.809180       4.140638  8.151011       6.013104  132.4045 49.45374 175.6868 60.29369 -43.28236      77.98078 
1 1 1 24  14 20 o 350.2478 23.73654 29.68671       3.887679  30.43714       5.307352  28.81786       5.710806  350.4193 32.57008 338.7722 36.40733 11.64719       48.84980 
1 1 1 24  14 21 o 172.1869 49.22751 8.018179       4.187352  10.13674       5.522001  5.151606       6.423285  190.4251 57.11114 153.6649 60.50167 36.76022       83.19937 
1 1 1 24  14 22 o 85.34784 40.22042 -3.757420      4.185042  -18.36207      7.680709  2.409460       4.991011  88.01019 44.04460 126.1594 52.01057 -38.14919      68.15443 
1 1 1 24  14 23 o 161.9780 46.06090 7.153645       3.676115  8.623663       5.771364  6.150071       4.768610  174.1138 59.07582 152.2406 53.60699 21.87317       79.77256 
1 1 1 24  14 24 o 138.4389 47.48804 5.059213       3.729911  11.47146       5.787292  0.5032194      4.878224  196.1682 58.38410 111.8533 48.89094 84.31488       76.15134 
1 1 1 24  14 25 o 119.2610 43.95653 3.437371       3.250142  4.872176       5.357659  2.601895       4.088327  140.7502 55.30695 117.4734 47.58356 23.27677       72.95926 
1 1 1 24  14 26 o 363.5002 41.63444 35.85018       6.990742  35.85018       6.990742  0.000000       0.000000  363.5002 41.63444 ?        ?        0.000000       41.63444 
1 1 1 24  16 0  o 189.7430 22.86759 8.678014       1.999936  -0.3400714     5.854910  9.869222       2.127927  123.9753 53.88662 202.5438 22.72616 -78.56847      58.48287 
1 1 1 24  16 1  o 386.5875 15.26319 35.31750       2.775635  38.49584       7.535379  34.81857       2.985554  395.9260 41.05647 383.6891 16.54155 12.23691       44.26348 
1 1 1 24  16 2  o 218.7696 23.40848 11.50746       2.371578  7.063021       6.638685  12.15762       2.539125  175.9844 63.11258 224.7207 24.41262 -48.73628      67.66959 
1 1 1 24  16 3  o 203.8901 26.66706 10.08082       2.496356  6.813318       6.070744  10.74578       2.738613  171.5002 60.47447 210.2000 28.42589 -38.69981      66.82211 
1 1 1 24  16 4  o 227.0988 30.40573 12.56953       3.166643  0.000000       0.000000  12.56953       3.166643  ?        ?        227.0988 30.40573 0.000000       30.40573 
1 1 1 24  16 5  o 212.2540 37.02168 11.19467       3.561993  23.28181       8.377740  8.527493       3.935417  298.1326 61.76839 182.8748 45.83683 115.2578       76.91781 
1 1 1 24  16 6  o 598.1237 16.75405 84.66501       4.713899  89.20928       10.86157  83.61044       5.232352  605.0178 38.36261 593.9309 18.72801 11.08691       42.68991 
1 1 1 24  16 7  o 80.37649 36.17395 -1.286338      2.871520  0.3686088      7.097367  -1.610265      3.139994  138.6468 59.79517 82.72242 37.47244 55.92437       70.56661 
1 1 1 24  16 8  o 430.1107 19.40572 43.90434       3.926262  51.07016       9.261297  42.33425       4.335111  453.7591 43.93911 421.2720 21.95199 32.48706       49.11757 
1 1 1 24  16 9  o 320.8430 25.41448 24.75201       3.804301  23.94216       4.580973  26.55173       6.828970  313.7040 31.46749 324.7540 45.98788 -11.04996      55.72332 
1 1 1 24  16 10 o 96.86445 40.40687 0.6538197      3.063161  1.213230       3.868074  -0.2870095     5.016315  111.0088 45.77860 114.3732 49.79599 -3.364456      67.64112 
1 1 1 24  16 11 o 207.6886 38.62062 10.87032       3.634251  14.90488       7.906121  9.789418       4.092225  233.2556 67.92539 194.8029 45.48330 38.45273       81.74711 
1 1 1 24  16 12 f 305.6953 27.57826 22.64804       3.923045  18.57610       7.980648  23.94551       4.504907  260.2149 65.30235 313.2156 30.98170 -53.00073      72.27907 
1 1 1 24  16 13 o 398.2075 19.10361 37.72520       3.578444  40.35125       4.944744  34.83757       5.185182  409.1533 25.82394 378.7093 29.33529 30.44400       39.08241 
1 1 1 24  16 14 o 635.8378 24.24897 96.94385       7.252854  0.000000       0.000000  96.94385       7.252854  ?        ?        635.8378 24.24897 0.000000       24.24897 
1 1 1 24  16 15 o 449.4382 18.27724 48.05828       3.864114  49.44837       5.247898  46.41217       5.710760  453.1247 24.71393 437.5544 27.89082 15.57025       37.26494 
1 1 1 24  16 16 o 135.5816 42.22011 4.625244       2.981301  7.177166       4.037234  1.564718       4.421282  165.6227 48.62786 118.0954 48.84324 47.52728       68.92265 
1 1 1 24  16 17 o 135.7622 42.01694 4.662728       2.957814  2.549632       3.806949  7.881069       4.698222  119.5051 46.71961 172.4969 52.88371 -52.99180      70.56493 
1 1 1 24  16 18 o 80.77535 37.08115 -1.966146      3.209862  -1.512121      3.783069  -3.133175      6.065200  91.35939 41.28081 110.4072 50.79037 -19.04778      65.45049 
1 1 1 24  16 19 o 89.92580 38.98962 -0.7546602E-01 3.050010  -1.215470      3.974869  1.556813       4.756274  95.18214 42.72190 120.1281 50.25117 -24.94598      65.95712 
1 1 1 24  16 20 o 181.9983 38.38953 8.594674       3.183204  10.13203       4.283493  6.698550       4.757128  194.0556 47.34480 159.4262 53.63657 34.62938       71.54308 
1 1 1 24  16 21 o 146.2303 42.94128 5.652494       3.147976  5.872358       4.231838  5.380099       4.710325  149.7672 50.58766 146.7557 53.09399 3.011566       73.33541 
1 1 1 24  16 22 o 209.4685 39.09086 11.49473       3.710122  8.980381       5.765761  13.27152       4.846872  177.2433 59.04721 220.0850 48.15534 -42.84171      76.19389 
1 1 1 24  16 23 o 253.0350 43.63864 17.19988       5.006609  0.000000       0.000000  17.19988       5.006609  ?        ?        253.0350 43.63864 0.000000       43.63864 
1 1 1 24  16 24 f 132.4940 44.33176 4.678744       3.249595  15.80262       5.566121  -1.073265      4.002528  234.3122 51.87009 93.68882 42.38564 140.6234       66.98544 
1 1 1 24  16 25 o 121.3148 46.48740 3.496951       3.713632  2.670928       5.343356  4.268728       5.164926  125.0351 52.83506 134.1901 53.78800 -9.154930      75.39690 
1 1 1 24  18 0  o 60.02871 27.57840 -1.267441      1.780185  -4.444115      5.777703  -0.9342353     1.871220  104.4779 48.58839 64.42805 29.07955 40.04983       56.62554 
1 1 1 24  18 1  o 421.4219 14.54583 41.99314       2.883532  35.46374       7.596305  43.09238       3.116820  377.2489 43.60984 426.7445 15.52653 -49.49567      46.29137 
1 1 1 24  18 2  o 406.8224 16.11045 39.18031       3.083059  30.82640       7.613307  40.81900       3.371910  349.6228 47.52333 415.0424 17.27087 -65.41968      50.56432 
1 1 1 24  18 3  o 377.9521 17.81112 33.86678       3.166629  0.000000       0.000000  33.86678       3.166629  ?        ?        377.9521 17.81112 0.000000       17.81112 
1 1 1 24  18 4  o 878.3867 14.80497 182.4878       6.117339  197.2949       15.93362  179.9279       6.625059  899.7491 37.64643 871.7414 16.15596 28.00769       40.96668 
1 1 1 24  18 5  o 153.1232 38.15270 5.939980       2.738095  5.490488       7.013705  6.020803       2.974093  165.3873 63.75697 153.9572 40.51608 11.43008       75.54140 
1 1 1 24  18 6  o 391.3280 18.81192 36.35794       3.462928  43.13318       8.394647  34.96857       3.801446  415.9351 43.55066 382.7324 21.19737 33.20267       48.43540 
1 1 1 24  18 7  o 118.3653 41.20038 3.157728       2.812541  5.541023       6.796957  2.665338       3.089447  164.0346 62.88352 115.3386 42.78876 48.69604       76.06061 
1 1 1 24  18 8  o 227.9276 29.56666 12.71338       3.095382  17.97860       7.637997  11.67871       3.385888  257.5107 63.46277 216.8496 34.33659 40.66110       72.15625 
1 1 1 24  18 9  o 214.3151 37.78073 11.54500       3.669655  16.87574       7.128914  9.623287       4.280298  249.9915 61.13076 192.3777 47.56668 57.61377       77.45683 
1 1 1 24  18 10 o 173.9852 42.68156 7.793538       3.466805  -8.617718      6.913120  13.30734       4.007088  102.9025 49.38360 230.0840 38.37479 -127.1815      62.54090 
1 1 1 24  18 11 o 109.2126 38.92277 2.597192       2.521238  5.073863       3.507301  -0.5117924E-01 3.626840  142.8924 45.95900 98.77023 42.67062 44.12215       62.71373 
1 1 1 24  18 12 o 403.9914 18.31938 38.80565       3.481386  39.41201       4.819954  38.14428       5.033855  404.3586 25.47018 397.1398 27.10756 7.218811       37.19610 
1 1 1 24  18 13 o 199.4461 41.54842 10.21354       3.771523  0.6266350      7.308029  13.69383       4.403202  138.8958 60.28740 231.5577 41.96951 -92.66193      73.45754 
1 1 1 24  18 14 o 127.1897 43.15848 3.855811       3.080291  10.88288       4.471758  -2.489014      4.249141  203.6038 47.55084 93.08607 42.70724 110.5177       63.91394 
1 1 1 24  18 15 o 218.8577 29.59482 11.81186       2.968677  9.411550       3.867054  15.25654       4.632565  190.0047 44.11343 244.2418 41.82537 -54.23711      60.78944 
1 1 1 24  18 16 o 328.8548 21.81486 26.00707       3.355471  27.08728       4.468478  24.61040       5.081024  332.9769 28.81225 314.5435 34.92997 18.43338       45.27967 
1 1 1 24  18 17 o 434.8009 21.57342 45.31087       4.412439  41.54437       5.195823  55.05351       8.356483  413.4306 26.86234 468.7314 38.23224 -55.30078      46.72569 
1 1 1 24  18 18 o 223.7605 30.68396 12.45924       3.144660  11.48066       4.142184  13.79055       4.831386  209.1942 43.51081 228.2152 46.58114 -19.02104      63.74162 
1 1 1 24  18 19 o 158.9226 44.89769 6.715936       3.504614  8.626538       3.938481  -0.5508324     7.680938  179.2316 46.36372 133.1497 59.60166 46.08186       75.51127 
1 1 1 24  18 20 o 409.8112 19.38827 40.27757       3.737595  42.74670       5.144680  37.51773       5.439115  418.0869 26.29301 389.3893 29.92337 28.69760       39.83378 
1 1 1 24  18 21 o 430.1404 21.89911 44.82933       4.416390  47.29489       6.836186  43.06321       5.785835  433.2709 33.80933 416.4808 29.72789 16.79010       45.02020 
1 1 1 24  18 22 o 148.4000 43.18174 5.973590       3.196306  5.722355       5.175959  6.128453       4.063714  148.4367 55.32136 149.7640 49.55624 -1.327332      74.27162 
1 1 1 24  18 23 f 168.5393 40.93002 7.740646       3.212635  7.419739       5.080781  7.954421       4.146864  160.4085 55.40136 166.8784 49.36545 -6.469955      74.20416 
1 1 1 24  18 24 o 171.1406 55.91905 8.917955       5.180259  0.000000       0.000000  8.917955       5.180259  ?        ?        171.1406 55.91905 0.000000       55.91905 
1 1 1 24  20 0  o 87.12267 32.64124 1.419067       1.806580  2.826100       5.935782  1.275426       1.896554  140.4065 57.16481 86.51766 33.20521 53.88886       66.10901 
1 1 1 24  20 1  o 97.53531 33.15926 2.161997       1.818349  -2.619501      6.056794  2.635642       1.906284  113.9822 51.79375 105.1360 33.88976 8.846237       61.89595 
1 1 1 24  20 2  o 349.4694 16.04179 28.94522       2.637129  0.000000       0.000000  28.94522       2.637129  ?        ?        349.4694 16.04179 0.000000       16.04179 
1 1 1 24  20 3  o 101.0209 33.71924 2.366655       1.879942  -16.67658      6.905098  3.891186       1.953744  85.55045 42.65074 124.4093 32.88583 -38.85885      53.85688 
1 1 1 24  20 4  o 316.4412 16.99038 23.82149       2.519845  22.53865       7.211655  23.99989       2.689359  293.3347 54.26256 317.3885 18.08799 -24.05377      57.19791 
1 1 1 24  20 5  o 197.9855 24.89336 9.529738       2.267132  11.44471       6.613309  9.274719       2.413374  206.3255 62.64045 194.7030 27.08360 11.62253       68.24477 
1 1 1 24  20 6  o 292.3518 20.14292 20.44330       2.753210  17.42866       7.171859  20.96437       2.981670  253.8239 60.85500 295.7100 21.58412 -41.88609      64.56939 
1 1 1 24  20 7  o 241.7598 26.15574 14.18895       2.927123  17.45838       7.310644  13.56475       3.194350  253.3901 61.87038 235.3307 29.50444 18.05939       68.54529 
1 1 1 24  20 8  o 218.3403 36.09915 11.93660       3.578096  14.97325       7.588662  11.06851       4.057428  232.8300 66.16869 207.6766 42.95080 25.15343       78.88642 
1 1 1 24  20 9  o 408.9657 20.19655 39.84660       3.885379  47.14626       8.853907  38.10561       4.323962  432.7513 44.11049 398.4933 23.16701 34.25803       49.82415 
1 1 1 24  20 10 o 178.1114 37.78157 8.070168       3.067388  9.530322       7.180100  7.744188       3.392551  191.1760 65.86938 173.3047 42.04404 17.87131       78.14395 
1 1 1 24  20 11 o 113.1539 42.99583 2.437832       3.159938  9.646255       7.424204  0.8430645      3.492034  192.1307 66.93510 103.1999 43.10421 88.93085       79.61333 
1 1 1 24  20 12 o 125.6663 38.95078 3.925294       2.540798  1.657377       3.307080  7.192530       3.969368  107.4620 43.05241 166.1026 48.06041 -58.64054      64.52374 
1 1 1 24  20 13 o 165.4377 38.50256 7.026134       2.940141  7.375149       4.149442  6.674228       4.166587  167.7643 49.31106 160.5528 49.89844 7.211517       70.15295 
1 1 1 24  20 14 o 125.3984 46.58681 3.342699       3.664809  10.06243       7.413184  1.169246       4.216033  193.2738 66.91070 113.1350 47.31733 80.13879       81.95103 
1 1 1 24  20 15 o 333.9063 21.19578 26.79228       3.311971  22.32949       4.389430  32.69170       5.046723  300.8132 31.48656 365.4373 29.61269 -64.62408      43.22401 
1 1 1 24  20 16 o 110.4665 41.05874 2.539966       2.847326  2.266222       3.378938  3.210464       5.288180  112.6558 44.02244 135.4787 54.38307 -22.82288      69.96780 
1 1 1 24  20 17 f 101.5813 38.56074 2.001084       2.540082  6.456813       3.373629  -3.831001      3.859668  156.3972 44.00393 81.17596 38.36676 75.22121       58.38111 
1 1 1 24  20 18 o 75.67191 33.96814 -0.8996847     2.513487  -1.526487      3.401131  -0.1454297     3.730931  85.37873 38.80239 97.81385 42.75555 -12.43512      57.73787 
1 1 1 24  20 19 o 307.5865 22.20925 22.95392       3.191834  24.76164       4.421710  20.98710       4.612183  315.5764 30.15329 287.7869 34.77473 27.78946       46.02720 
1 1 1 24  20 20 o 191.4175 46.51096 10.05269       4.146778  9.253865       5.075874  11.65577       7.190572  179.9496 54.93315 195.8070 65.94291 -15.85736      85.82610 
1 1 1 24  20 21 o 291.8951 26.19137 21.08796       3.558022  32.25327       5.881999  14.64503       4.468185  354.3257 35.78023 233.7351 42.19102 120.5906       55.32004 
1 1 1 24  20 22 o 182.6873 38.55421 8.951261       3.209099  11.41201       5.192040  7.430064       4.082226  196.1118 54.38314 161.3758 49.26390 34.73596       73.37886 
1 1 1 24  22 0  f 366.3069 15.72758 31.81774       2.710045  33.02616       7.329717  31.62638       2.916731  361.1646 44.05635 364.9566 16.98971 -3.791992      47.21877 
1 1 1 24  22 1  o 294.8157 18.77231 20.75842       2.589833  0.000000       0.000000  20.75842       2.589833  ?        ?        294.8157 18.77231 0.000000       18.77231 
1 1 1 24  22 2  o 306.9277 17.37471 22.44234       2.498257  17.95184       8.451475  22.87229       2.615122  252.7513 69.10221 309.7118 18.02800 -56.96046      71.41515 
1 1 1 24  22 3  o 333.1024 17.18609 26.41257       2.683748  0.000000       0.000000  26.41257       2.683748  ?        ?        333.1024 17.18609 0.000000       17.18609 
1 1 1 24  22 4  o 586.3491 15.51984 81.48674       4.280679  68.37099       10.01143  84.42107       4.735379  523.9433 40.94568 596.3959 16.87916 -72.45258      44.28831 
1 1 1 24  22 5  o 586.9818 13.81535 81.53429       3.814660  90.48753       10.57694  80.19558       4.089920  605.8951 37.29131 581.8422 14.94308 24.05298       40.17384 
1 1 1 24  22 6  o 75.59424 32.61331 -0.1088948     2.112795  -6.994650      6.447664  0.7194155      2.236264  102.4159 48.74992 85.30764 34.94989 17.10827       59.98374 
1 1 1 24  22 7  o 403.2241 18.36791 38.66287       3.483979  40.42807       8.332686  38.28891       3.835307  399.4894 45.13293 400.2511 20.43847 -0.7617493     49.54506 
1 1 1 24  22 8  o 120.4879 39.43698 3.502445       2.576139  -4.488704      6.874683  4.807885       2.778604  114.6457 53.21059 137.7256 40.31481 -23.07986      66.75815 
1 1 1 24  22 9  o 264.5943 24.92759 16.95318       3.066059  13.57907       7.710338  17.58694       3.341627  220.6324 67.76499 268.9560 26.76800 -48.32361      72.86028 
1 1 1 24  22 10 o 181.5863 36.08266 8.360160       2.973520  9.699763       7.219186  8.086454       3.263183  191.3867 66.04234 177.2975 40.06921 14.08920       77.24722 
1 1 1 24  22 11 f 182.1142 35.71540 8.409612       2.950297  3.712842       6.927243  9.450329       3.260821  151.0454 61.65473 192.7618 37.30996 -41.71638      72.06482 
1 1 1 24  22 12 o 428.5167 21.39369 43.93975       4.312437  0.000000       0.000000  43.93975       4.312437  ?        ?        428.5167 21.39369 0.000000       21.39369 
1 1 1 24  22 13 o 319.1074 27.22831 24.82060       4.048098  22.45244       8.486897  25.51807       4.605800  281.5397 65.34212 322.0530 30.77715 -40.51337      72.22760 
1 1 1 24  22 14 o 301.3307 21.20654 21.86288       2.986790  22.22073       4.065611  21.44330       4.402379  300.7840 29.09800 293.9706 32.37226 6.813354       43.52765 
1 1 1 24  22 15 o 181.5237 48.42221 8.869254       4.211021  6.376338       6.642928  10.54400       5.444771  163.2536 62.26620 194.9532 56.25341 -31.69960      83.91380 
1 1 1 24  22 16 o 370.6399 25.11690 33.43552       4.353276  28.96849       8.075176  35.26559       5.168653  325.5434 54.66989 378.4553 29.26042 -52.91190      62.00781 
1 1 1 24  22 17 o 217.6980 27.37888 11.74217       2.741733  10.52031       3.737369  13.16601       4.034442  199.8495 41.12664 224.9881 39.56449 -25.13864      57.06793 
1 1 1 24  22 18 o 181.9102 32.51939 8.455630       2.680580  8.540586       3.763720  8.368175       3.818704  177.3176 45.03656 175.1909 45.81691 2.126663       64.24547 
1 1 1 24  22 19 o 93.78123 38.92381 0.9817409      2.822053  0.5026754      4.513948  1.289133       3.615807  108.7906 47.30082 104.9683 43.85374 3.822334       64.50208 
1 1 1 24  22 20 o 414.5306 20.98116 41.73455       4.077923  48.18669       6.771857  38.06363       5.107907  435.3373 33.32137 391.0869 27.94933 44.25049       43.49113 
1 1 1 24  24 0  o 160.3771 33.92770 6.515172       2.479651  0.000000       0.000000  6.515172       2.479651  ?        ?        160.3771 33.92770 0.000000       33.92770 
1 1 1 24  24 1  o 375.8586 16.17756 33.53521       2.860268  15.27051       7.745299  36.41941       3.077828  232.7527 67.07366 391.5677 16.70968 -158.8150      69.12373 
1 1 1 24  24 2  o 326.7589 16.48732 25.41543       2.526057  13.20749       6.501362  27.58610       2.741452  219.1825 60.88168 340.2888 17.18186 -121.1063      63.25974 
1 1 1 24  24 3  o 296.5970 17.11094 20.97029       2.377180  19.91677       6.723745  21.12079       2.541309  273.6228 54.15532 297.3910 18.25431 -23.76819      57.14909 
1 1 1 24  24 4  o 201.0216 22.74929 9.793228       2.113331  14.24495       6.559297  9.277589       2.232371  227.7832 60.27811 195.0221 24.90249 32.76103       65.21951 
1 1 1 24  24 5  o 141.2520 31.17634 5.031075       2.016050  1.543698       6.427553  5.411603       2.123195  135.8598 57.70717 146.4625 31.73431 -10.60274      65.85730 
1 1 1 24  24 6  o 208.0965 23.78913 10.51767       2.286849  10.16052       6.512660  10.56789       2.442371  193.8137 62.65768 208.1224 25.47944 -14.30872      67.64012 
1 1 1 24  24 7  o 132.6000 33.07859 4.462944       2.056465  3.106421       6.670810  4.605400       2.161750  145.8898 60.13520 134.5624 34.10706 11.32738       69.13418 
1 1 1 24  24 8  o 159.7666 31.99466 6.432989       2.320695  -5.196196      6.419285  8.181388       2.489042  107.0737 50.25600 181.2388 30.26232 -74.16505      58.66407 
1 1 1 24  24 9  o 129.1126 38.12587 4.226026       2.475446  8.585018       7.038774  3.610795       2.644375  181.7696 65.00777 121.7007 39.96177 60.06886       76.30828 
1 1 1 24  24 10 o 238.7141 24.86440 13.86981       2.751088  29.57789       7.481335  11.41358       2.958370  336.5941 48.66278 214.5724 30.14077 122.0217       57.24100 
1 1 1 24  24 11 o 218.7969 30.85164 11.90490       3.087189  0.000000       0.000000  11.90490       3.087189  ?        ?        218.7969 30.85164 0.000000       30.85164 
1 1 1 24  24 12 o 468.8958 42.85251 56.21284       9.347477  56.21284       9.347477  0.000000       0.000000  468.8958 42.85251 ?        ?        0.000000       42.85251 
1 1 1 24  24 13 o 242.5253 26.67368 14.44292       2.992762  18.23425       7.037605  13.60593       3.306648  254.0507 59.86998 233.6826 30.83402 20.36809       67.34354 
1 1 1 24  24 14 o 269.4999 28.49547 17.93729       3.557677  16.83115       7.032703  18.31771       4.124335  241.4654 61.68983 270.1707 33.14773 -28.70525      70.03147 
1 1 1 24  24 15 o 177.9620 38.18725 8.275565       3.101074  8.183710       6.307648  8.304844       3.561178  172.6561 61.56124 176.1966 43.27961 -3.540482      75.25231 
1 1 1 24  24 16 o 320.2565 29.99162 25.53791       4.465599  0.000000       0.000000  25.53791       4.465599  ?        ?        320.2565 29.99162 0.000000       29.99162 
1 1 1 24  24 17 o 326.0425 25.09704 26.10309       3.819580  9.283591       6.899952  33.53440       4.586402  178.1952 64.29225 368.8271 26.61380 -190.6319      69.58296 
1 1 1 24  26 0  o 147.2505 43.13395 5.627365       3.179780  0.000000       0.000000  5.627365       3.179780  ?        ?        147.2505 43.13395 0.000000       43.13395 
1 1 1 24  26 1  o 78.28002 33.10429 0.2539799      2.100338  3.766350       5.204682  -0.4292825     2.295556  139.0360 54.55050 75.78912 33.32198 63.24686       63.92270 
1 1 1 24  26 2  o 91.69766 34.87362 1.550312       2.079989  -0.4854340     5.147797  1.947515       2.273871  112.7084 49.71329 98.57349 36.68128 14.13486       61.78129 
1 1 1 24  26 3  o 87.25777 34.13817 1.220364       2.033787  2.295779       5.204449  1.026542       2.209475  129.1983 53.16926 87.58247 35.15397 41.61585       63.73988 
1 1 1 24  26 4  o 297.1189 18.42421 21.12764       2.562368  14.33115       6.200483  22.52737       2.813884  227.7016 57.79028 306.4914 19.62024 -78.78981      61.03008 
1 1 1 24  26 5  o 108.0100 35.34560 2.813879       2.069383  2.239596       5.146428  2.924641       2.260150  128.2508 52.83656 110.6414 36.97191 17.60941       64.48740 
1 1 1 24  26 6  o 327.1742 16.04659 25.44763       2.469625  20.14566       6.186553  26.45268       2.693548  275.8494 49.49551 332.8656 17.26155 -57.01617      52.41914 
1 1 1 24  26 7  o 498.5186 14.13640 58.95161       3.315045  42.74673       7.302151  63.15845       3.720544  412.3034 38.08021 515.6122 15.33960 -103.3088      41.05370 
1 1 1 24  26 8  o 217.5841 23.17880 11.51654       2.335873  -1.020511      5.844261  13.90010       2.548266  116.5123 52.08363 239.3383 22.91418 -122.8260      56.90135 
1 1 1 24  26 9  o 132.1831 35.41116 4.494118       2.246171  5.713437       5.781471  4.277353       2.437665  155.0812 58.33562 129.1586 37.74726 25.92265       69.48309 
1 1 1 24  26 10 o 164.6710 35.96539 6.996362       2.707921  0.000000       0.000000  6.996362       2.707921  ?        ?        164.6710 35.96539 0.000000       35.96539 
1 1 1 24  26 11 o 133.4463 36.73120 4.613551       2.378516  -4.131986      5.454739  6.666785       2.643017  99.10567 46.45552 160.4952 35.90613 -61.38956      58.71427 
1 1 1 24  26 12 o 206.9671 26.74141 10.60040       2.542597  7.598098       5.953732  11.27010       2.811912  167.8947 59.81502 212.6676 28.85301 -44.77298      66.41034 
1 1 1 24  26 13 o 133.2332 37.73462 4.637149       2.472340  -1.332640      5.855379  5.932365       2.727386  113.4603 51.30404 150.0484 38.46198 -36.58805      64.12041 
1 1 1 24  28 0  o 110.3714 40.46479 2.667724       2.749099  -1.836504      4.656821  5.077114       3.405907  99.63596 45.32889 140.1264 45.31293 -40.49042      64.09345 
1 1 1 24  28 1  o 226.5380 23.44745 12.51600       2.462484  8.100476       5.007684  13.92424       2.828031  172.0011 54.87399 238.2672 25.63531 -66.26604      60.56669 
1 1 1 24  28 2  o 97.64546 36.23228 1.963609       2.215421  -0.4369798     4.819212  2.606863       2.494644  108.4511 47.95444 107.7505 38.68338 0.7006454      61.61195 
1 1 1 24  28 3  o 165.6835 32.01036 6.976710       2.404520  5.558859       5.038672  7.394818       2.736179  150.1186 54.82086 169.4376 35.46740 -19.31903      65.29366 
1 1 1 24  28 4  o 268.2649 23.66013 17.51274       2.955146  28.16588       5.986134  14.07991       3.398079  332.1150 39.06326 237.3526 31.18998 94.76239       49.98753 
1 1 1 24  28 5  o 414.5205 16.36934 40.94974       3.191880  22.87753       6.305023  47.17738       3.701201  293.5851 47.25822 444.4324 17.70385 -150.8474      50.46548 
1 1 1 24  28 6  o 196.7789 26.57289 9.580482       2.396817  2.779429       5.570558  11.12559       2.655157  133.1170 54.92120 212.0301 27.25173 -78.91309      61.31065 
1 1 1 24  28 7  o 92.47596 38.33801 0.8684431      2.733247  2.439061       5.214172  0.2733453      3.209551  128.1935 53.03288 93.93700 40.35926 34.25646       66.64351 
1 1 1 24  28 8  o 152.8323 47.77306 6.250160       3.813020  7.645660       5.302870  4.756243       5.486677  167.1427 56.62772 145.1010 56.26370 22.04172       79.82670 
1 1 1 25  1  0  o 893.5184 18.56193 188.3501       7.801820  198.4542       13.04798  182.7273       9.733464  914.8601 30.31931 879.2707 23.53291 35.58942       38.38044 
1 1 1 25  1  1  o 590.6042 14.97387 82.20209       4.160064  77.13380       5.786263  87.62489       5.985217  571.5117 21.52305 609.2109 20.88541 -37.69922      29.99069 
1 1 1 25  1  2  o 644.9859 14.77888 98.03181       4.483954  98.06100       6.379615  98.00330       6.303606  644.4520 21.04431 644.2911 20.79877 0.1608887      29.58803 
1 1 1 25  1  3  o 777.9610 14.61637 142.6162       5.348925  140.3992       7.501045  144.9099       7.629639  771.1680 20.67776 783.4545 20.70241 -12.28650      29.26020 
1 1 1 25  1  4  o 190.9987 32.56576 8.896982       2.820967  9.891462       4.036317  7.947386       3.944178  199.5591 44.16582 178.8115 46.46674 20.74765       64.10754 
1 1 1 25  1  5  o 175.0338 35.94486 7.551453       2.860490  12.87957       4.162016  2.781552       3.937964  229.1354 40.07307 126.5962 48.02333 102.5392       62.54672 
1 1 1 25  1  6  o 408.3798 18.72576 39.35547       3.597269  36.26101       4.986788  42.71264       5.194161  390.3329 27.33162 423.9828 26.17137 -33.64984      37.84122 
1 1 1 25  1  7  o 884.9586 15.75928 184.6502       6.560372  194.5884       9.547310  175.7601       9.029838  907.3350 22.36887 862.3422 22.26030 44.99286       31.55768 
1 1 1 25  1  8  o 271.2620 26.50072 17.59627       3.338358  18.18988       4.773503  17.02800       4.670485  273.5129 38.13914 264.3477 38.70592 9.165253       54.33914 
1 1 1 25  1  9  o 609.2292 16.65879 87.56954       4.774123  87.23836       6.775358  87.89613       6.728149  607.1066 23.72455 609.4321 23.46935 -2.325439      33.37161 
1 1 1 25  1  10 o 476.2027 20.67085 53.61619       4.630410  46.99763       7.392178  57.89001       5.940175  442.1510 35.84989 493.4678 25.67874 -51.31680      44.09776 
1 1 1 25  1  11 o 383.6884 23.62961 35.01739       4.244114  34.51310       5.377713  35.85018       6.910768  379.5211 30.37719 384.6933 38.71531 -5.172180      49.21025 
1 1 1 25  1  12 o 449.5433 19.61742 47.81102       4.148422  46.27856       5.779628  49.43949       5.957944  440.0769 28.06544 454.9366 27.97606 -14.85965      39.62737 
1 1 1 25  1  13 o 522.1991 19.09912 64.53973       4.691577  60.16813       6.496465  69.30485       6.782563  501.7673 27.63010 539.5250 26.72470 -37.75775      38.43998 
1 1 1 25  1  14 o 766.1876 17.26244 138.8732       6.221663  130.0633       8.502471  149.0280       9.128354  739.3478 24.44709 791.3893 24.52071 -52.04156      34.62550 
1 1 1 25  1  15 o 165.1806 63.93482 5.184305       7.074990  5.184305       7.074990  0.000000       0.000000  165.1806 63.93482 ?        ?        0.000000       63.93482 
1 1 1 25  1  16 o 421.1529 25.44008 42.53103       5.016308  38.82283       8.855825  44.28294       6.086999  392.2950 49.06250 428.0340 30.42946 -35.73901      57.73285 
1 1 1 25  1  17 f 106.2416 43.10127 1.365139       3.360015  0.9114444      4.646678  1.862336       4.864349  117.2711 49.39684 125.6107 51.51373 -8.339638      71.37025 
1 1 1 25  1  18 o 259.3918 31.00537 16.51218       3.708251  16.81981       5.349521  16.22763       5.144976  255.7646 46.16224 251.5734 45.13434 4.191132       64.56052 
1 1 1 25  1  19 o 200.2770 39.72103 10.25918       3.609991  11.42674       5.233314  9.199264       4.986239  206.3988 53.47034 185.6807 53.90646 20.71802       75.92749 
1 1 1 25  1  20 o 159.3619 49.15375 6.636714       4.051850  13.29965       6.788395  2.949227       5.050097  217.6365 62.81587 132.5148 53.16190 85.12175       82.29229 
1 1 1 25  1  21 o 343.7939 31.41528 29.18781       5.024379  37.87159       8.006887  23.54747       6.453004  382.7222 45.35703 299.6703 47.35017 83.05194       65.56905 
1 1 1 25  1  22 o 162.5956 45.44327 7.030703       3.610493  5.857119       5.041465  8.266370       5.173095  153.1190 54.98967 174.2339 55.79264 -21.11491      78.33698 
1 1 1 25  1  23 o 596.9578 21.00500 85.64767       5.898421  88.77113       8.156799  82.22415       8.539617  602.1072 28.79895 576.4246 31.61457 25.68256       42.76518 
1 1 1 25  1  24 o 302.2063 33.27936 22.98311       4.652527  25.57670       8.438405  21.85034       5.576744  296.7123 62.43528 289.0407 42.26479 7.671600       75.39546 
1 1 1 25  1  25 o 266.8718 32.53839 18.01668       4.000202  16.33851       5.730594  19.61148       5.586440  241.5387 51.97702 270.0700 45.59697 -28.53125      69.14256 
1 1 1 25  1  26 o 103.2028 43.34616 1.186327       3.561418  -0.9077155     4.982009  3.374743       5.093036  105.4183 47.52686 130.5578 53.03023 -25.13945      71.21101 
1 1 1 25  1  27 o 172.1598 48.83759 8.530622       4.137872  16.16825       7.421513  5.085358       4.984531  221.9235 66.13050 140.4578 53.84943 81.46573       85.28191 
1 1 1 25  1  28 o 143.8905 54.75997 5.799143       5.130713  6.031511       7.092124  5.543996       7.431622  149.7720 61.89605 148.1360 62.43757 1.636032       87.91798 
1 1 1 25  1  29 o 128.5268 51.02887 4.274248       4.604967  0.3418550E-01  6.289503  9.173604       6.760825  114.9659 52.44837 164.0888 62.76093 -49.12294      81.79099 
1 1 1 25  1  30 o 139.4539 57.94665 5.882878       6.264758  5.882878       6.264758  0.000000       0.000000  139.4539 57.94665 ?        ?        0.000000       57.94665 
1 1 1 25  3  0  o 818.2360 15.30881 157.8033       5.892359  162.8419       11.89567  156.1651       6.782953  828.5933 30.51955 813.6851 17.72120 14.90820       35.29141 
1 1 1 25  3  1  o 685.9162 15.70933 110.9023       5.068718  114.1201       10.18465  109.8429       5.843851  693.5439 31.21783 682.3740 18.20570 11.16986       36.13863 
1 1 1 25  3  2  o 440.9348 16.54497 45.84057       3.431704  46.80309       4.943423  44.94527       4.767671  444.3422 23.73643 435.4629 23.36003 8.879272       33.30329 
1 1 1 25  3  3  o 255.3806 24.00813 15.55324       2.850279  15.92847       4.007469  15.16910       4.054753  256.7335 34.02118 250.1508 35.45032 6.582718       49.13416 
1 1 1 25  3  4  o 266.5035 24.08498 16.92844       2.986758  26.64777       4.349888  8.258783       4.108286  334.2675 27.91956 182.1755 47.46379 152.0920       55.06644 
1 1 1 25  3  5  o 838.3827 15.07680 165.6723       5.945946  163.7042       8.335735  167.7110       8.483897  832.5081 21.28561 842.6146 21.40411 -10.10651      30.18631 
1 1 1 25  3  6  o 729.0093 15.45367 125.2889       5.299489  119.2209       7.339057  131.9001       7.660490  710.2978 21.96496 747.1405 21.79641 -36.84271      30.94419 
1 1 1 25  3  7  o 232.4943 29.90767 13.03442       3.195035  11.51948       4.459793  14.63178       4.579509  215.1685 45.48520 244.1031 41.35871 -28.93457      61.47720 
1 1 1 25  3  8  o 86.59970 39.15231 -1.802892      3.408585  -4.181977      4.295477  2.242568       5.601319  88.31481 41.34220 138.2345 55.80033 -49.91964      69.44677 
1 1 1 25  3  9  o 345.1405 32.39717 28.59952       5.198282  0.000000       0.000000  28.59952       5.198282  ?        ?        345.1405 32.39717 0.000000       32.39717 
1 1 1 25  3  10 o 240.9159 29.73244 14.00584       3.298011  19.81775       4.823574  8.903702       4.519449  285.6053 36.75624 188.2650 50.13749 97.34036       62.16743 
1 1 1 25  3  11 o 678.5992 16.86681 108.7453       5.384131  115.3297       7.776930  102.6843       7.461485  697.4798 23.70322 658.0433 24.10469 39.43646       33.80648 
1 1 1 25  3  12 o 391.9367 25.01396 36.63151       4.587712  36.15588       5.657804  37.54459       7.839104  387.8850 31.27390 391.6055 43.27806 -3.720520      53.39520 
1 1 1 25  3  13 o 575.6830 18.03397 78.39877       4.883645  78.14064       6.842484  78.66678       6.972382  573.1219 25.38034 574.9448 25.78016 -1.822937      36.17705 
1 1 1 25  3  14 o 465.5258 23.70857 51.67513       5.174620  51.81468       6.238639  51.36742       9.263789  464.6992 28.67982 456.8434 43.63818 7.855743       52.21899 
1 1 1 25  3  15 o 122.7157 44.46481 3.158759       3.305478  4.527631       4.734470  1.856948       4.617043  145.5380 53.14144 124.0573 50.45200 21.48072       73.27630 
1 1 1 25  3  16 o 593.0923 18.72667 83.47051       5.224589  85.16270       7.525487  81.89600       7.259081  596.3116 26.82823 584.9363 26.38176 11.37531       37.62646 
1 1 1 25  3  17 o 106.6785 45.66525 0.2524904      4.081926  1.702438       7.565022  -0.3430412     4.848267  147.2854 62.58387 111.9519 48.84243 35.33352       79.38718 
1 1 1 25  3  18 o 310.4501 26.79417 23.35116       3.874586  19.75203       5.439663  27.05766       5.520210  279.0390 42.80838 330.6122 36.08081 -51.57321      55.98555 
1 1 1 25  3  19 o 412.6080 25.63622 41.13686       4.951164  59.78003       9.079609  33.24706       5.906638  489.0123 39.81672 366.6948 34.65332 122.3175       52.78469 
1 1 1 25  3  20 o 153.7756 44.87275 6.163171       3.447191  1.879922       4.769259  10.84878       4.988240  122.8804 50.76802 200.3947 52.34410 -77.51429      72.91980 
1 1 1 25  3  21 o 145.4877 48.52964 5.379815       3.894232  3.439657       4.748121  9.366826       6.806548  133.0682 52.13356 185.2067 64.11475 -52.13846      82.63539 
1 1 1 25  3  22 o 93.20898 40.59362 -0.1257241     3.335762  -2.173114      4.621549  2.100941       4.819642  98.00514 44.80710 123.7346 51.07130 -25.72950      67.94081 
1 1 1 25  3  23 o 132.6518 46.16176 4.337942       3.530599  6.470629       4.866920  1.968957       5.129460  157.0201 54.22332 124.8816 52.20782 32.13857       75.27168 
1 1 1 25  3  24 o 125.2920 45.78420 3.666651       3.515251  0.1586732      4.664088  8.279752       5.348535  109.3424 47.79930 172.2144 56.84678 -62.87200      74.27200 
1 1 1 25  3  25 o 178.4604 49.52947 8.898257       4.304742  5.124852       7.063500  11.12782       5.429547  152.6818 62.28305 195.9407 56.06855 -43.25887      83.80251 
1 1 1 25  3  26 o 214.3786 45.22390 12.62817       4.417100  9.024971       7.445129  14.58538       5.487144  174.3940 66.06138 225.2216 52.72359 -50.82759      84.52150 
1 1 1 25  3  27 o 124.9064 48.81695 3.568746       4.155499  6.403092       6.951114  1.992440       5.183799  154.5875 62.24549 120.8403 51.58708 33.74727       80.84385 
1 1 1 25  3  28 o 139.7473 51.83679 5.446851       4.533854  3.421522       5.876857  8.424496       7.125803  130.8587 55.35913 163.1935 63.88568 -32.33475      84.53410 
1 1 1 25  3  29 o 120.1632 52.05636 2.360286       5.427825  2.360286       5.427825  0.000000       0.000000  120.1632 52.05636 ?        ?        0.000000       52.05636 
1 1 1 25  3  30 o 91.64210 43.85692 -3.912010      5.368186  -3.912010      5.368186  0.000000       0.000000  91.64210 43.85692 ?        ?        0.000000       43.85692 
1 1 1 25  5  0  o 1003.359 15.82938 237.3483       7.471189  234.2152       14.55004  238.4701       8.706664  993.3318 31.13869 1005.306 18.41129 -11.97437      36.17449 
1 1 1 25  5  1  o 582.0812 18.09397 79.93635       4.954351  85.13675       9.258531  77.84975       5.864657  597.6868 33.05902 574.0449 21.71838 23.64191       39.55486 
1 1 1 25  5  2  o 124.6795 44.85468 3.157307       3.355751  -2.128716      5.900618  5.684292       4.079757  117.8143 52.52374 155.0757 49.53551 -37.26131      72.19772 
1 1 1 25  5  3  o 544.8307 15.48568 69.97633       3.968819  64.82141       5.530426  75.45005       5.698880  523.7235 22.44849 565.1501 21.43662 -41.42664      31.03971 
1 1 1 25  5  4  o 467.5440 16.89215 51.55613       3.715154  58.17668       5.418571  45.68288       5.103606  496.0507 23.22145 438.7193 24.83171 57.33145       33.99779 
1 1 1 25  5  5  o 166.6915 36.53997 6.874288       2.786143  7.081092       3.808798  6.636261       4.086216  169.0449 46.46103 164.8205 49.05990 4.224411       67.56849 
1 1 1 25  5  6  o 261.8349 25.28958 16.37907       3.076090  17.24080       4.430698  15.57720       4.274028  266.5955 36.27220 253.0202 37.00352 13.57524       51.81634 
1 1 1 25  5  7  o 434.4023 18.04254 44.54063       3.686881  46.72943       5.273200  42.44737       5.156821  443.4742 25.38306 422.4760 26.07587 20.99820       36.39025 
1 1 1 25  5  8  o 403.1870 20.84886 38.52785       3.940670  40.24971       6.367657  37.45909       5.016744  409.7480 33.32520 396.5023 27.05881 13.24561       42.92724 
1 1 1 25  5  9  o 473.4930 17.97130 52.94405       4.002785  58.20372       5.914924  48.50027       5.436834  494.8073 25.49899 451.5245 25.70369 43.28284       36.20605 
1 1 1 25  5  10 o 358.0072 21.80063 30.45270       3.653897  36.10871       5.440257  25.80443       4.931851  388.3033 30.01683 327.3291 32.45786 60.97421       44.20998 
1 1 1 25  5  11 o 361.3517 21.58617 31.03763       3.652458  22.92722       4.985590  40.43324       5.366083  307.4603 35.10044 411.2702 27.90216 -103.8099      44.83940 
1 1 1 25  5  12 o 215.9158 33.38064 11.41812       3.281014  10.04318       4.416249  13.11199       4.901742  199.0057 47.77957 227.9519 47.26402 -28.94621      67.20695 
1 1 1 25  5  13 o 115.8015 48.01512 1.089363       4.288110  1.089363       4.288110  0.000000       0.000000  115.8015 48.01512 ?        ?        0.000000       48.01512 
1 1 1 25  5  14 o 495.6862 19.25820 58.24580       4.490469  66.75517       6.624616  51.01239       6.107788  528.0972 26.75454 460.9781 28.30350 67.11908       38.94732 
1 1 1 25  5  15 o 432.3757 20.45475 44.40854       4.160301  51.27403       6.072733  38.33654       5.711021  461.7827 28.08961 398.1695 30.72905 63.61325       41.63293 
1 1 1 25  5  16 o 591.3904 18.41385 83.00349       5.122572  80.05126       7.067501  86.27098       7.435308  578.2162 25.98402 600.1129 26.33884 -21.89673      36.99870 
1 1 1 25  5  17 o 318.1915 26.05696 24.44845       3.865955  28.18791       5.536788  20.89104       5.400336  338.3043 35.31259 288.4587 40.94810 49.84555       54.07149 
1 1 1 25  5  18 o 343.8900 28.29582 28.73718       4.536702  26.44471       7.469212  30.07731       5.710810  318.3857 51.64049 348.8402 35.28713 -30.45456      62.54536 
1 1 1 25  5  19 o 525.2870 19.42220 65.81115       4.799152  74.89740       6.987578  57.69802       6.602805  556.9661 26.67035 486.9556 28.95552 70.01047       39.36660 
1 1 1 25  5  20 o 79.37508 36.78825 -2.402185      3.269081  -6.978747      4.629169  2.150766       4.617211  80.75288 39.15996 123.2263 50.32166 -42.47345      63.76340 
1 1 1 25  5  21 o 178.8055 43.24708 8.427541       3.597791  17.12838       5.026906  -0.7098479     5.151471  256.9001 43.12569 111.1339 49.33839 145.7663       65.52940 
1 1 1 25  5  22 o 206.4839 50.24453 11.59460       4.833921  11.59460       4.833921  0.000000       0.000000  206.4839 50.24453 ?        ?        0.000000       50.24453 
1 1 1 25  5  23 o 293.8840 29.60181 21.39569       4.036550  19.26518       5.376028  24.14903       6.111526  270.9977 43.65514 303.6595 44.07262 -32.66183      62.03360 
1 1 1 25  5  24 o 256.7673 31.89355 16.58372       3.769252  18.66801       4.991458  13.81816       5.749641  267.3240 41.00217 220.3700 55.49707 46.95401       69.00074 
1 1 1 25  5  25 o 207.9658 45.99445 11.83346       4.380135  21.06718       7.278927  6.591765       5.484216  268.2300 59.26788 156.6014 57.19253 111.6286       82.36302 
1 1 1 25  5  26 o 124.0504 47.64380 3.502624       3.906220  7.146255       6.444057  1.386057       4.911433  160.4003 61.29140 116.4738 49.98063 43.92650       79.08665 
1 1 1 25  5  27 o 155.2614 48.25912 6.905049       3.897196  15.27646       6.523618  2.259502       4.859680  219.7337 60.96835 119.8330 50.49828 99.90073       79.16576 
1 1 1 25  5  28 o 109.5269 47.04148 1.461044       4.357707  8.299644       6.466832  -4.227111      5.897849  161.6904 61.49146 98.26691 46.73188 63.42349       77.23386 
1 1 1 25  5  29 o 161.8462 58.65735 8.754459       5.752859  8.754459       5.752859  0.000000       0.000000  161.8462 58.65735 ?        ?        0.000000       58.65735 
1 1 1 25  7  0  o 322.7489 23.15389 24.76039       3.491906  22.36921       6.649608  25.67085       4.103189  301.2148 48.58291 328.0823 26.82156 -26.86752      55.49500 
1 1 1 25  7  1  o 413.0150 20.41946 40.29223       3.967157  46.99763       7.994311  38.10144       4.569504  441.9856 38.84493 400.5425 24.36803 41.44308       45.85553 
1 1 1 25  7  2  o 464.8020 19.36926 51.00842       4.234970  51.45660       8.198088  50.84529       4.946014  462.8385 37.98928 463.7294 22.67365 -0.8908997     44.24115 
1 1 1 25  7  3  o 537.3370 18.74042 68.15671       4.736913  71.13556       8.872038  66.96896       5.602246  545.4861 34.75667 532.2244 22.37681 13.26172       41.33700 
1 1 1 25  7  4  o 683.3093 15.21727 110.0870       4.891290  116.8629       7.190989  104.2526       6.672709  703.1308 21.74118 664.1697 21.35766 38.96106       30.47669 
1 1 1 25  7  5  o 1195.023 15.99333 336.8242       8.990513  341.3091       12.94480  332.6448       12.49608  1201.194 22.90936 1185.999 22.39856 15.19531       32.03958 
1 1 1 25  7  6  o 100.4477 39.02448 1.534667       2.643463  2.920388       3.862978  0.3142985      3.625184  126.7717 47.68480 103.1782 43.55476 23.59353       64.58217 
1 1 1 25  7  7  o 429.0842 19.52772 43.50314       3.941517  49.07848       6.658051  40.49501       4.890563  453.0529 31.43578 412.5817 25.32119 40.47119       40.36547 
1 1 1 25  7  8  o 195.0376 31.62037 9.285293       2.801717  11.88295       4.007753  6.802403       3.918217  219.2076 40.35347 165.6564 47.69727 53.55124       62.47746 
1 1 1 25  7  9  o 461.3678 17.79107 50.28832       3.861167  55.39988       5.612283  45.69457       5.320428  482.6182 24.80488 437.9516 25.94123 44.66660       35.89192 
1 1 1 25  7  10 o 833.6798 15.88170 164.1050       6.228242  174.0209       9.270086  155.9460       8.408885  856.6793 23.00362 811.2402 22.03533 45.43903       31.85471 
1 1 1 25  7  11 o 202.2898 33.07560 10.04290       3.038595  6.517169       4.194095  13.93807       4.408351  162.5634 49.98724 236.9584 41.03514 -74.39502      64.67307 
1 1 1 25  7  12 o 419.8602 19.82202 41.76814       3.914912  46.70985       5.668376  37.26091       5.413459  441.7154 27.41555 393.7809 29.43767 47.93445       40.22672 
1 1 1 25  7  13 o 649.5342 23.96761 100.4162       7.323117  100.4162       7.323117  0.000000       0.000000  649.5342 23.96761 ?        ?        0.000000       23.96761 
1 1 1 25  7  14 o 184.9491 38.46998 8.604383       3.237864  11.48753       4.400022  5.199153       4.781834  212.3300 45.42656 151.3935 53.64112 60.93651       70.29184 
1 1 1 25  7  15 o 280.0142 27.16515 18.95650       3.533158  18.54382       4.884794  19.40927       5.116539  273.0290 39.15447 279.0669 40.13050 -6.037964      56.06719 
1 1 1 25  7  16 o 370.9909 22.51076 32.95649       3.909885  39.13985       5.595212  27.05568       5.465881  401.8291 29.81353 331.5035 35.60926 70.32562       46.44207 
1 1 1 25  7  17 o 419.3183 21.21640 42.05136       4.171282  40.54755       5.845486  43.61161       5.954183  408.0728 30.67631 423.5600 30.07954 -15.48721      42.96294 
1 1 1 25  7  18 f 360.3636 27.94708 31.55993       4.700418  38.85256       9.730357  29.34018       5.368329  383.3472 55.58032 344.9714 33.50420 38.37576       64.89764 
1 1 1 25  7  19 o 213.4256 34.94677 11.46798       3.387047  11.35261       4.913392  11.57246       4.675476  205.7870 51.01205 208.8150 48.52295 -3.028076      70.40388 
1 1 1 25  7  20 o 537.9681 19.60779 69.16708       4.961975  71.01697       6.925179  67.21539       7.113183  540.4653 27.32791 524.7371 28.92904 15.72821       39.79577 
1 1 1 25  7  21 o 126.9292 47.76303 3.453413       3.876415  1.781322       4.648441  7.271106       7.023896  120.4391 49.96933 170.6373 64.27708 -50.19817      81.41546 
1 1 1 25  7  22 o 117.1979 45.06453 2.726780       3.497272  4.283283       4.802764  0.9698519      5.102623  139.0604 52.96679 119.0754 51.01637 19.98495       73.54013 
1 1 1 25  7  23 o 185.5763 47.21939 9.354530       4.132136  12.01423       4.938787  3.148038       7.544433  208.8210 50.77027 147.2938 62.54038 61.52728       80.55383 
1 1 1 25  7  24 o 138.5015 45.96310 5.005686       3.494856  3.466831       4.791241  6.755420       5.108993  131.1175 52.05284 158.2632 55.50402 -27.14574      76.09332 
1 1 1 25  7  25 o 112.5639 45.39563 2.196552       3.703445  -4.961356      5.555803  7.920518       4.968238  95.71385 45.47039 166.7865 54.77570 -71.07263      71.18942 
1 1 1 25  7  26 o 154.1075 54.77114 6.687736       4.989107  0.000000       0.000000  6.687736       4.989107  ?        ?        154.1075 54.77114 0.000000       54.77114 
1 1 1 25  7  27 o 172.9286 47.25858 8.629603       3.953833  9.997028       6.837517  7.942667       4.846240  175.7701 63.91093 162.8022 54.12957 12.96782       83.75331 
1 1 1 25  7  28 o 97.64612 43.19137 0.2043270      3.912663  -2.563912      5.779793  2.546076       5.315947  102.3393 47.92290 121.8429 52.13347 -19.50359      70.81316 
1 1 1 25  7  29 o 159.3346 50.01982 7.931497       4.175080  6.988705       5.655592  9.060643       6.189355  147.9137 57.18752 161.7965 60.45670 -13.88287      83.21914 
1 1 1 25  9  0  o 570.3522 17.58894 76.78858       4.719023  80.97504       9.182591  75.28612       5.501026  581.9624 33.68700 564.3496 20.72174 17.61279       39.55003 
1 1 1 25  9  1  o 512.9754 18.72104 62.14400       4.517474  63.04995       8.766122  61.81641       5.271327  512.5314 36.60019 511.2368 21.91940 1.294617       42.66185 
1 1 1 25  9  2  o 588.0517 18.21944 81.64895       5.039876  73.75150       9.739133  84.53732       5.889832  554.2075 37.57967 597.9924 20.93813 -43.78491      43.01904 
1 1 1 25  9  3  o 107.3686 46.11071 -0.1438621     4.186354  -2.612961      7.657378  0.9087397      4.999688  133.6696 59.69534 123.5048 51.58007 10.16483       78.89257 
1 1 1 25  9  4  o 386.5108 22.15167 35.46021       4.010725  32.52081       8.004422  36.44558       4.634476  363.9388 47.92072 391.3239 25.31206 -27.38513      54.19498 
1 1 1 25  9  5  o 406.9539 18.45558 39.11902       3.532989  32.49854       5.027337  45.57901       4.966030  368.6198 29.23256 437.9472 24.19950 -69.32739      37.94942 
1 1 1 25  9  6  o 628.6005 16.90890 93.28854       4.999876  100.9215       8.483468  89.22609       6.188997  651.7541 27.67071 614.0610 21.42592 37.69312       34.99626 
1 1 1 25  9  7  o 412.9321 17.69957 40.28208       3.438037  41.20602       4.882285  39.37325       4.842200  415.9871 25.06728 406.5201 25.44984 9.467041       35.72203 
1 1 1 25  9  8  o 261.6528 24.96022 16.39690       3.034899  18.44125       4.375473  14.50145       4.213118  275.5162 34.51812 242.9288 38.12350 32.58737       51.42862 
1 1 1 25  9  9  o 69.09184 32.48364 -2.820242      2.701134  -2.726307      3.777877  -2.918484      3.863523  86.94286 40.02906 87.27536 40.28862 -0.3324966     56.79348 
1 1 1 25  9  10 o 538.1414 17.02928 68.46259       4.310841  71.04364       6.135325  65.94595       6.058304  546.8520 23.85056 526.7336 24.45067 20.11835       34.15676 
1 1 1 25  9  11 o 392.2083 19.77446 36.54434       3.636559  42.44417       5.295542  31.27901       5.002687  421.0532 26.87671 360.4332 29.77243 60.62000       40.10929 
1 1 1 25  9  12 o 245.0397 33.46435 14.70242       3.756498  23.74039       4.772264  -0.1925386E-01 6.090705  312.5268 32.95846 127.8594 55.26707 184.6674       64.34834 
1 1 1 25  9  13 o 271.0522 26.57450 17.72235       3.344762  14.97238       4.629983  20.72401       4.837236  244.3819 41.77641 290.4248 36.19279 -46.04289      55.27374 
1 1 1 25  9  14 o 369.5598 24.61642 32.75738       4.254876  27.06850       4.983057  48.06778       8.174776  333.4392 32.16869 441.6547 39.77481 -108.2155      51.15525 
1 1 1 25  9  15 o 215.1027 32.99596 11.44965       3.232117  13.17348       4.528769  9.660133       4.614239  227.1978 43.96408 192.3535 50.39193 34.84424       66.87440 
1 1 1 25  9  16 o 187.6008 38.65160 8.945471       3.297426  7.126128       4.532125  10.99176       4.806490  166.4901 52.09013 204.4564 50.31673 -37.96631      72.42345 
1 1 1 25  9  17 o 587.0456 20.24490 82.19914       5.590578  87.27706       9.198118  79.22434       7.040203  597.3524 32.86036 573.6953 26.08763 23.65717       41.95673 
1 1 1 25  9  18 o 459.0733 20.81142 50.37376       4.494207  52.47903       6.492848  48.43735       6.227020  463.7663 29.92196 445.4995 29.88735 18.26678       42.29157 
1 1 1 25  9  19 o 170.3564 49.65420 7.712605       4.223124  10.13674       9.033802  7.034689       4.777269  195.2048 73.01984 164.0318 53.70499 31.17305       90.64283 
1 1 1 25  9  20 o 291.3562 31.75667 21.03686       4.281909  18.58617       5.155590  26.48633       7.687957  268.5723 42.19982 313.6451 54.05975 -45.07278      68.58047 
1 1 1 25  9  21 o 91.01089 40.37370 -0.7034894     3.443104  -0.5515854     4.739890  -0.8731920     5.009890  107.4087 47.52258 108.6241 48.41409 -1.215469      67.84039 
1 1 1 25  9  22 o 256.5824 31.40529 16.43748       3.711393  14.85135       5.013139  18.36121       5.520932  235.7514 46.85570 263.1158 46.29683 -27.36440      65.86997 
1 1 1 25  9  23 o 126.4371 46.06943 3.754642       3.555499  4.914921       4.876284  2.437563       5.195338  143.1811 53.63025 127.5928 52.87312 15.58831       75.31115 
1 1 1 25  9  24 o 294.8992 32.89882 21.98953       4.485980  24.35494       7.156461  20.45849       5.757565  294.9245 53.55698 275.6016 46.03450 19.32291       70.62241 
1 1 1 25  9  25 o 212.6598 41.90836 12.17811       4.043248  7.826993       6.344683  15.15344       5.246581  165.6421 61.34499 232.3732 49.51297 -66.73111      78.83363 
1 1 1 25  9  26 o 234.1067 37.62200 14.51595       4.002775  13.06778       6.467645  15.41500       5.095986  202.8078 62.02671 233.5983 47.98123 -30.79051      78.41882 
1 1 1 25  9  27 o 114.1351 50.43581 0.8510702      5.322604  0.000000       0.000000  0.8510702      5.322604  ?        ?        114.1351 50.43581 0.000000       50.43581 
1 1 1 25  9  28 o 159.8765 49.59170 7.781448       4.117780  8.635553       5.777318  6.899525       5.870645  162.2818 58.78702 149.6763 58.15423 12.60556       82.69116 
1 1 1 25  11 0  o 271.2241 25.53422 17.61084       3.219419  24.72652       6.435904  15.23605       3.718031  317.0628 44.36652 250.7116 32.27553 66.35120       54.86436 
1 1 1 25  11 1  o 500.2495 18.48901 59.14074       4.350805  58.76933       8.286612  59.28209       5.112115  494.1982 35.89056 500.3944 21.71795 -6.196259      41.94999 
1 1 1 25  11 2  o 219.0412 33.14481 11.70413       3.308403  13.74554       6.730122  11.05363       3.799130  231.5661 60.95230 211.2102 39.69578 20.35591       72.73883 
1 1 1 25  11 3  o 711.1531 17.72159 119.4866       5.928366  127.0511       11.43185  116.7040       6.933541  729.1786 33.32833 702.1887 20.99094 26.98987       39.38778 
1 1 1 25  11 4  o 502.7388 39.04527 61.11772       9.161355  61.11772       9.161355  0.000000       0.000000  502.7388 39.04527 ?        ?        0.000000       39.04527 
1 1 1 25  11 5  o 182.4887 45.16463 8.385040       3.856147  0.000000       0.000000  8.385040       3.856147  ?        ?        182.4887 45.16463 0.000000       45.16463 
1 1 1 25  11 6  o 1166.840 18.99073 322.0721       10.42371  310.3448       19.02450  327.1030       12.46054  1137.277 35.56130 1174.541 22.55275 -37.26355      42.10977 
1 1 1 25  11 7  o 888.7921 15.32219 186.5305       6.406053  195.0229       9.360546  179.0491       8.785797  906.9289 21.94111 869.1356 21.48940 37.79333       30.71167 
1 1 1 25  11 8  o 273.0990 23.64812 17.84613       3.008003  21.86058       4.307630  14.02571       4.202244  300.8112 30.88021 238.1725 38.84698 62.63864       49.62534 
1 1 1 25  11 9  o 408.3719 18.76760 39.48870       3.605238  44.42439       5.311326  35.27157       4.909502  430.9758 26.32499 383.5690 27.38986 47.40680       37.98960 
1 1 1 25  11 10 o 599.8540 21.33056 85.42336       6.018899  85.76101       8.148097  85.01785       8.929483  598.7119 28.93137 594.1590 32.06754 4.552917       43.18971 
1 1 1 25  11 11 o 309.0271 26.00435 22.95220       3.745037  23.23552       4.557671  22.36326       6.571155  309.3410 31.77238 297.3654 48.66013 11.97559       58.11448 
1 1 1 25  11 12 o 592.9123 16.76441 83.24453       4.675715  87.41714       6.715796  79.31921       6.513751  605.5999 23.57450 576.7260 24.01001 28.87396       33.64874 
1 1 1 25  11 13 o 446.6180 19.17991 47.36835       4.029509  53.47308       5.930775  42.13409       5.491693  471.6487 26.84251 418.0554 28.08873 53.59329       38.85225 
1 1 1 25  11 14 o 158.2554 40.64540 6.397145       3.041648  5.182508       4.158121  7.795115       4.460902  147.0278 50.14275 173.5665 51.16002 -26.53865      71.63548 
1 1 1 25  11 15 o 198.2925 41.06218 10.05088       3.704098  13.53280       4.460700  2.317479       6.647815  230.2191 42.76431 142.7023 59.52710 87.51689       73.29571 
1 1 1 25  11 16 o 372.2361 23.78052 33.34571       4.142240  34.42331       6.557547  32.63026       5.343219  371.8423 38.02477 365.1506 31.41305 6.691620       49.32203 
1 1 1 25  11 17 o 155.7295 42.39058 6.285983       3.188617  4.975965       4.500101  7.606871       4.518730  145.2611 51.97603 169.9849 51.81728 -24.72382      73.39304 
1 1 1 25  11 18 o 109.1567 43.14964 1.944022       3.279392  -0.5496857     4.542162  4.659304       4.739661  106.0056 46.73020 143.3373 53.03358 -37.33164      70.68432 
1 1 1 25  11 19 o 345.2926 24.79156 28.89157       4.000000  31.78896       5.473140  25.56966       5.860404  358.4264 32.82602 317.2916 40.16383 41.13480       51.87177 
1 1 1 25  11 20 o 185.9932 47.83160 9.273829       4.208432  10.28835       7.544093  8.815490       5.070735  192.2820 67.44598 179.8274 54.90744 12.45462       86.97003 
1 1 1 25  11 21 o 348.1232 24.69761 29.46039       4.018178  28.81727       5.527877  30.18090       5.851002  338.7324 35.20661 345.9145 36.50927 -7.182129      50.71915 
1 1 1 25  11 22 o 103.7488 42.63091 1.368155       3.339493  6.409713       4.688826  -3.822020      4.757433  155.7137 53.24589 92.17918 43.26491 63.53447       68.60741 
1 1 1 25  11 23 o 236.5288 38.00928 14.50283       4.085827  14.75922       6.479247  14.33357       5.264521  224.1202 60.18547 227.4893 50.51189 -3.369034      78.57317 
1 1 1 25  11 24 o 250.7644 66.73043 19.64626       8.009841  0.000000       0.000000  19.64626       8.009841  ?        ?        250.7644 66.73043 0.000000       66.73043 
1 1 1 25  11 25 o 154.5235 47.24719 6.692349       3.752952  19.14982       6.408690  0.1906521      4.629858  256.0547 54.85845 106.9902 47.17093 149.0645       72.35016 
1 1 1 25  11 26 o 148.4819 49.69120 6.304574       4.082808  14.97919       5.916082  -1.583829      5.641616  221.1162 56.62952 106.6177 49.02399 114.4985       74.90163 
1 1 1 25  11 27 f 275.9056 35.53330 20.21853       4.504567  20.26457       6.367525  20.17241       6.373318  257.8790 54.21194 257.0575 54.40334 0.8214417      76.80272 
1 1 1 25  13 0  o 315.5910 23.00019 23.76484       3.390984  23.16290       6.643444  23.97692       3.943362  304.4872 47.97010 316.2139 26.76156 -11.72672      54.93006 
1 1 1 25  13 1  o 282.1847 26.76926 19.12573       3.510835  9.039834       6.856701  22.70959       4.087272  192.5166 64.39597 307.2770 28.60568 -114.7604      70.46365 
1 1 1 25  13 2  o 322.2731 24.12526 24.80995       3.630805  21.54578       6.930552  26.04470       4.262561  291.8964 52.39989 329.4334 27.76521 -37.53705      59.30140 
1 1 1 25  13 3  o 124.6498 44.03694 3.357420       3.220543  0.2778538      6.964882  4.194937       3.632166  138.3502 59.44766 136.1957 46.85348 2.154465       75.69196 
1 1 1 25  13 4  o 606.5027 21.37885 87.23356       6.099388  0.000000       0.000000  87.23356       6.099388  ?        ?        606.5027 21.37885 0.000000       21.37885 
1 1 1 25  13 5  o 141.1357 44.26740 4.836823       3.270817  -10.65993      6.652111  9.778000       3.756248  96.38047 46.78527 197.2223 41.78738 -100.8418      62.72995 
1 1 1 25  13 6  o 477.8735 20.46109 54.14682       4.599505  47.14626       8.948369  56.66049       5.362058  437.6038 44.07010 488.2473 23.34653 -50.64352      49.87218 
1 1 1 25  13 7  o 726.3076 18.37062 124.9213       6.276443  149.3163       13.37098  118.0268       7.108238  786.4443 36.14315 705.1180 21.43043 81.32623       42.01893 
1 1 1 25  13 8  o 108.8321 40.17838 2.328503       2.717411  1.460181       4.018702  3.059991       3.688495  115.1650 46.97890 125.1244 46.68723 -9.959396      66.23228 
1 1 1 25  13 9  o 212.0424 29.51007 10.97647       2.863697  14.03294       4.099998  8.065022       4.001555  237.7665 37.93234 177.5938 47.12131 60.17265       60.49198 
1 1 1 25  13 10 o 94.19367 39.73090 0.3779784      3.012774  1.302639       3.746899  -1.313318      5.067464  110.6196 45.27061 109.9574 48.86962 0.6622162      66.61583 
1 1 1 25  13 11 o 255.2283 26.00209 15.74036       3.078210  12.87281       4.354008  18.60590       4.352486  225.4675 42.61360 275.1660 34.37582 -49.69847      54.75048 
1 1 1 25  13 12 o 659.1377 16.27603 102.9373       5.046543  99.75613       7.131376  106.1284       7.142416  646.3380 23.45548 666.9527 22.76569 -20.61475      32.68694 
1 1 1 25  13 13 o 148.1582 40.70389 5.593963       2.924053  9.135299       4.038146  1.690325       4.239682  187.6847 46.07806 118.0346 48.21318 69.65009       66.69106 
1 1 1 25  13 14 o 167.9206 38.50898 7.202793       2.977029  4.758722       3.976027  10.32125       4.491197  141.5007 49.00157 198.4076 48.52341 -56.90697      68.96141 
1 1 1 25  13 15 o 412.9800 21.92960 40.88850       4.244923  37.00951       6.204595  44.30183       5.820275  387.5081 34.39548 426.8758 29.15941 -39.36774      45.09235 
1 1 1 25  13 16 o 372.4001 24.82177 33.49205       4.323311  37.69601       5.287123  25.00892       7.510489  393.4571 28.76561 306.8964 53.99600 86.56067       61.18029 
1 1 1 25  13 17 o 291.5639 29.51100 20.85281       3.991757  24.56897       5.785962  17.47751       5.514231  311.4325 40.45016 258.6783 47.04965 52.75418       62.04744 
1 1 1 25  13 18 o 142.9996 55.62550 4.157943       5.376051  8.281808       8.295527  1.171819       7.059040  182.4199 69.58037 137.7195 59.51377 44.70044       91.56046 
1 1 1 25  13 19 o 249.7300 29.92434 15.42119       3.445307  10.80155       4.501508  21.95436       5.353233  200.8994 48.24128 293.5939 39.78630 -92.69453      62.53136 
1 1 1 25  13 20 o 125.6509 44.04254 3.768121       3.216642  2.398421       4.327908  5.458483       4.807897  121.6978 49.07574 148.9139 53.67694 -27.21612      72.72992 
1 1 1 25  13 21 o 207.4326 46.84087 11.58842       4.462470  3.807967       8.151064  14.91853       5.332621  154.3029 65.23232 234.2419 49.92244 -79.93893      82.14320 
1 1 1 25  13 22 o 149.3714 46.68352 5.968350       3.641248  0.1170333      5.307106  11.17278       5.005155  115.1619 50.64862 199.5455 52.58307 -84.38367      73.00864 
1 1 1 25  13 23 o 101.1459 43.15633 0.7225993      3.624379  -3.106421      5.694506  3.329917       4.699040  103.8972 48.29134 128.8192 51.42032 -24.92204      70.54150 
1 1 1 25  13 24 o 123.7904 46.40463 3.623568       3.652271  5.214031       5.844418  2.604489       4.678250  146.0441 57.64423 122.4050 50.39593 23.63908       76.56766 
1 1 1 25  13 25 o 290.3460 52.29611 24.36088       6.879868  24.36088       6.879868  0.000000       0.000000  290.3460 52.29611 ?        ?        0.000000       52.29611 
1 1 1 25  13 26 o 136.6980 49.06485 5.197449       4.013082  5.008918       5.694444  5.383472       5.656456  139.6254 56.29720 141.9435 56.49238 -2.318130      79.75440 
1 1 1 25  15 0  o 293.3791 51.43876 21.92331       6.840045  21.92331       6.840045  0.000000       0.000000  293.3791 51.43876 ?        ?        0.000000       51.43876 
1 1 1 25  15 1  o 288.2975 24.22134 19.93002       3.254356  24.58383       6.685307  18.48473       3.725575  313.0372 46.83952 276.3887 29.09202 36.64844       55.13879 
1 1 1 25  15 2  o 213.2366 35.95200 11.26715       3.477969  0.000000       0.000000  11.26715       3.477969  ?        ?        213.2366 35.95200 0.000000       35.95200 
1 1 1 25  15 3  o 632.6808 20.83957 95.03683       6.202158  0.000000       0.000000  95.03683       6.202158  ?        ?        632.6808 20.83957 0.000000       20.83957 
1 1 1 25  15 4  o 93.60744 39.24939 0.4659810      2.911989  9.123069       6.864302  -1.433898      3.215685  191.4086 64.42964 84.99282 38.26329 106.4158       74.93502 
1 1 1 25  15 5  o 365.1684 20.46882 31.75764       3.501884  41.40904       8.213275  29.61329       3.871412  408.9838 43.35242 351.8763 23.52446 57.10748       49.32376 
1 1 1 25  15 6  o 109.7418 41.88787 2.143186       3.007716  5.386445       7.009509  1.411283       3.329840  165.5753 63.76352 106.7290 43.04412 58.84631       76.93233 
1 1 1 25  15 7  o 169.4908 41.38368 7.303882       3.270816  11.87872       7.566013  6.252398       3.627276  212.4434 67.41543 157.2776 46.06869 55.16580       81.65270 
1 1 1 25  15 8  o 159.2305 43.18976 6.454983       3.316912  1.560939       6.925180  7.911944       3.778516  142.4607 60.17119 175.6203 45.40402 -33.15964      75.37968 
1 1 1 25  15 9  o 191.3747 46.92865 9.457714       4.192345  9.809752       7.167892  9.274673       5.168582  195.4545 65.83876 188.5961 54.92083 6.858322       85.73820 
1 1 1 25  15 10 o 382.9056 19.08265 34.83832       3.437160  39.00112       4.985380  31.06686       4.745263  402.4326 26.48311 358.3466 28.38282 44.08600       38.81932 
1 1 1 25  15 11 o 389.5544 19.14257 36.08298       3.507823  40.94347       5.055601  31.57066       4.871160  412.2391 26.20690 360.8134 28.94353 51.42569       39.04522 
1 1 1 25  15 12 o 350.0696 33.13560 30.05917       5.391626  37.33651       8.825136  25.72533       6.810385  380.8707 50.50323 317.0904 47.08841 63.78030       69.04993 
1 1 1 25  15 13 o 157.1768 38.88319 6.331786       2.859055  7.839037       3.947611  4.668965       4.146334  173.2436 47.17028 141.3222 49.96286 31.92139       68.71188 
1 1 1 25  15 14 o 183.9681 39.24150 8.670238       3.292323  19.54816       5.030822  0.5215313      4.354220  278.4723 39.51324 110.7088 47.27112 167.7635       61.61051 
1 1 1 25  15 15 o 600.4874 17.23629 85.73225       4.868744  83.49895       6.700604  88.23017       7.086475  589.5628 24.16098 605.6566 24.87337 -16.09375      34.67618 
1 1 1 25  15 16 o 296.9408 24.78799 21.36017       3.430771  17.36940       4.547147  26.63418       5.227340  262.4030 37.93992 327.6377 34.43211 -65.23465      51.23483 
1 1 1 25  15 17 o 80.47663 37.30500 -2.474723      3.363612  -1.556468      3.959076  -4.857313      6.377301  93.46478 42.23133 107.3902 50.30434 -13.92542      65.68114 
1 1 1 25  15 18 o 194.1462 40.66103 9.784768       3.594442  7.705276       4.253505  14.97919       6.722595  169.8277 49.92784 230.4516 61.04274 -60.62383      78.86066 
1 1 1 25  15 19 o 313.1059 24.59942 23.82835       3.593973  27.86555       4.964487  19.38254       5.209663  335.2099 31.86724 274.0023 41.73761 61.20752       52.51237 
1 1 1 25  15 20 o 142.5964 43.04887 5.326164       3.129884  8.529348       4.271692  1.613195       4.599066  176.9107 49.42434 118.1282 49.41407 58.78252       69.88931 
1 1 1 25  15 21 o 195.5614 39.98870 10.05691       3.554558  9.143877       5.430311  10.74140       4.701826  179.7352 57.12164 196.8633 50.52051 -17.12810      76.25748 
1 1 1 25  15 22 o 241.1171 34.50607 14.87897       3.802143  14.37277       5.882354  15.24220       4.982960  223.0156 56.11773 236.8236 46.38893 -13.80794      72.80887 
1 1 1 25  15 23 o 229.8900 35.59066 13.71788       3.724425  6.774673       5.691568  18.91756       4.925385  156.9705 58.10815 267.2535 40.44280 -110.2830      70.79673 
1 1 1 25  15 24 o 172.0409 42.05702 8.158957       3.375030  9.236029       5.755860  7.594593       4.166459  173.9891 58.99659 162.3962 49.80342 11.59293       77.20737 
1 1 1 25  15 25 o 163.9875 47.93528 7.841340       3.930764  7.173009       5.486114  8.546374       5.634747  155.1363 57.11959 165.8111 58.28222 -10.67476      81.60554 
1 1 1 25  17 0  o 212.8042 32.00970 11.16272       3.105059  13.07372       6.442286  10.58444       3.543852  221.3810 60.25138 205.2548 38.10690 16.12624       71.29071 
1 1 1 25  17 1  o 470.3070 21.38031 52.65129       4.730040  0.000000       0.000000  52.65129       4.730040  ?        ?        470.3070 21.38031 0.000000       21.38031 
1 1 1 25  17 2  o 232.3556 34.25279 13.34134       3.631551  0.000000       0.000000  13.34134       3.631551  ?        ?        232.3556 34.25279 0.000000       34.25279 
1 1 1 25  17 3  o 290.7703 19.67512 20.17819       2.675305  18.73662       7.086863  20.41777       2.889071  266.2228 58.21239 292.1704 21.16439 -25.94763      61.94041 
1 1 1 25  17 4  o 513.6395 16.24859 62.49076       3.925937  70.51130       9.596896  60.87875       4.302412  535.8868 38.32339 506.5539 18.05581 29.33292       42.36383 
1 1 1 25  17 5  o 399.2810 22.20243 38.11358       4.153644  31.77765       8.007267  40.44614       4.858429  353.2076 49.55696 410.3822 25.29059 -57.17462      55.63728 
1 1 1 25  17 6  o 333.0583 21.31209 26.52522       3.321484  28.88823       8.066794  26.04281       3.644784  334.4085 53.05200 329.3702 23.68246 5.038300       58.09797 
1 1 1 25  17 7  o 117.8054 42.09578 3.025744       2.950906  8.168847       6.799319  1.832197       3.275463  181.6589 64.00661 109.1835 43.13535 72.47545       77.18488 
1 1 1 25  17 8  o 316.4505 27.79626 24.26688       4.095787  23.28478       7.828375  24.63704       4.806069  296.0771 58.28284 317.1193 32.68646 -21.04224      66.82286 
1 1 1 25  17 9  o 198.8870 39.19555 10.04172       3.536616  5.074317       7.435893  11.49388       4.020463  163.5995 64.87859 212.2013 41.76427 -48.60182      77.15884 
1 1 1 25  17 10 o 132.0779 45.52028 4.102209       3.429165  0.2035969      6.862602  5.399590       3.958838  133.6241 58.20879 147.7805 48.91321 -14.15640      76.03134 
1 1 1 25  17 11 o 488.9009 17.15029 56.76836       3.944224  54.40096       5.480757  59.31152       5.680558  475.5812 24.58293 497.3192 24.28211 -21.73801      34.55346 
1 1 1 25  17 12 o 303.6735 21.69781 22.14676       3.079092  23.30612       4.238346  20.85099       4.480745  308.9125 29.52662 290.5490 33.39086 18.36353       44.57321 
1 1 1 25  17 13 o 80.38704 35.99017 -1.003137      2.802060  -0.9655173     4.070937  -1.037005      3.862682  98.52072 43.79348 95.45267 42.52969 3.068054       61.04625 
1 1 1 25  17 14 o 543.3629 17.10593 70.18631       4.372260  65.59956       5.934835  75.63058       6.465857  522.5647 24.14345 560.9205 24.50504 -38.35577      34.40063 
1 1 1 25  17 15 f 115.0062 41.14483 2.945792       2.819892  -0.7587509     3.665102  8.320135       4.414499  94.23167 41.73581 176.8684 50.53786 -82.63674      65.54353 
1 1 1 25  17 16 o 292.5149 23.63340 20.70217       3.224173  19.42004       4.290897  22.36475       4.886230  279.4671 33.29523 299.1333 35.41214 -19.66617      48.60651 
1 1 1 25  17 17 o 288.4713 28.49246 20.42778       3.815830  20.81342       4.505952  19.45006       7.174710  288.8099 33.80657 264.4388 59.15790 24.37115       68.13619 
1 1 1 25  17 18 o 205.8916 38.00340 10.90527       3.545104  9.303719       4.068409  15.95720       7.225758  186.3767 46.54436 234.8785 63.76217 -48.50188      78.94296 
1 1 1 25  17 19 f 158.3403 40.85929 6.618225       3.063750  7.073106       4.214087  6.108217       4.462138  161.9346 50.15810 152.8218 51.94433 9.112808       72.20837 
1 1 1 25  17 20 o 180.6192 35.71814 8.442019       2.927225  4.661062       3.849422  13.62614       4.507465  136.4661 48.15206 226.1558 43.95311 -89.68971      65.19584 
1 1 1 25  17 21 o 165.9440 41.86366 7.415496       3.267668  4.322236       4.697738  10.31502       4.548248  136.4269 52.28369 191.9334 49.90886 -55.50650      72.28056 
1 1 1 25  17 22 o 208.1788 45.15142 11.90842       4.294288  0.000000       0.000000  11.90842       4.294288  ?        ?        208.1788 45.15142 0.000000       45.15142 
1 1 1 25  17 23 o 175.6799 41.44501 8.460677       3.369616  5.769917       5.302936  10.28283       4.363867  146.7505 55.71386 189.4310 48.70217 -42.68048      73.99957 
1 1 1 25  17 24 o 95.43552 42.03305 0.1013028      3.666858  2.586802       5.374071  -2.063912      5.015880  124.2201 52.76492 98.61253 45.65654 25.60760       69.77576 
1 1 1 25  19 0  o 196.8266 25.17702 9.436729       2.277661  0.000000       0.000000  9.436729       2.277661  ?        ?        196.8266 25.17702 0.000000       25.17702 
1 1 1 25  19 1  o 401.8043 22.96387 38.72187       4.322381  0.000000       0.000000  38.72187       4.322381  ?        ?        401.8043 22.96387 0.000000       22.96387 
1 1 1 25  19 2  o 193.2854 35.36585 9.383492       3.097033  10.78775       6.618736  8.989841       3.504338  200.5486 62.98266 187.3737 40.90586 13.17490       75.10063 
1 1 1 25  19 3  o 396.3928 15.56693 37.23648       2.902673  36.97979       7.886767  37.27670       3.121796  382.6765 44.65212 396.3731 16.74291 -13.69669      47.68791 
1 1 1 25  19 4  o 252.9280 21.00238 15.35497       2.476214  23.72771       7.556484  14.34771       2.620932  299.8046 55.62937 243.9099 23.11930 55.89462       60.24225 
1 1 1 25  19 5  o 286.9782 20.74948 19.73196       2.782200  16.79548       7.256672  20.23800       3.012399  247.9232 62.29876 290.2625 22.23138 -42.33925      66.14658 
1 1 1 25  19 6  o 334.8352 20.19151 26.80677       3.165430  24.94650       7.484193  27.21204       3.493260  308.5456 53.50457 336.8051 22.17268 -28.25946      57.91690 
1 1 1 25  19 7  o 131.7521 44.31713 4.165872       3.247621  7.395958       6.657884  3.157362       3.720226  174.3641 63.11680 124.7828 46.82303 49.58127       78.58833 
1 1 1 25  19 8  o 436.5587 19.34222 45.37906       3.972083  49.16766       8.860595  44.42621       4.443592  442.1151 43.15503 430.6443 22.00895 11.47086       48.44326 
1 1 1 25  19 9  o 207.8719 33.67540 10.78486       3.180251  18.15101       7.677994  9.259369       3.494074  256.2165 63.91607 190.0956 40.32392 66.12090       75.57303 
1 1 1 25  19 10 o 239.5797 30.14128 14.11441       3.321697  17.52676       7.295716  13.22209       3.730814  252.4901 61.90283 229.8137 35.66721 22.67638       71.44305 
1 1 1 25  19 11 o 319.2069 26.44588 24.70645       3.935231  37.81213       8.559216  21.19354       4.431365  383.1710 48.57761 293.1407 32.69292 90.03030       58.55434 
1 1 1 25  19 12 o 499.5633 18.19638 59.39862       4.276069  61.77171       6.572577  57.65698       5.630652  504.7947 27.78607 489.8685 24.43486 14.92615       37.00173 
1 1 1 25  19 13 f 174.8631 35.25878 7.764440       2.800125  3.834189       3.688594  13.10975       4.301673  130.1930 47.00212 225.7201 42.06085 -95.52708      63.07388 
1 1 1 25  19 14 o 312.3296 21.73435 23.47558       3.173325  21.26966       4.115011  26.71215       4.984462  294.1345 30.16798 328.7731 32.66175 -34.63861      44.46231 
1 1 1 25  19 15 o 343.3647 20.80299 28.32547       3.344234  33.11171       4.519121  22.53139       4.972201  369.1371 26.19548 299.7724 35.97924 69.36469       44.50515 
1 1 1 25  19 16 o 256.4979 28.57165 16.20611       3.388790  11.27052       3.958139  29.75624       6.558334  207.9040 41.91959 340.8426 41.77919 -132.9385      59.18406 
1 1 1 25  19 17 o 185.3041 34.44687 8.759676       2.892124  8.192801       3.901473  9.451156       4.308984  174.6647 46.61607 186.8208 48.57788 -12.15611      67.32658 
1 1 1 25  19 18 o 302.4505 35.96329 23.19546       5.016322  0.000000       0.000000  23.19546       5.016322  ?        ?        302.4505 35.96329 0.000000       35.96329 
1 1 1 25  19 19 o 283.1131 30.52259 20.02741       4.000629  22.24460       4.610469  13.26992       8.048895  296.7273 33.62429 207.2765 69.76791 89.45081       77.44775 
1 1 1 25  19 20 o 82.21462 36.83615 -0.8172727     2.941228  0.6976814      4.672180  -1.811745      3.785439  111.5101 48.30238 88.14809 40.39305 23.36199       62.96601 
1 1 1 25  19 21 o 258.5164 29.66798 16.83749       3.542481  28.46314       6.148548  11.06083       4.334134  328.1472 40.70633 199.0479 47.03470 129.0993       62.20345 
1 1 1 25  19 22 o 153.4176 41.14283 6.467153       3.030266  1.737812       4.511714  10.35394       4.090124  114.4646 48.46889 191.7990 45.93912 -77.33441      66.78051 
1 1 1 25  21 0  o 166.2965 32.28566 6.949903       2.434522  0.000000       0.000000  6.949903       2.434522  ?        ?        166.2965 32.28566 0.000000       32.28566 
1 1 1 25  21 1  o 451.1749 19.58342 48.51291       4.156261  38.55529       7.928637  52.28605       4.880590  390.0662 43.97821 467.5219 22.19224 -77.45575      49.26031 
1 1 1 25  21 2  o 308.8939 24.19885 23.02262       3.488080  25.96909       7.432478  22.19038       3.950092  315.0052 51.97141 301.8917 28.13975 13.11353       59.10053 
1 1 1 25  21 3  o 84.39253 33.37816 1.028125       1.963264  4.027943       6.881436  0.7623187      2.048398  153.2600 61.85469 82.76951 33.62666 70.49052       70.40423 
1 1 1 25  21 4  o 230.0511 21.43069 12.74489       2.292469  9.461951       7.034153  13.13502       2.424861  189.8152 65.20814 233.3355 22.36613 -43.52039      68.93726 
1 1 1 25  21 5  o 271.4963 20.38325 17.67507       2.584194  13.55529       7.273288  18.27028       2.764575  221.0888 65.37069 275.7679 21.48103 -54.67912      68.80961 
1 1 1 25  21 6  o 259.5820 23.77354 16.28005       2.870693  38.31748       7.757315  12.78322       3.090067  389.6078 43.04565 228.0581 29.49510 161.5498       52.18131 
1 1 1 25  21 7  o 318.8134 20.08633 24.32958       2.996955  29.12307       7.848699  23.51139       3.242658  334.0931 51.60413 312.7871 22.18242 21.30600       56.16980 
1 1 1 25  21 8  o 362.2416 19.89557 31.37930       3.377204  39.35791       8.691493  29.96045       3.665210  391.2752 48.24358 353.2293 22.17077 38.04596       53.09413 
1 1 1 25  21 9  o 449.8386 20.73806 48.32350       4.388278  47.14626       8.952018  48.69586       5.034680  430.7319 44.83920 449.8731 23.87648 -19.14120      50.80000 
1 1 1 25  21 10 o 230.6950 29.70954 13.11156       3.149139  13.78716       7.088275  12.94541       3.515092  222.0571 64.21632 227.7193 33.84389 -5.662140      72.58887 
1 1 1 25  21 11 f 363.8953 32.10020 32.58044       5.438515  0.000000       0.000000  32.58044       5.438515  ?        ?        363.8953 32.10020 0.000000       32.10020 
1 1 1 25  21 12 o 110.6700 43.05817 2.179025       3.221761  -7.024376      6.543478  5.124054       3.701513  102.3719 48.83403 142.8888 47.29694 -40.51692      67.98355 
1 1 1 25  21 13 o 322.0910 27.34823 25.31921       4.104418  25.04459       8.581274  25.40067       4.673688  298.8015 63.03479 320.8040 31.37220 -22.00253      70.41022 
1 1 1 25  21 14 o 269.2007 23.93665 17.59912       2.999535  21.22758       4.065966  13.26647       4.443036  293.3985 29.87715 225.2957 43.49872 68.10275       52.77104 
1 1 1 25  21 15 o 242.6751 29.01187 14.57236       3.246190  11.79713       3.823847  21.73306       6.142267  213.5623 39.51883 286.8282 47.16343 -73.26584      61.53151 
1 1 1 25  21 16 o 427.2091 18.61279 43.67098       3.740427  38.07637       5.020844  50.64837       5.607103  394.2572 27.23952 455.5553 26.27697 -61.29813      37.84799 
1 1 1 25  21 17 o 156.9173 37.25037 6.448149       2.708478  9.263134       3.639016  2.951995       4.055470  186.4018 42.45141 122.6252 48.13973 63.77657       64.18376 
1 1 1 25  21 18 o 250.1358 34.33902 15.96154       3.933870  15.96154       3.933870  0.000000       0.000000  250.1358 34.33902 ?        ?        0.000000       34.33902 
1 1 1 25  21 19 f 207.6341 33.52337 11.08390       3.162736  13.37991       5.055299  9.607241       4.054157  218.0119 50.31584 186.2520 46.43480 31.75986       68.46805 
1 1 1 25  21 20 o 96.51715 42.12020 0.1850466      3.607786  4.586802       4.555508  -7.220572      5.908870  136.0006 51.63708 91.89065 44.48216 44.10996       68.15461 
1 1 1 25  23 0  o 404.2989 15.54706 38.79533       2.956788  24.94650       7.052814  41.74841       3.256814  308.4131 50.35160 419.1609 16.51744 -110.7477      52.99160 
1 1 1 25  23 1  o 255.3432 27.01007 15.91018       3.195037  8.980381       6.417944  18.19350       3.683994  183.9828 62.29781 272.4362 29.20163 -88.45340      68.80227 
1 1 1 25  23 2  o 293.9292 24.85611 20.91918       3.404514  4.892985       6.752739  26.38115       3.942208  156.8248 61.94211 330.0330 25.59308 -173.2081      67.02112 
1 1 1 25  23 3  o 312.0203 16.98832 23.20678       2.484068  15.30321       7.056309  24.32482       2.653956  234.3772 62.75303 319.2793 17.74063 -84.90216      65.21252 
1 1 1 25  23 4  o 519.7345 14.12053 63.99786       3.452246  43.60880       8.505126  68.01971       3.777419  414.0750 44.35507 535.5690 14.99376 -121.4940      46.82077 
1 1 1 25  23 5  o 426.2232 16.29812 43.14653       3.267713  35.55292       8.216622  44.57319       3.561472  370.9290 48.23161 432.8946 17.48952 -61.96558      51.30470 
1 1 1 25  23 6  o 358.2826 16.38358 30.49402       2.761238  33.14507       7.636096  30.09524       2.961646  359.1042 46.28164 355.6370 17.70341 3.467194       49.55200 
1 1 1 25  23 7  o 154.3973 33.72479 6.055188       2.380829  0.000000       0.000000  6.055188       2.380829  ?        ?        154.3973 33.72479 0.000000       33.72479 
1 1 1 25  23 8  o 131.2691 40.20243 4.354648       2.715958  4.649228       6.904629  4.300725       2.954095  155.6069 62.25483 131.3123 42.17318 24.29460       75.19469 
1 1 1 25  23 9  o 273.5453 23.09328 18.09247       2.943780  10.98989       7.312388  19.46620       3.215885  198.8915 66.50151 283.3822 24.36135 -84.49074      70.82320 
1 1 1 25  23 10 o 94.46317 39.34826 0.7638483      2.898798  0.000000       0.000000  0.7638483      2.898798  ?        ?        94.46317 39.34826 0.000000       39.34826 
1 1 1 25  23 11 o 359.4342 20.37365 31.02208       3.430582  33.94769       7.933072  30.34913       3.804729  360.2794 48.00393 354.5353 22.93655 5.744080       53.20209 
1 1 1 25  23 12 o 248.8336 26.07128 15.15648       3.006375  15.91261       6.856941  14.97653       3.345028  236.5717 61.16556 246.0161 29.49246 -9.444382      67.90457 
1 1 1 25  23 13 o 111.4477 40.76630 2.722416       2.787945  10.35077       6.689551  1.118940       3.066992  191.0349 63.59992 98.98943 40.78583 92.04547       75.55418 
1 1 1 25  23 14 o 137.9867 49.20232 4.676487       4.029296  2.837693       6.174358  6.040429       5.317693  137.5407 57.37061 154.5177 56.33487 -16.97694      80.40525 
1 1 1 25  23 15 o 258.6291 23.87913 16.34169       2.872324  14.54281       3.958258  18.34252       4.174524  238.0712 36.50997 269.4169 33.67466 -31.34567      49.66851 
1 1 1 25  23 16 o 216.8797 27.90253 11.72501       2.780614  13.72631       3.896644  9.648559       3.969123  230.2263 37.25298 188.2703 45.35484 41.95604       58.69281 
1 1 1 25  23 17 o 141.0777 38.10305 5.285280       2.588127  9.544466       3.628590  0.8745515      3.692579  188.2104 42.04533 102.7588 43.69541 85.45163       60.63909 
1 1 1 25  25 0  o 433.1595 15.53234 44.58518       3.164856  25.49049       7.359342  48.91782       3.505574  308.6094 52.57934 453.4415 16.43496 -144.8321      55.08807 
1 1 1 25  25 1  o 107.7703 40.60743 2.318843       2.803735  6.932224       5.872931  0.9570359      3.190826  165.3799 59.35569 99.62647 41.37264 65.75343       72.35188 
1 1 1 25  25 2  o 84.37253 36.84322 -0.2847776     2.764256  -2.776457      5.700819  0.4811332      3.160679  107.8642 49.48003 95.58873 40.52710 12.27551       63.95872 
1 1 1 25  25 3  o 90.35967 33.79815 1.588335       1.935348  2.156659       5.444032  1.506120       2.070607  130.0512 54.02686 90.99390 34.74957 39.05726       64.23733 
1 1 1 25  25 4  o 83.18113 34.39638 0.6213441      2.192019  -14.98217      5.335984  3.789114       2.404253  71.20830 35.78357 122.7786 37.86236 -51.57030      52.09628 
1 1 1 25  25 5  o 267.5755 19.02911 17.17941       2.379545  18.55827       6.196305  16.94089       2.577156  262.9202 51.94247 265.1844 20.82722 -2.264191      55.96242 
1 1 1 25  25 6  o 116.0445 33.71696 3.400017       1.949988  2.114447       5.211234  3.609326       2.102747  127.6783 52.93498 119.4515 35.10076 8.226845       63.51516 
1 1 1 25  25 7  o 235.9846 20.62708 13.43766       2.266758  17.28597       6.085338  12.81768       2.442537  252.4861 52.92853 229.7593 22.90479 22.72679       57.67199 
1 1 1 25  25 8  o 364.8499 17.69602 31.75032       3.037100  19.17063       6.827126  34.85404       3.391130  263.3123 56.78829 381.9010 18.87662 -118.5887      59.84344 
1 1 1 25  25 9  o 209.7581 26.55493 10.83865       2.561507  17.53865       6.965818  9.790995       2.754503  248.7405 60.18496 197.7597 30.59786 50.98080       67.51636 
1 1 1 25  25 10 o 75.14484 33.54740 -0.7488269     2.416130  -3.831748      5.724737  -0.8065665E-01 2.665127  103.1860 48.11336 84.02187 36.43823 19.16414       60.35429 
1 1 1 25  25 11 o 311.4875 20.57585 23.40296       2.997880  9.512486       6.708770  26.86872       3.351069  183.6465 63.64813 333.4815 21.47622 -149.8351      67.17375 
1 1 1 25  25 12 o 279.6769 22.24887 18.98981       2.902875  21.07016       6.838667  18.53258       3.206047  275.0653 54.77744 275.1349 25.04587 -0.6961060E-01 60.23174 
1 1 1 25  25 13 o 83.82030 36.65992 -0.2093214     2.746447  0.9765161      5.677732  -0.5715493     3.138002  122.6454 53.18645 86.91989 38.55188 35.72549       65.68901 
1 1 1 25  25 14 o 187.8755 31.54421 8.988263       2.688979  3.240191       6.517942  10.16723       2.951890  139.7618 58.66750 199.5967 32.56255 -59.83488      67.09840 
1 1 1 25  27 0  o 177.4590 29.68387 7.916421       2.390401  5.870987       5.279629  8.443831       2.680925  153.0349 56.08133 182.3456 32.44413 -29.31061      64.78994 
1 1 1 25  27 1  o 324.7043 22.18188 25.51766       3.367822  22.82105       5.858478  26.84865       4.115886  295.6107 43.42468 331.0676 26.65462 -35.45688      50.95264 
1 1 1 25  27 2  o 332.0426 22.56923 26.70098       3.504242  25.17836       6.179566  27.42269       4.254424  310.7731 43.46024 334.3302 27.28980 -23.55710      51.31789 
1 1 1 25  27 3  o 251.6425 24.68154 15.47670       2.884027  15.93936       5.601089  15.30978       3.364289  241.8774 50.84190 248.3683 29.36392 -6.490829      58.71234 
1 1 1 25  27 4  o 77.40652 33.30796 0.3118149E-01  2.192125  -0.5960167     4.821659  0.1946011      2.461196  107.4919 47.72667 83.05134 35.50270 24.44060       59.48341 
1 1 1 25  27 5  o 81.90343 35.54525 -0.9412308E-01 2.539768  2.195303       5.002935  -0.8889895     2.947872  125.1843 51.88076 82.52304 36.93285 42.66130       63.68398 
1 1 1 25  27 6  o 280.3296 19.99118 18.95078       2.618913  12.98752       5.752218  20.51011       2.941460  214.2296 56.33170 291.0844 21.63668 -76.85474      60.34407 
1 1 1 25  27 7  o 84.36505 34.35662 0.8629426      2.144743  8.962545       5.481084  -0.6014481     2.330575  178.6743 57.45213 74.58747 33.14613 104.0868       66.32807 
1 1 1 25  27 8  f 68.92429 30.95664 -0.7863977     2.090678  -0.7018431     5.251403  -0.8023236     2.279079  110.7879 49.45900 72.18361 32.37782 38.60429       59.11443 
1 1 1 25  27 9  o 130.5427 35.79986 4.435809       2.264293  10.35969       6.026950  3.462261       2.443280  188.9991 60.18982 117.4688 38.40452 71.53026       71.39833 
1 1 1 25  27 10 o 216.0433 32.71770 11.86419       3.220934  11.86980       6.125163  11.86204       3.786770  200.7915 60.13343 212.6991 39.29471 -11.90756      71.83387 
1 1 1 26  0  0  o 154.3960 67.67626 8.140258       5.130065  8.140258       5.130065  8.140258       5.130065  154.3960 67.67626 154.3960 67.67626 0.000000       0.000000 
1 1 1 26  0  1  o 459.9360 23.60551 50.24099       5.076461  50.24099       5.076461  50.24099       5.076461  459.9360 23.60551 459.9360 23.60551 0.000000       0.000000 
1 1 1 26  0  2  o 102.3055 54.76954 3.558447       3.610272  3.558447       3.610272  3.558447       3.610272  102.3055 54.76954 102.3055 54.76954 0.000000       0.000000 
1 1 1 26  0  3  o 833.8134 20.93281 164.0885       8.198732  164.0885       8.198732  164.0885       8.198732  833.8134 20.93281 833.8134 20.93281 0.000000       0.000000 
1 1 1 26  0  4  o 369.0306 27.66417 32.65648       4.740254  32.65648       4.740254  32.65648       4.740254  369.0306 27.66417 369.0306 27.66417 0.000000       0.000000 
1 1 1 26  0  5  o 297.3184 33.21878 21.64248       4.497374  21.64248       4.497374  21.64248       4.497374  297.3184 33.21878 297.3184 33.21878 0.000000       0.000000 
1 1 1 26  0  6  f 703.2388 22.02161 116.8913       7.268685  116.8913       7.268685  116.8913       7.268685  703.2388 22.02161 703.2388 22.02161 0.000000       0.000000 
1 1 1 26  0  7  o 125.6998 61.46948 5.552109       4.300007  5.552109       4.300007  5.552109       4.300007  125.6998 61.46948 125.6998 61.46948 0.000000       0.000000 
1 1 1 26  0  8  o 189.9294 68.92052 11.43876       5.657958  11.43876       5.657958  11.43876       5.657958  189.9294 68.92052 189.9294 68.92052 0.000000       0.000000 
1 1 1 26  0  9  o 171.4034 69.99274 9.821642       5.554240  9.821642       5.554240  9.821642       5.554240  171.4034 69.99274 171.4034 69.99274 0.000000       0.000000 
1 1 1 26  0  10 o 883.0042 22.82405 184.3157       9.466043  184.3157       9.466043  184.3157       9.466043  883.0042 22.82405 883.0042 22.82405 0.000000       0.000000 
1 1 1 26  0  11 o 967.9932 23.42393 221.5727       10.65189  221.5727       10.65189  221.5727       10.65189  967.9932 23.42393 967.9932 23.42393 0.000000       0.000000 
1 1 1 26  0  12 o 668.6611 24.27889 106.0373       7.613833  106.0373       7.613833  106.0373       7.613833  668.6611 24.27889 668.6611 24.27889 0.000000       0.000000 
1 1 1 26  0  13 o 508.3755 27.46237 61.70167       6.523587  61.70167       6.523587  61.70167       6.523587  508.3755 27.46237 508.3755 27.46237 0.000000       0.000000 
1 1 1 26  0  14 o 931.3755 35.02933 207.2830       15.29781  207.2830       15.29781  207.2830       15.29781  931.3755 35.02933 931.3755 35.02933 0.000000       0.000000 
1 1 1 26  0  15 o 354.8228 34.56818 30.81495       5.644029  30.81495       5.644029  30.81495       5.644029  354.8228 34.56818 354.8228 34.56818 0.000000       0.000000 
1 1 1 26  0  16 o 200.4240 60.96576 12.06258       5.018543  12.06258       5.018543  12.06258       5.018543  200.4240 60.96576 200.4240 60.96576 0.000000       0.000000 
1 1 1 26  0  17 o 277.2726 43.47528 19.77739       5.254292  19.77739       5.254292  19.77739       5.254292  277.2726 43.47528 277.2726 43.47528 0.000000       0.000000 
1 1 1 26  0  19 o 386.6493 47.97002 38.07967       8.363405  38.07967       8.363405  38.07967       8.363405  386.6493 47.97002 386.6493 47.97002 0.000000       0.000000 
1 1 1 26  0  20 o 111.9154 63.26253 4.407398       5.113517  4.407398       5.113517  4.407398       5.113517  111.9154 63.26253 111.9154 63.26253 0.000000       0.000000 
1 1 1 26  0  21 o 167.4780 68.01309 9.816909       5.252894  9.816909       5.252894  9.816909       5.252894  167.4780 68.01309 167.4780 68.01309 0.000000       0.000000 
1 1 1 26  0  22 o 283.2204 46.49947 21.12112       5.693167  21.12112       5.693167  21.12112       5.693167  283.2204 46.49947 283.2204 46.49947 0.000000       0.000000 
1 1 1 26  0  23 o 120.4099 71.73555 4.964329       7.141426  4.964329       7.141426  4.964329       7.141426  120.4099 71.73555 120.4099 71.73555 0.000000       0.000000 
1 1 1 26  0  24 o 609.6078 28.17498 89.88387       8.040171  89.88387       8.040171  89.88387       8.040171  609.6078 28.17498 609.6078 28.17498 0.000000       0.000000 
1 1 1 26  0  25 o 99.65645 60.56307 3.021319       5.297708  3.021319       5.297708  3.021319       5.297708  99.65645 60.56307 99.65645 60.56307 0.000000       0.000000 
1 1 1 26  0  26 o 73.30011 48.79454 -0.6502169     4.533434  -0.6502169     4.533434  -0.6502169     4.533434  73.30011 48.79454 73.30011 48.79454 0.000000       0.000000 
1 1 1 26  0  27 o 135.9055 75.29468 8.118312       7.066294  8.118312       7.066294  8.118312       7.066294  135.9055 75.29468 135.9055 75.29468 0.000000       0.000000 
1 1 1 26  0  28 o 88.29479 58.60222 0.2842152      6.458351  0.2842152      6.458351  0.2842152      6.458351  88.29479 58.60222 88.29479 58.60222 0.000000       0.000000 
1 1 1 26  0  29 o 185.4534 73.90467 13.48989       6.236731  13.48989       6.236731  13.48989       6.236731  185.4534 73.90467 185.4534 73.90467 0.000000       0.000000 
1 1 1 26  2  0  o 83.18636 36.98092 -1.041781      2.903598  -3.436386      5.890676  -0.2732528     3.337170  111.8358 50.91869 95.11792 41.01222 16.71787       65.38130 
1 1 1 26  2  1  o 511.1363 17.56708 61.64612       4.223821  73.36505       8.722329  58.05616       4.827624  554.2690 33.61240 495.7215 20.70267 58.54752       39.47650 
1 1 1 26  2  2  o 71.70860 33.09383 -2.056971      2.604275  -2.551733      3.690523  -1.566221      3.675527  86.94411 39.85682 91.99667 41.20157 -5.052567      57.32482 
1 1 1 26  2  3  o 451.1152 16.93381 48.00853       3.593450  46.42295       5.019320  49.67575       5.146892  442.2607 24.21870 457.5736 23.99557 -15.31293      34.09301 
1 1 1 26  2  4  o 286.0667 22.46096 19.46840       2.998192  20.17609       4.263791  18.77624       4.216768  289.6404 31.81880 279.1079 32.73911 10.53250       45.65398 
1 1 1 26  2  5  o 365.6126 19.84971 31.66767       3.401058  31.08051       4.745063  32.28801       4.877306  360.8803 28.17513 367.8181 28.40905 -6.937866      40.01140 
1 1 1 26  2  6  o 802.7290 15.45815 151.9717       5.837080  155.2146       8.310778  148.8147       8.200089  810.1553 21.80741 793.2440 21.97569 16.91138       30.95955 
1 1 1 26  2  7  o 497.7146 19.74463 58.53744       4.622731  47.41380       7.114891  66.66366       6.081194  444.5849 34.28551 530.4908 24.36922 -85.90591      42.06371 
1 1 1 26  2  8  o 405.9817 22.41375 39.13335       4.263877  38.58502       7.113970  39.44077       5.326687  399.5436 38.32122 406.5114 28.02700 -6.967834      47.47661 
1 1 1 26  2  9  o 763.1321 18.25200 137.6100       6.552083  139.0716       8.228200  135.0773       10.83156  766.1753 22.83008 752.9391 30.58171 13.23621       38.16351 
1 1 1 26  2  10 o 270.1029 30.46711 17.61414       3.803425  18.47097       4.881377  16.29013       6.067887  274.5447 38.88439 253.5799 52.59394 20.96481       65.40733 
1 1 1 26  2  11 o 374.3679 25.57948 33.47870       4.477667  37.23209       5.635375  27.05113       7.374527  393.6075 30.67847 329.3298 49.10395 64.27768       57.89963 
1 1 1 26  2  12 o 922.4303 19.86431 201.6095       8.619388  211.9798       15.76552  197.1881       10.29411  938.1836 35.72326 910.7100 24.02920 27.47357       43.05291 
1 1 1 26  2  13 o 331.5602 28.63923 26.48547       4.422920  26.95612       5.287945  25.38942       8.069612  332.8394 34.26360 314.2050 56.68267 18.63437       66.23383 
1 1 1 26  2  14 o 503.9341 20.00500 60.28674       4.742220  61.82077       6.687060  58.73474       6.726134  507.2824 28.13335 494.0702 29.06868 13.21225       40.45335 
1 1 1 26  2  15 o 377.6528 27.18021 34.35577       4.796239  18.87039       8.300467  42.11769       5.876600  263.4926 66.85878 417.2490 30.14352 -153.7565      73.33981 
1 1 1 26  2  16 o 96.67567 41.26991 0.2050602      3.317490  -3.953716      4.707858  4.307017       4.675587  93.15478 43.50146 142.0390 52.64991 -48.88419      68.29634 
1 1 1 26  2  17 o 215.3465 36.83266 11.66367       3.597034  15.39243       5.083563  7.924890       5.090394  244.2815 45.92521 174.5186 55.28809 69.76285       71.87418 
1 1 1 26  2  18 o 217.7964 36.29131 11.95548       3.587273  9.520812       5.139302  14.26874       5.009528  188.3552 54.74046 233.5819 47.21568 -45.22664      72.28996 
1 1 1 26  2  19 o 222.5351 36.61138 12.53998       3.699201  19.60220       5.501994  6.714041       4.997272  275.5897 43.91508 161.6525 54.97082 113.9372       70.35855 
1 1 1 26  2  20 o 220.4693 43.21164 12.69955       4.321218  13.27413       5.498758  11.77170       6.987595  220.2504 53.58484 203.3480 64.81470 16.90236       84.09685 
1 1 1 26  2  21 o 142.1634 46.42764 5.192472       3.571127  -0.1449665     5.075821  10.42405       5.025231  112.8554 49.58581 194.4450 53.33606 -81.58959      72.82504 
1 1 1 26  2  22 o 272.0044 36.10295 18.78406       4.505290  20.69102       5.682246  15.55589       7.393124  280.6136 44.53445 229.2940 65.36174 51.31960       79.09156 
1 1 1 26  2  23 o 117.7311 44.99315 2.885627       3.472891  2.145262       4.827213  3.679996       5.000170  122.8782 50.94625 134.5602 53.25270 -11.68203      73.69783 
1 1 1 26  2  24 o 356.8116 53.61347 35.40429       8.720509  0.000000       0.000000  35.40429       8.720509  ?        ?        356.8116 53.61347 0.000000       53.61347 
1 1 1 26  2  25 o 342.7888 26.88795 29.10586       4.300869  31.53168       6.107324  26.71933       6.057674  348.5614 37.85658 317.6911 41.52910 30.87027       56.19418 
1 1 1 26  2  26 o 220.7357 43.01305 13.32422       4.305706  19.37574       7.642986  10.51076       5.211359  246.0900 65.04080 187.2694 55.32368 58.82057       85.38744 
1 1 1 26  2  27 o 89.34283 42.58728 -4.392965      4.957236  -5.000000      7.192354  -3.843639      6.841945  107.3985 51.22249 108.0741 51.08057 -0.6756668     72.33926 
1 1 1 26  2  28 o 202.0768 50.13792 12.32336       4.743205  11.23960       6.852111  13.32045       6.572435  179.1928 64.13430 196.3739 62.88814 -17.18106      89.82275 
1 1 1 26  2  29 o 103.2651 48.36958 -1.909632      5.894883  -1.909632      5.894883  0.000000       0.000000  103.2651 48.36958 ?        ?        0.000000       48.36958 
1 1 1 26  4  0  o 455.0591 18.47891 48.88731       3.955610  56.24257       8.226468  46.67529       4.511371  484.1992 36.38370 444.3434 21.58344 39.85587       42.30388 
1 1 1 26  4  1  o 355.3581 21.03382 29.94665       3.500387  34.36386       7.020950  28.48549       4.038038  376.9183 40.21967 345.9589 24.98083 30.95944       47.34621 
1 1 1 26  4  2  o 307.3642 25.18815 22.51961       3.609836  22.90428       7.100063  22.38551       4.192086  303.8711 51.51103 305.6838 29.52065 -1.812744      59.37049 
1 1 1 26  4  3  o 87.47865 37.02172 0.1447546      2.629956  -2.666850      3.740173  2.894516       3.698811  87.07484 39.99305 125.0800 46.73635 -38.00514      61.51204 
1 1 1 26  4  4  o 838.7308 15.07537 165.8767       5.947850  179.7840       8.732908  153.8435       8.123207  872.0868 21.28776 806.6993 21.40654 65.38751       30.18955 
1 1 1 26  4  5  o 489.9715 25.30240 57.03035       5.811885  53.44828       8.792647  59.80975       7.745138  470.7480 40.08835 500.0660 33.11290 -29.31799      51.99558 
1 1 1 26  4  6  o 633.6241 17.84010 94.78954       5.317387  89.29846       8.704998  98.05796       6.715976  612.8243 30.19697 643.7871 22.17673 -30.96283      37.46551 
1 1 1 26  4  7  o 612.5375 18.22546 88.62052       5.251465  88.37694       8.594347  88.76566       6.633972  609.5145 29.97503 612.2706 23.03355 -2.756104      37.80273 
1 1 1 26  4  8  o 348.9440 21.59046 28.92835       3.526536  36.36204       5.207340  22.63073       4.792942  390.0181 28.58229 306.0332 33.86127 83.98486       44.31177 
1 1 1 26  4  9  o 812.7654 15.92118 155.9529       6.087090  161.3423       8.862922  151.1409       8.374702  825.0638 22.83600 798.6984 22.29037 26.36542       31.91150 
1 1 1 26  4  10 o 648.4971 19.30453 99.51029       5.888934  108.2873       7.600389  86.32581       9.315253  675.4081 23.92215 599.6495 33.15260 75.75854       40.88232 
1 1 1 26  4  11 o 426.2893 23.34670 43.28209       4.663857  43.67114       5.718111  42.50892       8.060933  426.8695 28.64260 416.8422 41.66794 10.02731       50.56299 
1 1 1 26  4  12 o 368.9489 22.55039 32.45486       3.894928  33.63572       5.352211  31.12549       5.678808  373.5022 30.73566 358.1750 34.11721 15.32718       45.92020 
1 1 1 26  4  13 o 344.9776 26.82102 28.59482       4.318252  29.17704       5.176308  27.26219       7.831285  346.9420 32.08033 327.2983 52.65028 19.64368       61.65387 
1 1 1 26  4  14 o 138.8753 44.92961 4.674492       3.348228  4.038888       4.650932  5.358288       4.824028  140.5850 52.43159 152.7238 53.90245 -12.13881      75.19672 
1 1 1 26  4  15 f 210.9501 36.69498 11.12535       3.509065  14.04284       5.004213  8.302990       4.921943  233.8039 47.12808 179.2275 53.95640 54.57645       71.64041 
1 1 1 26  4  16 o 210.3746 44.44340 11.38764       4.260322  13.60880       8.030605  10.51767       5.025871  222.5278 69.29288 199.6259 52.73377 22.90195       87.07671 
1 1 1 26  4  17 o 178.3721 42.27533 8.222350       3.492997  9.216146       4.955074  7.240680       4.924753  186.3202 53.63567 167.7366 54.50874 18.58362       76.47214 
1 1 1 26  4  18 o 436.5076 24.40462 45.94413       4.991032  41.11177       8.007895  49.01369       6.382299  402.6469 42.94147 447.8668 30.47540 -45.21988      52.65662 
1 1 1 26  4  19 f 346.3625 24.04196 29.01249       3.892888  31.24921       5.808304  27.18831       5.245382  354.0662 35.34587 330.6462 34.21965 23.41998       49.19670 
1 1 1 26  4  20 o 133.3969 45.07215 4.407411       3.359370  6.275559       5.003853  2.874475       4.532740  156.9318 54.93595 127.1469 50.58095 29.78496       74.67524 
1 1 1 26  4  21 o 232.8481 40.69590 14.04891       4.295241  16.65756       5.128399  7.919145       7.861338  251.6069 44.98110 176.2870 67.61687 75.31990       81.21170 
1 1 1 26  4  22 o 243.3320 33.56277 14.93841       3.739476  16.29123       5.201384  13.49109       5.379974  247.1867 46.43773 220.9102 52.53870 26.27649       70.11974 
1 1 1 26  4  23 o 251.2145 33.94186 16.00161       3.908276  18.46743       5.456426  13.40369       5.600671  262.9568 45.77468 217.6725 54.74903 45.28427       71.36370 
1 1 1 26  4  24 o 274.5220 31.75878 19.00021       4.025472  10.59116       5.373843  29.75186       6.076436  191.2737 56.08695 339.0294 38.80019 -147.7557      68.19971 
1 1 1 26  4  25 o 173.9260 49.24281 8.561018       4.211055  14.59869       6.997932  5.133597       5.272524  215.9851 64.18253 143.6964 55.31179 72.28862       84.72775 
1 1 1 26  4  26 o 112.1819 45.95423 2.155668       3.865571  -6.156362      6.317618  7.129852       4.887208  98.11840 47.11982 157.0436 54.33025 -58.92518      71.91699 
1 1 1 26  4  27 o 108.4918 44.68798 2.026839       3.680601  -0.4524376E-01 5.959362  3.304661       4.679844  114.7898 51.84481 124.3546 50.70834 -9.564812      72.52048 
1 1 1 26  4  28 o 124.2969 52.94213 3.008324       5.437240  3.008324       5.437240  0.000000       0.000000  124.2969 52.94213 ?        ?        0.000000       52.94213 
1 1 1 26  4  29 o 149.7968 59.08971 7.491083       6.137742  7.491083       6.137742  0.000000       0.000000  149.7968 59.08971 ?        ?        0.000000       59.08971 
1 1 1 26  6  0  o 489.3121 17.48677 56.51648       4.024990  65.24971       8.529066  54.01432       4.565322  521.8412 34.94706 478.0591 20.30114 43.78214       40.41576 
1 1 1 26  6  1  o 697.2029 15.98555 114.6711       5.242712  114.6552       10.48580  114.6765       6.053691  694.0203 32.11886 696.8717 18.46708 -2.851440      37.04934 
1 1 1 26  6  2  o 407.8789 20.24439 39.31749       3.884232  34.89893       7.706009  40.82248       4.497341  378.5247 44.10484 414.6735 23.14819 -36.14880      49.81039 
1 1 1 26  6  3  o 353.8756 23.34778 29.77069       3.864722  18.01724       6.933918  35.06743       4.654791  266.9961 56.94605 383.7439 25.93863 -116.7479      62.57528 
1 1 1 26  6  4  o 283.8781 22.57345 19.18943       2.989492  16.29618       4.239859  22.04994       4.215805  258.8928 35.77016 303.1100 29.95940 -44.21719      46.65908 
1 1 1 26  6  5  o 727.5920 16.92153 124.9612       5.791579  119.4412       9.307856  128.4486       7.398177  709.1580 27.90213 736.8947 21.34273 -27.73663      35.12892 
1 1 1 26  6  6  o 380.0680 21.06050 34.27615       3.750582  24.52735       5.661891  41.89894       5.006600  317.6154 38.69557 419.5270 25.49039 -101.9116      46.33688 
1 1 1 26  6  7  o 161.1975 38.53014 6.481871       2.881936  8.040690       4.070281  4.914764       4.081086  178.9279 47.54756 146.6274 49.67769 32.30048       68.76514 
1 1 1 26  6  8  o 378.5215 19.47828 33.97955       3.456494  32.40835       4.850586  35.60048       4.926745  367.9586 28.23914 385.9608 27.31249 -18.00214      39.28640 
1 1 1 26  6  9  o 222.8918 29.99100 12.05840       3.064711  14.66532       4.418518  9.641493       4.254448  243.6381 39.93755 195.2546 46.90682 48.38358       61.60566 
1 1 1 26  6  10 o 523.5502 17.43066 64.81638       4.292808  67.82656       6.263177  62.14934       5.895394  534.0784 24.92989 511.3313 24.50988 22.74713       34.96046 
1 1 1 26  6  11 o 1042.223 19.12151 257.2944       9.374588  258.0985       11.50706  255.7075       16.16562  1041.990 23.47640 1031.637 33.31164 10.35291       40.75299 
1 1 1 26  6  12 o 235.1114 36.00826 13.64032       3.855571  11.02669       4.574855  20.04756       7.162935  207.6630 47.82042 278.2982 56.64189 -70.63524      74.12891 
1 1 1 26  6  13 o 465.5228 19.55672 51.42886       4.282588  50.90257       5.951166  51.99413       6.167621  460.3237 27.61089 464.9931 28.33208 -4.669434      39.56094 
1 1 1 26  6  14 o 117.6777 43.00393 2.868998       3.101338  7.795866       4.390009  -2.039708      4.381910  174.1151 50.59022 97.78568 44.28404 76.32938       67.23427 
1 1 1 26  6  15 o 527.4513 18.44015 66.07381       4.575263  67.42769       6.484713  64.73183       6.456180  530.2990 25.99565 518.7454 26.54663 11.55365       37.15505 
1 1 1 26  6  16 o 345.6403 23.42783 28.71456       3.786634  30.49717       5.353133  26.92931       5.357088  352.7983 32.62558 330.3455 35.00740 22.45285       47.85339 
1 1 1 26  6  17 o 196.9608 52.63380 10.36791       4.969746  0.000000       0.000000  10.36791       4.969746  ?        ?        196.9608 52.63380 0.000000       52.63380 
1 1 1 26  6  18 o 290.7174 27.23915 20.61283       3.681636  25.96443       5.378233  15.89367       5.050452  322.5131 36.06816 247.3418 45.06786 75.17134       57.72368 
1 1 1 26  6  19 o 410.3736 21.98319 40.52311       4.228228  44.28322       6.086757  37.01657       5.877944  424.6034 30.68080 386.9671 32.59455 37.63635       44.76289 
1 1 1 26  6  20 o 406.7975 22.81137 39.94751       4.347540  34.12859       5.948682  46.61898       6.369574  369.7533 34.60345 434.7255 31.35822 -64.97220      46.69836 
1 1 1 26  6  21 o 155.4539 45.96076 6.415402       3.595444  2.065791       4.782280  12.07049       5.452921  122.9814 50.82574 208.2157 54.89291 -85.23429      74.80967 
1 1 1 26  6  22 o 99.29018 42.05806 0.6906650      3.399034  -3.573178      4.573351  5.952515       5.080462  90.99290 42.61579 152.8925 55.16724 -61.89964      69.71033 
1 1 1 26  6  23 o 111.4385 44.03034 2.257370       3.413090  2.920653       4.557219  1.410056       5.150774  125.8000 50.48941 120.7095 51.47413 5.090523       72.10247 
1 1 1 26  6  24 o 94.50916 42.13915 -0.6501551     3.799299  -3.103449      5.422642  1.715349       5.324735  101.1349 47.04638 122.8608 52.36248 -21.72591      70.39311 
1 1 1 26  6  25 o 160.1257 54.82855 7.312848       4.971773  0.000000       0.000000  7.312848       4.971773  ?        ?        160.1257 54.82855 0.000000       54.82855 
1 1 1 26  6  26 o 125.7622 46.42050 3.984931       3.627041  3.632581       5.664833  4.229734       4.721804  133.1429 55.19484 132.5767 51.97569 0.5662537      75.81519 
1 1 1 26  6  27 o 148.8244 49.32940 6.474247       4.025967  8.956600       6.156411  4.619501       5.321549  167.0623 60.65961 135.5998 54.51106 31.46254       81.55393 
1 1 1 26  6  28 o 129.7304 49.17371 4.642434       4.126837  0.8992272      5.814421  8.442331       5.858285  115.2655 51.70790 159.9173 59.00190 -44.65176      78.45337 
1 1 1 26  8  0  o 588.8402 19.22011 81.95258       5.323811  84.36386       9.455492  80.83336       6.441935  593.4276 34.01436 584.1092 23.44515 9.318359       41.31164 
1 1 1 26  8  1  o 646.5090 17.30570 98.69658       5.262997  102.2889       10.03110  97.33206       6.182256  654.9023 32.56137 641.5175 20.48657 13.38477       38.47002 
1 1 1 26  8  2  o 280.2077 25.65116 18.77969       3.343569  15.30024       6.478168  20.04315       3.903708  245.1663 57.21603 288.8857 29.12381 -43.71938      64.20179 
1 1 1 26  8  3  f 599.2129 17.08977 84.78125       4.817112  79.54816       9.574260  86.55496       5.574008  575.6655 35.52987 605.0789 19.58332 -29.41339      40.56942 
1 1 1 26  8  4  o 685.4510 20.76909 111.1657       6.696736  0.000000       0.000000  111.1657       6.696736  ?        ?        685.4510 20.76909 0.000000       20.76909 
1 1 1 26  8  5  o 195.4778 34.15454 9.390427       3.026304  5.175387       4.689161  12.39934       3.961862  152.4875 53.19166 224.1423 38.99159 -71.65475      65.95223 
1 1 1 26  8  6  o 481.4287 16.68947 54.74262       3.779584  55.53384       5.382648  53.97308       5.308402  483.8757 23.64791 477.0262 23.65659 6.849518       33.44934 
1 1 1 26  8  7  o 449.6927 17.25104 47.78896       3.649223  50.44270       5.189686  45.19352       5.132354  460.3751 24.04749 435.4483 25.16318 24.92676       34.80614 
1 1 1 26  8  8  o 510.8439 16.70160 61.67033       4.013428  62.10863       5.835541  61.27692       5.528580  511.3143 24.26185 508.1093 23.13061 3.205078       33.52108 
1 1 1 26  8  9  o 117.9979 41.25313 3.042878       2.821227  -2.418208      3.883230  9.147593       4.105692  89.82790 41.07001 189.8674 46.36939 -100.0396      61.94245 
1 1 1 26  8  10 o 863.2468 16.10773 176.1750       6.540917  173.4000       9.135507  179.0939       9.369435  854.2494 22.73415 868.0791 22.94483 -13.82971      32.30026 
1 1 1 26  8  11 o 737.7919 18.87907 129.0135       6.552151  146.8882       8.460561  102.2295       10.35661  785.8370 22.88745 650.4067 33.96823 135.4303       40.95944 
1 1 1 26  8  12 o 256.9995 32.38114 16.14809       3.827756  19.76415       4.875172  10.33591       6.180758  283.0059 37.54755 199.3904 60.56227 83.61555       71.25733 
1 1 1 26  8  13 o 115.6251 42.69050 2.696240       3.067994  6.030589       4.245049  -0.9498290     4.439046  156.1543 50.59756 104.1986 46.05160 51.95562       68.41683 
1 1 1 26  8  14 o 278.2427 26.59181 18.73110       3.438114  19.93314       4.823452  17.48961       4.901954  283.5568 37.04731 263.9051 40.80318 19.65170       55.11263 
1 1 1 26  8  15 o 302.0571 24.88899 22.01214       3.504951  25.97356       5.061646  18.36290       4.858113  325.1072 33.58137 270.5820 39.31872 54.52524       51.70754 
1 1 1 26  8  16 o 520.1599 20.45583 64.55006       5.005220  65.87396       8.078734  63.72530       6.376456  518.5133 33.29788 513.7507 26.47505 4.762634       42.54030 
1 1 1 26  8  17 o 176.5491 41.17302 8.076378       3.356547  1.822334       4.638627  14.95028       4.863072  121.6942 50.15192 240.1874 44.68647 -118.4932      67.17213 
1 1 1 26  8  18 o 138.4295 45.42780 4.806444       3.417438  11.62366       4.990408  -1.213643      4.689582  207.7086 51.36328 104.0580 46.57592 103.6506       69.33616 
1 1 1 26  8  19 o 154.5820 44.24541 6.272958       3.380668  8.257950       4.775573  4.278939       4.786419  174.9101 53.25866 139.7937 52.96508 35.11638       75.11182 
1 1 1 26  8  20 o 120.3480 46.76476 2.778220       3.796646  3.657213       4.555911  0.7803211      6.868614  133.0356 51.35756 133.1961 58.12233 -0.1604614     77.56161 
1 1 1 26  8  21 o 160.1208 45.33057 6.842266       3.568664  2.141866       4.863545  12.32472       5.252584  123.9812 51.24871 211.1164 52.97658 -87.13519      73.70853 
1 1 1 26  8  22 o 101.3525 44.00402 0.1640850      3.895577  0.9662940      4.591663  -1.896552      7.359138  113.5549 48.51605 124.4081 56.74717 -10.85324      74.65955 
1 1 1 26  8  23 o 143.1504 46.40580 5.437650       3.570506  10.35799       5.014963  0.3795689      5.084674  190.9586 53.62370 114.0852 49.88937 76.87339       73.24241 
1 1 1 26  8  24 o 113.4461 45.98384 2.191640       3.820876  2.274673       5.845907  2.129714       5.048450  129.2568 54.97136 122.7705 51.58872 6.486275       75.38731 
1 1 1 26  8  25 o 93.55505 41.03383 0.4476913E-02  3.462587  3.659334       5.461606  -2.451849      4.477422  133.4699 54.64313 92.58759 42.96198 40.88230       69.50974 
1 1 1 26  8  26 o 263.8179 42.20654 19.02324       5.061285  0.000000       0.000000  19.02324       5.061285  ?        ?        263.8179 42.20654 0.000000       42.20654 
1 1 1 26  8  27 o 288.3153 35.74247 22.10435       4.743605  19.98811       6.568284  24.41142       6.858034  253.1205 56.58532 284.8351 53.13894 -31.71458      77.62503 
1 1 1 26  8  28 o 191.3961 49.17901 11.22522       4.451536  16.28716       6.323271  6.251486       6.267937  219.3675 59.68761 143.9545 58.69094 75.41304       83.70924 
1 1 1 26  10 0  o 556.0858 15.95164 73.02376       4.172694  80.20215       9.253457  71.19154       4.674985  577.6782 34.20481 548.7479 18.11082 28.93030       38.70363 
1 1 1 26  10 1  o 218.7358 30.40608 11.62485       3.043983  14.84542       6.517135  10.72621       3.442569  240.3670 58.24858 208.5400 36.41854 31.82704       68.69649 
1 1 1 26  10 2  o 283.9255 24.67224 19.28221       3.262444  26.45957       7.543072  17.63063       3.618385  325.4066 50.94979 270.5417 28.87850 54.86496       58.56491 
1 1 1 26  10 3  o 449.9364 22.23067 47.99065       4.705146  0.000000       0.000000  47.99065       4.705146  ?        ?        449.9364 22.23067 0.000000       22.23067 
1 1 1 26  10 4  o 202.4831 39.77652 10.21289       3.653495  0.000000       0.000000  10.21289       3.653495  ?        ?        202.4831 39.77652 0.000000       39.77652 
1 1 1 26  10 5  o 224.1087 34.73152 12.31886       3.542965  11.55173       7.178548  12.56590       4.073694  212.7675 65.39249 225.0163 39.94949 -12.24886      76.62988 
1 1 1 26  10 6  o 436.5685 19.50819 45.12936       4.006255  43.22236       6.283569  46.43553       5.200314  423.7918 31.75063 441.1706 25.16269 -17.37881      40.51251 
1 1 1 26  10 7  o 585.8195 18.29115 81.22079       5.040506  88.49869       6.411232  69.44115       8.156513  610.5779 22.32190 537.1989 32.42956 73.37909       39.36932 
1 1 1 26  10 8  o 611.3851 15.90875 88.35708       4.575307  89.09695       6.491683  87.62680       6.449447  612.4039 22.53461 607.3193 22.57543 5.084534       31.89763 
1 1 1 26  10 9  o 116.2168 41.13691 2.915602       2.811639  2.311347       3.933079  3.547141       4.020891  120.9205 47.42779 132.2700 48.86529 -11.34953      68.09708 
1 1 1 26  10 10 o 593.0732 19.06639 83.40907       5.319197  86.14023       6.616517  78.41856       8.943918  601.4686 23.38552 569.3000 33.54601 32.16864       40.89275 
1 1 1 26  10 11 o 461.5958 18.47794 50.53182       4.012219  53.74878       5.756148  47.49189       5.595529  473.4939 25.94205 444.6851 26.87600 28.80884       37.35384 
1 1 1 26  10 12 o 298.7659 24.46784 21.46099       3.408556  23.62024       4.880310  19.40456       4.762694  310.5342 33.96309 280.0409 37.06529 30.49332       50.27253 
1 1 1 26  10 13 o 142.3120 45.46907 5.006585       3.437271  1.322789       4.086823  13.91201       6.354267  113.9563 47.03144 227.9341 58.85577 -113.9778      75.33896 
1 1 1 26  10 14 o 151.4664 42.36234 5.872388       3.136382  4.699969       4.523337  6.957977       4.352615  144.0251 52.04123 164.5486 50.97718 -20.52351      72.84890 
1 1 1 26  10 15 o 418.6558 22.27678 42.03332       4.371328  42.12248       7.071609  41.97819       5.561070  412.3517 36.84507 415.8077 28.60531 -3.456085      46.64572 
1 1 1 26  10 16 o 276.3277 27.29861 18.61576       3.502021  14.82730       4.748457  23.13382       5.185571  239.7396 43.71674 304.1420 37.00805 -64.40240      57.27783 
1 1 1 26  10 17 o 164.0142 42.32462 7.020374       3.287379  8.546997       4.566735  5.378489       4.735996  178.7179 51.50375 149.3053 53.33176 29.41266       74.14117 
1 1 1 26  10 18 o 148.3595 49.83194 5.579850       4.106117  12.82105       8.986062  3.668915       4.616228  210.7409 73.62749 134.1752 51.72466 76.56567       89.98026 
1 1 1 26  10 19 o 122.3996 47.53220 2.880271       3.920392  2.653507       4.714100  3.388823       7.059589  127.0077 51.21800 147.8857 61.48677 -20.87794      80.02441 
1 1 1 26  10 20 o 408.8387 22.49766 40.36007       4.310069  40.38202       6.063344  40.33765       6.127883  403.5477 32.20930 403.0765 32.59774 0.4712219      45.82632 
1 1 1 26  10 21 o 137.2349 44.83991 4.843201       3.330903  3.964247       4.689631  5.738058       4.731869  135.3795 52.14957 150.1195 53.34188 -14.73994      74.59848 
1 1 1 26  10 22 o 246.4329 33.36285 15.37937       3.768077  14.56259       5.296072  16.21670       5.362276  229.8506 50.37308 244.2448 48.38279 -14.39421      69.84512 
1 1 1 26  10 23 o 279.7948 40.34904 20.52021       5.157072  19.43222       6.669973  22.13734       8.131746  260.2188 56.13869 270.0506 64.83333 -9.831787      85.76079 
1 1 1 26  10 24 o 384.3194 26.86038 36.59724       4.825410  37.21760       8.015576  36.24463       6.043147  369.0573 47.25660 376.3673 34.51820 -7.309998      58.52087 
1 1 1 26  10 25 o 158.4421 47.68214 7.154607       3.844310  7.500000       6.188769  6.937600       4.905511  160.2904 60.34369 155.1312 54.38850 5.159164       81.23711 
1 1 1 26  10 27 o 140.9969 49.76733 5.853929       4.112345  3.995244       5.931459  7.574317       5.706528  131.9563 55.70814 154.5274 57.98971 -22.57104      80.41270 
1 1 1 26  12 0  f 309.5282 19.61546 22.78927       2.841301  19.54816       6.796488  23.47568       3.127733  276.4796 54.19540 313.8599 21.31108 -37.38028      58.23490 
1 1 1 26  12 1  o 293.6790 25.00894 20.66994       3.422011  0.000000       0.000000  20.66994       3.422011  ?        ?        293.6790 25.00894 0.000000       25.00894 
1 1 1 26  12 2  o 450.9495 20.43653 48.21070       4.335153  0.000000       0.000000  48.21070       4.335153  ?        ?        450.9495 20.43653 0.000000       20.43653 
1 1 1 26  12 3  o 646.7791 16.54695 98.91053       5.034349  129.9643       12.48996  92.88663       5.501009  734.1298 36.16753 626.3243 18.67126 107.8054       40.70266 
1 1 1 26  12 4  o 563.4519 18.94518 75.20036       5.021402  74.64329       9.949145  75.39076       5.816582  554.1223 38.40594 563.4878 21.94391 -9.365479      44.23292 
1 1 1 26  12 5  o 172.0535 39.91255 7.460457       3.167742  -0.3002378     6.879521  9.548648       3.568560  134.1764 58.36628 194.9792 40.24204 -60.80283      70.89460 
1 1 1 26  12 6  o 508.7646 20.22471 61.40401       4.840258  55.11296       9.399028  63.67453       5.646554  473.3847 42.66699 517.3881 23.20052 -44.00345      48.56682 
1 1 1 26  12 7  o 137.6648 40.30279 4.710989       2.776770  5.965115       3.925485  3.454993       3.928409  155.1953 48.46606 130.5911 48.28912 24.60417       68.41636 
1 1 1 26  12 8  o 229.1972 27.33258 12.73664       2.888734  12.81636       4.095534  12.65770       4.075116  226.2991 39.93298 224.8463 39.99444 1.452805       56.51724 
1 1 1 26  12 9  o 123.6117 42.93693 3.445527       3.053865  4.702476       3.792607  1.127824       5.150008  141.2527 47.88958 124.2795 52.15777 16.97315       70.80851 
1 1 1 26  12 10 o 517.4239 17.20870 63.45563       4.188552  72.04562       6.151769  56.03197       5.718904  549.4173 23.80282 483.4677 25.23392 65.94965       34.68897 
1 1 1 26  12 11 o 402.4604 19.46355 38.49889       3.684805  39.17583       5.338871  37.88308       5.092085  402.6990 28.36504 396.2881 27.48577 6.410950       39.49738 
1 1 1 26  12 12 o 79.45344 35.97621 -1.424389      2.890680  1.748017       4.063721  -4.673886      4.112799  116.6581 47.37478 82.40283 39.13960 34.25529       61.45143 
1 1 1 26  12 13 o 172.1072 42.60152 7.647149       3.430513  9.568966       5.097780  6.056542       4.637741  189.9282 54.32179 156.4484 52.95765 33.47986       75.86416 
1 1 1 26  12 14 o 348.5002 37.36699 30.23187       6.030208  30.23187       6.030208  0.000000       0.000000  348.5002 37.36699 ?        ?        0.000000       37.36699 
1 1 1 26  12 15 o 421.0603 19.58322 42.28991       3.878803  38.47338       5.266848  46.81310       5.733758  397.6723 28.34046 439.0516 27.90714 -41.37927      39.77425 
1 1 1 26  12 16 o 386.7982 21.52867 35.93192       3.901639  33.55909       5.315813  38.70298       5.744601  369.7713 30.84241 397.1827 30.99213 -27.41141      43.72375 
1 1 1 26  12 17 o 129.2832 43.86424 4.063984       3.181853  3.289987       4.413588  4.901570       4.591312  129.9450 50.44152 144.2684 52.38445 -14.32333      72.72192 
1 1 1 26  12 18 o 546.6760 21.25794 71.66024       5.466640  74.23710       6.650126  66.29014       9.600094  554.0911 25.51405 512.1257 40.17237 41.96539       47.58978 
1 1 1 26  12 19 o 151.0926 49.90738 5.921959       4.122174  8.460167       7.967836  4.994314       4.816902  180.3798 68.33811 145.1881 53.51260 35.19167       86.79687 
1 1 1 26  12 20 o 78.31152 36.02352 -1.880852      3.050524  -2.561896      4.047700  -0.9854813     4.641112  88.92006 41.11443 103.6563 46.36973 -14.73623      61.97215 
1 1 1 26  12 21 f 130.5898 49.96363 3.728939       4.285614  -0.1241082     8.326275  5.117605       4.998591  137.7794 61.83741 145.4071 54.33112 -7.627716      82.31486 
1 1 1 26  12 22 o 246.5375 34.65172 15.53232       3.907682  19.71760       6.152228  12.70197       5.059299  267.1682 50.80976 212.9926 51.14139 54.17554       72.09074 
1 1 1 26  12 23 o 169.4970 47.09730 8.004132       3.889939  12.55648       6.531254  5.501578       4.842510  202.3510 62.40510 145.4504 53.64753 56.90057       82.29492 
1 1 1 26  12 24 o 242.9785 44.57534 16.20558       4.907101  18.61772       6.427807  12.83591       7.597245  250.8913 55.89510 197.5029 67.77254 53.38840       87.84861 
1 1 1 26  12 25 o 127.4158 48.26290 4.077500       3.973629  4.898930       5.659462  3.278835       5.580490  140.0504 56.24512 129.6918 54.35459 10.35869       78.21723 
1 1 1 26  12 26 o 312.9027 32.41517 25.49504       4.701987  31.18312       6.941307  20.67182       6.391850  331.5666 45.72037 260.6235 53.91534 70.94308       70.69099 
1 1 1 26  14 0  o 193.2250 28.82965 9.135819       2.540242  0.000000       0.000000  9.135819       2.540242  ?        ?        193.2250 28.82965 0.000000       28.82965 
1 1 1 26  14 1  o 248.3655 23.42810 14.81797       2.704806  0.000000       0.000000  14.81797       2.704806  ?        ?        248.3655 23.42810 0.000000       23.42810 
1 1 1 26  14 2  o 145.3066 38.71102 5.318117       2.693575  5.139715       6.519548  5.354838       2.957823  161.1292 61.63041 145.9659 41.25010 15.16328       74.16116 
1 1 1 26  14 3  o 128.2563 41.50699 3.941385       2.857372  15.43995       6.853087  1.521789       3.143662  241.6393 60.44350 105.4718 42.07142 136.1674       73.64388 
1 1 1 26  14 4  o 312.2132 23.13731 23.33960       3.373893  25.12485       7.381262  22.86810       3.793360  313.6378 51.84146 308.1999 26.42051 5.437927       58.18575 
1 1 1 26  14 5  o 157.1825 41.07797 6.267970       3.071030  3.802022       6.810328  6.897398       3.440716  154.2870 61.79230 164.5390 43.71224 -10.25201      75.69048 
1 1 1 26  14 6  o 443.3395 19.64257 46.67501       4.096417  54.63734       9.529579  44.87022       4.536986  469.1717 43.68092 433.5286 22.32323 35.64310       49.05456 
1 1 1 26  14 7  o 419.6369 20.21279 41.85744       3.989966  43.75743       9.168009  41.41349       4.431664  417.0192 47.58803 416.2375 22.71964 0.7816772      52.73331 
1 1 1 26  14 8  o 145.4991 42.13783 5.345328       3.050080  2.374301       3.821975  10.55589       5.061469  119.5690 46.79319 200.7103 52.87232 -81.14130      70.60513 
1 1 1 26  14 9  o 411.7024 18.35752 40.24974       3.555223  43.48664       5.188944  37.38579       4.880874  425.1320 26.07283 393.9253 26.49395 31.20676       37.17152 
1 1 1 26  14 10 o 277.4985 24.17467 18.56199       3.124140  22.90095       4.609400  14.87505       4.248978  305.6369 32.56182 243.5948 38.34848 62.04211       50.30783 
1 1 1 26  14 11 o 660.2651 16.14115 103.3876       5.013281  108.7093       7.246244  98.50169       6.943165  674.2643 22.84617 641.7574 22.99944 32.50696       32.41793 
1 1 1 26  14 12 o 236.8924 27.62305 13.70576       3.020362  14.83579       4.232429  12.53308       4.311544  242.6915 38.34763 220.8234 43.05351 21.86815       57.65540 
1 1 1 26  14 13 o 447.9257 18.73189 47.77892       3.946908  48.26653       5.614618  47.30255       5.549493  446.5717 26.85240 442.0936 26.81186 4.478088       37.94638 
1 1 1 26  14 14 o 147.8637 41.59978 5.639449       3.015184  5.211209       4.003072  6.200985       4.583937  145.1879 49.20053 156.5420 52.65123 -11.35414      72.06139 
1 1 1 26  14 15 o 265.8076 45.75618 18.34956       5.514802  17.12545       8.568517  19.21522       7.205578  242.6166 70.73153 264.1620 59.42554 -21.54541      92.38152 
1 1 1 26  14 16 o 303.0103 24.63118 22.25955       3.480460  20.79617       4.742060  23.96840       5.124368  288.1397 35.75434 309.5349 35.85747 -21.39514      50.63725 
1 1 1 26  14 17 o 103.7417 42.79223 1.201375       3.380890  0.7355147      3.969074  2.433115       6.453882  106.9637 45.38609 139.1340 58.38991 -32.17031      73.95457 
1 1 1 26  14 18 o 228.5240 31.59789 13.04188       3.305839  12.80727       4.491729  13.31914       4.883075  220.3519 44.85882 223.2364 47.93268 -2.884552      65.64949 
1 1 1 26  14 19 o 159.5620 41.89025 6.728708       3.184225  8.251753       4.428835  5.098932       4.581388  173.9987 50.88742 144.4811 52.34827 29.51756       73.00597 
1 1 1 26  14 20 o 150.5755 53.04301 5.860778       4.669273  0.000000       0.000000  5.860778       4.669273  ?        ?        150.5755 53.04301 0.000000       53.04301 
1 1 1 26  14 21 o 139.1950 48.41412 4.977384       3.883303  3.712842       5.138256  6.661713       5.930107  134.8932 53.79335 159.2432 59.24107 -24.35008      80.02018 
1 1 1 26  14 22 o 128.6908 46.17855 4.120127       3.554596  9.146850       6.004890  1.408608       4.410308  176.5018 60.25733 113.1555 47.91821 63.34624       76.98766 
1 1 1 26  14 23 o 385.1808 25.47787 36.64721       4.590259  53.59691       8.209627  28.93822       5.536575  452.3438 38.96220 334.4680 35.74329 117.8758       52.87378 
1 1 1 26  14 24 o 134.1434 48.25621 4.812013       3.883951  14.08442       5.747990  -2.978597      5.268723  214.9460 56.21046 97.96708 45.83717 116.9789       72.53042 
1 1 1 26  14 25 o 124.4575 48.39201 3.809813       4.067426  2.952735       5.582005  4.780024       5.938995  126.3662 53.72854 138.5525 56.88224 -12.18626      78.24541 
1 1 1 26  16 0  o 258.8972 20.21306 16.04046       2.442150  0.000000       0.000000  16.04046       2.442150  ?        ?        258.8972 20.21306 0.000000       20.21306 
1 1 1 26  16 1  o 214.2610 24.04062 11.10233       2.381228  2.909632       6.168563  12.53695       2.581312  143.2640 58.29554 227.7274 24.48102 -84.46347      63.22729 
1 1 1 26  16 2  o 278.6577 20.07620 18.56120       2.613981  22.19679       7.002656  17.97260       2.817649  292.4599 52.84605 273.7222 22.07063 18.73770       57.26969 
1 1 1 26  16 3  o 75.06211 33.62928 -0.9736632     2.450981  -1.392390      6.246624  -0.8974684     2.664666  121.5068 54.11525 79.23395 35.31210 42.27282       64.61737 
1 1 1 26  16 4  o 122.3555 41.15913 3.515224       2.801267  9.598693       6.479217  2.116654       3.106625  191.9666 62.52917 110.0281 42.42785 81.93852       75.56467 
1 1 1 26  16 5  f 164.3016 39.29388 6.881917       2.995995  8.341261       7.023317  6.557290       3.312502  183.5669 65.01216 159.9491 43.06762 23.61781       77.98334 
1 1 1 26  16 6  o 224.3294 31.78068 12.40738       3.259854  11.60226       7.494029  12.59527       3.620316  207.9080 67.21279 224.8574 35.39731 -16.94939      75.96400 
1 1 1 26  16 7  o 574.2905 20.62959 78.58081       5.573031  83.50179       10.72454  76.76036       6.522911  581.0079 39.47398 566.1115 24.49459 14.89642       46.45622 
1 1 1 26  16 8  o 272.2213 30.99193 18.16652       3.897880  24.49762       8.165648  16.29815       4.435898  302.3513 59.53178 255.0285 38.14816 47.32285       70.70584 
1 1 1 26  16 9  o 347.2999 25.32046 29.10878       4.108121  56.59930       9.550437  22.86740       4.550637  474.6071 43.25283 305.1516 32.18767 169.4555       53.91525 
1 1 1 26  16 10 o 278.4155 24.00852 18.71792       3.113586  17.20612       4.389691  20.24857       4.416986  262.4097 36.55464 286.3070 33.42551 -23.89731      49.53288 
1 1 1 26  16 11 o 436.2396 18.29738 45.28862       3.754770  47.47991       5.342293  43.14944       5.278377  443.4596 25.72016 422.2572 26.71148 21.20242       37.08139 
1 1 1 26  16 12 o 377.1921 19.72272 34.02628       3.487284  29.43851       4.804799  39.13319       5.069357  347.0891 29.71475 401.7648 26.97981 -54.67572      40.13573 
1 1 1 26  16 13 o 304.8153 23.19251 22.41525       3.300526  25.61519       4.678034  19.24357       4.657333  322.8243 31.19417 277.1108 36.62600 45.71353       48.10967 
1 1 1 26  16 14 o 227.4822 29.58463 12.77148       3.090872  11.99450       4.219827  13.67083       4.540022  214.9463 43.23260 229.6553 43.62048 -14.70900      61.41501 
1 1 1 26  16 15 o 110.7494 43.58843 2.078638       3.332827  1.949025       3.881536  2.442331       6.501988  115.0430 46.44659 140.0092 58.67443 -24.96624      74.83297 
1 1 1 26  16 16 o 478.3427 26.28721 55.55459       5.892285  55.55459       5.892285  0.000000       0.000000  478.3427 26.28721 ?        ?        0.000000       26.28721 
1 1 1 26  16 17 o 164.2613 39.42644 7.038526       3.007735  7.935687       4.041492  5.924772       4.502993  171.9659 48.08524 152.1377 52.17833 19.82816       70.95609 
1 1 1 26  16 18 o 112.3199 41.83590 2.684678       2.959212  4.586526       3.980224  0.3341101      4.424926  137.2436 48.90557 108.6255 47.02993 28.61807       67.84961 
1 1 1 26  16 19 o 310.9691 24.33129 23.58281       3.530819  24.29976       4.896544  22.80623       5.096098  310.5420 34.07987 299.0038 37.02355 11.53821       50.32078 
1 1 1 26  16 20 o 61.84683 30.08522 -4.512047      2.789622  -1.404875      4.102584  -7.184104      3.804501  94.46111 42.80751 68.45193 33.67750 26.00917       54.46703 
1 1 1 26  16 21 f 90.90909 41.84463 -2.082569      4.124832  0.000000       0.000000  -2.082569      4.124832  ?        ?        90.90909 41.84463 0.000000       41.84463 
1 1 1 26  16 22 o 500.4847 21.36872 60.81776       5.030818  61.50417       8.118265  60.38984       6.409945  489.0368 35.53283 492.7954 27.76460 -3.758575      45.09384 
1 1 1 26  16 23 o 336.1038 29.02793 28.50463       4.544394  26.09394       6.280677  31.15339       6.583500  307.9890 44.65350 339.3845 42.14506 -31.39551      61.40148 
1 1 1 26  16 24 o 106.3011 44.52540 1.694717       3.741121  5.386445       5.301032  -1.968490      5.280516  140.9692 55.12497 100.9805 46.78550 39.98872       72.30246 
1 1 1 26  18 0  o 313.9185 16.13773 23.44118       2.374966  25.91855       7.009806  23.11992       2.524260  316.8304 48.58381 311.4937 17.29526 5.336731       51.57046 
1 1 1 26  18 1  o 101.0691 40.36772 1.452850       2.897764  7.544591       6.504925  -0.5531845E-01 3.236655  174.6608 62.49092 93.39541 40.32938 81.26537       74.37455 
1 1 1 26  18 2  o 235.2828 24.60330 13.41565       2.682759  24.28954       6.993118  11.53916       2.905030  305.7554 50.37618 216.6681 29.25036 89.08731       58.25241 
1 1 1 26  18 3  o 99.81905 36.23349 2.077294       2.196362  14.70868       6.798097  0.6051095      2.320828  231.7879 61.37878 85.44852 35.36802 146.3393       70.83962 
1 1 1 26  18 4  o 596.2668 15.00228 84.24677       4.207917  83.20453       10.27829  84.45663       4.612146  580.0632 37.87624 596.5665 16.43520 -16.50330      41.28831 
1 1 1 26  18 5  o 287.6953 26.18896 20.06601       3.505412  25.41915       7.856775  18.73556       3.916876  309.4411 56.03877 276.3953 30.64151 33.04587       63.86898 
1 1 1 26  18 6  o 160.6433 48.03141 6.677579       3.910189  6.120690       6.847093  6.947087       4.763299  165.9917 63.23845 164.6369 53.61299 1.354797       82.90630 
1 1 1 26  18 7  o 109.1367 42.62254 2.017987       3.166056  2.131689       6.891684  1.987571       3.564462  142.7715 60.14891 112.9419 44.87812 29.82966       75.04623 
1 1 1 26  18 8  o 377.7379 21.49700 34.20774       3.803979  27.77646       8.314620  35.91023       4.277945  322.5734 56.87386 386.2901 23.65646 -63.71677      61.59760 
1 1 1 26  18 9  o 165.7836 40.65549 7.098079       3.146306  1.455113       7.021355  8.515865       3.519433  140.0303 59.91527 181.3394 42.07201 -41.30911      73.21130 
1 1 1 26  18 10 o 157.9077 44.68057 6.476333       3.467999  2.513972       6.893078  7.819210       4.012863  144.2903 60.43809 172.4402 47.80739 -28.14984      77.06042 
1 1 1 26  18 11 o 100.2148 38.85542 1.732394       2.616534  -3.561249      3.541303  8.096628       3.882923  78.27845 36.92199 175.4871 46.34858 -97.20861      59.25727 
1 1 1 26  18 12 o 236.5210 28.73853 13.75015       3.131755  15.05054       4.555418  12.58476       4.312500  242.3847 41.44248 220.4663 43.12794 21.91837       59.81219 
1 1 1 26  18 13 f 343.3569 20.62003 28.29117       3.315029  29.12874       4.527421  27.32311       4.867329  345.5258 28.09826 333.0798 31.43692 12.44601       42.16387 
1 1 1 26  18 14 o 368.2315 20.15716 32.52014       3.478307  36.51343       4.830829  28.22115       5.012327  387.5087 26.66380 338.0332 31.89893 49.47552       41.57523 
1 1 1 26  18 15 o 268.2777 25.39343 17.54554       3.166479  23.80164       4.407070  10.86935       4.552632  310.5277 30.56653 201.2170 48.63678 109.3107       57.44431 
1 1 1 26  18 16 f 199.5806 37.95918 10.26469       3.433495  11.47824       4.003154  6.887634       6.677940  209.4132 42.09759 166.3281 62.67019 43.08505       75.49675 
1 1 1 26  18 17 o 188.9566 41.76327 9.421701       3.613368  16.86092       4.294474  -8.611773      6.686303  257.3063 36.50406 98.16886 47.47023 159.1374       59.88295 
1 1 1 26  18 18 o 629.3580 17.30185 94.66481       5.122236  92.71944       7.049425  96.84074       7.455490  618.1462 24.24338 631.0245 25.11659 -12.87836      34.90823 
1 1 1 26  18 19 o 211.0708 34.28171 11.42477       3.286978  8.522593       4.917910  13.76796       4.418991  173.5937 54.25359 227.2295 42.91469 -53.63582      69.17458 
1 1 1 26  18 20 o 212.5652 34.21089 11.64770       3.304724  17.21463       5.487665  8.480058       4.139504  249.4776 48.50815 173.8319 48.68525 75.64577       68.72623 
1 1 1 26  18 21 o 82.52673 37.12595 -0.8570233     3.020902  4.904876       5.045232  -4.077292      3.771763  140.2612 54.07366 77.44514 36.97997 62.81604       65.50938 
1 1 1 26  18 22 o 160.6437 48.94331 7.454425       4.032171  0.000000       0.000000  7.454425       4.032171  ?        ?        160.6437 48.94331 0.000000       48.94331 
1 1 1 26  20 0  o 74.98969 31.38249 0.3324551      1.856134  11.28121       6.009422  -0.8222262     1.951557  202.8499 59.26248 66.54107 29.89602 136.3088       66.37630 
1 1 1 26  20 1  o 407.4486 14.84415 39.36398       2.845099  44.97622       7.743818  38.48820       3.059043  423.8980 39.28150 402.5920 16.15292 21.30597       42.47297 
1 1 1 26  20 2  o 310.2852 17.43958 22.96528       2.535139  14.38764       6.806268  24.34699       2.731703  227.7264 61.90996 319.2995 18.26302 -91.57310      64.54751 
1 1 1 26  20 3  o 394.7951 15.51797 36.97838       2.881880  45.54102       8.473667  35.85843       3.064559  424.3052 43.05062 388.4893 16.76948 35.81586       46.20142 
1 1 1 26  20 4  o 147.2752 43.24531 5.571144       3.192802  -4.970274      6.944955  8.396157       3.595259  113.2377 52.86496 179.6951 43.08974 -66.45744      68.20139 
1 1 1 26  20 5  o 145.7564 47.53761 5.333565       3.744385  -0.3912010     6.595751  8.055886       4.548363  127.7225 56.30723 174.6280 51.71002 -46.90541      76.44888 
1 1 1 26  20 6  o 369.5115 22.06887 32.78835       3.818464  33.70987       8.160570  32.53002       4.320641  360.5903 49.40968 366.9145 25.18554 -6.324188      55.45835 
1 1 1 26  20 7  o 144.0802 43.11855 5.310607       3.150131  3.882283       6.812085  5.699129       3.552828  151.2598 61.36849 149.1636 46.03066 2.096268       76.71319 
1 1 1 26  20 8  o 175.0264 39.21330 7.881134       3.148460  14.30440       7.044863  6.277989       3.519499  226.2185 63.56738 155.5473 45.32694 70.67116       78.07268 
1 1 1 26  20 9  o 246.0468 31.05154 14.95906       3.513905  16.54281       7.249233  14.47266       4.017429  243.2684 62.88792 239.6896 36.80786 3.578781       72.86776 
1 1 1 26  20 10 o 374.8440 21.78126 33.75940       3.824073  40.96314       8.786727  32.07613       4.247417  397.9999 47.89413 364.1531 24.94576 33.84680       54.00129 
1 1 1 26  20 11 o 105.9925 42.89166 1.532962       3.318377  0.000000       0.000000  1.532962       3.318377  ?        ?        105.9925 42.89166 0.000000       42.89166 
1 1 1 26  20 12 o 407.6545 22.93130 40.05564       4.379479  29.66409       8.315206  44.04477       5.151955  331.9696 55.18575 426.1720 25.82093 -94.20239      60.92772 
1 1 1 26  20 13 o 486.8229 17.41591 56.47641       3.988287  56.67237       5.445912  56.24974       5.857087  484.9017 23.87523 481.3986 25.96068 3.503113       35.27015 
1 1 1 26  20 14 o 570.2779 16.64648 77.46323       4.465585  85.47175       6.254279  69.13440       6.378123  596.0649 22.30562 534.3295 25.37549 61.73547       33.78545 
1 1 1 26  20 15 o 454.2175 17.97405 49.28928       3.840424  48.56457       5.154407  50.19363       5.757931  447.2385 24.59473 453.1743 27.13529 -5.935852      36.62273 
1 1 1 26  20 16 o 234.3820 27.51913 13.59054       2.976357  13.16022       3.986654  14.13243       4.473736  225.2439 39.04056 231.6334 42.62898 -6.389511      57.80480 
1 1 1 26  20 17 o 88.40271 38.91973 -0.3456419     3.140787  -1.685287      3.670838  3.314507       6.067638  87.70530 40.03397 138.2758 57.20672 -50.57055      69.82354 
1 1 1 26  20 18 o 216.9588 35.01190 12.12999       3.451589  11.83390       4.056083  12.90725       6.571691  210.1217 42.49633 206.5822 62.38158 3.539505       75.48112 
1 1 1 26  20 19 o 74.32420 34.23704 -1.650924      2.768540  -3.834721      4.542958  -0.3607407     3.491872  88.27260 41.69151 92.06281 40.75823 -3.790207      58.30450 
1 1 1 26  20 20 o 163.8577 39.67258 7.286072       3.025255  8.938765       4.967638  6.311807       3.814103  173.7740 54.56269 150.0911 47.89058 23.68286       72.59886 
1 1 1 26  22 0  o 82.55650 33.27888 0.8516828      1.989304  7.939953       6.064906  -0.2848343E-02 2.105804  174.3949 60.51258 76.08805 32.69089 98.30686       68.77839 
1 1 1 26  22 1  o 226.5654 20.99309 12.38072       2.211956  11.83710       6.537331  12.45101       2.350600  206.1861 62.20849 226.8510 22.31650 -20.66492      66.09026 
1 1 1 26  22 2  o 174.9599 26.05674 7.536382       2.079076  14.05173       6.713013  6.845131       2.186586  224.2869 61.69670 165.6879 29.11743 58.59901       68.22249 
1 1 1 26  22 3  o 143.7089 34.08261 5.265162       2.269125  0.000000       0.000000  5.265162       2.269125  ?        ?        143.7089 34.08261 0.000000       34.08261 
1 1 1 26  22 4  o 305.3361 31.23478 22.95963       4.423119  14.02794       7.252534  28.24911       5.581223  222.7787 65.10966 336.7392 35.78262 -113.9605      74.29444 
1 1 1 26  22 5  o 112.1633 41.84459 2.573515       2.962773  9.429252       6.366431  0.6782917      3.347335  186.9017 62.03636 99.69600 41.95601 87.20573       74.89203 
1 1 1 26  22 6  o 345.4689 22.66348 28.74917       3.662612  16.41796       7.480923  32.63688       4.200480  240.7317 64.68086 367.4875 24.43825 -126.7558      69.14363 
1 1 1 26  22 7  f 119.1436 42.56695 3.206856       3.017215  6.569561       6.650687  2.335397       3.385679  166.2548 62.56176 113.6324 44.15958 52.62247       76.57703 
1 1 1 26  22 8  o 293.1913 25.23781 20.87993       3.446823  18.65042       7.545116  21.46793       3.874773  257.3166 62.87037 296.1941 28.14831 -38.87747      68.88404 
1 1 1 26  22 9  o 311.5356 24.88564 23.55216       3.616479  21.14447       7.689707  24.23594       4.097966  275.2715 60.99032 314.8016 27.96455 -39.53015      67.09572 
1 1 1 26  22 10 o 97.41370 42.06965 0.1004471      3.522880  0.000000       0.000000  0.1004471      3.522880  ?        ?        97.41370 42.06965 0.000000       42.06965 
1 1 1 26  22 11 o 298.1253 26.62353 21.72043       3.694368  16.02854       7.184697  23.76631       4.307444  236.2245 63.35252 310.4860 29.86055 -74.26151      70.03709 
1 1 1 26  22 12 o 123.6921 40.99363 3.789375       2.780331  10.54400       6.808499  2.437549       3.045869  192.7785 64.16203 110.7533 42.18169 82.02527       76.78581 
1 1 1 26  22 13 f 121.3925 44.60289 3.314720       3.342723  3.876338       6.586736  3.119900       3.879418  146.3153 59.96736 123.3735 47.45720 22.94183       76.47398 
1 1 1 26  22 14 o 303.3900 33.82726 23.17524       4.745474  0.000000       0.000000  23.17524       4.745474  ?        ?        303.3900 33.82726 0.000000       33.82726 
1 1 1 26  22 15 o 105.9861 38.86592 2.474675       2.536349  -2.499816      3.368883  8.983878       3.853679  79.49122 37.01273 181.9858 45.21650 -102.4946      58.43349 
1 1 1 26  22 16 o 124.2292 39.15404 3.991369       2.555482  5.022712       3.587080  2.928476       3.641531  138.4615 46.57571 118.5998 45.87890 19.86163       65.37714 
1 1 1 26  22 17 o 89.92387 37.01605 0.9841275      2.523318  -2.084195      3.449889  4.513995       3.700273  82.11704 37.96472 132.9552 47.17808 -50.83819      60.55651 
1 1 1 26  22 18 o 151.3762 39.98823 6.210879       2.889990  7.336505       4.373455  5.338377       3.850446  160.3861 51.29342 140.6084 48.24828 19.77769       70.41953 
1 1 1 26  24 0  o 115.2084 34.68011 3.338756       2.033420  0.1040725      5.807858  3.790661       2.170819  121.4006 53.19780 122.0857 35.60450 -0.6851425     64.01317 
1 1 1 26  24 1  o 158.5715 27.88472 6.277102       2.004056  5.746136       6.012121  6.343473       2.125624  156.7012 59.36308 158.9233 29.52017 -2.222046      66.29794 
1 1 1 26  24 2  o 313.5421 18.77408 23.55737       2.756268  27.60702       7.199186  22.86182       2.983597  323.7465 48.78717 308.2502 20.69636 15.49631       52.99554 
1 1 1 26  24 3  o 204.5379 27.23115 10.31565       2.554943  9.565994       6.048383  10.47847       2.818776  186.2827 60.39971 205.1604 30.10306 -18.87773      67.48569 
1 1 1 26  24 4  o 119.7266 41.48767 3.392352       2.850366  0.4714626      5.866671  4.294904       3.261146  123.9328 53.90454 131.8636 44.40905 -7.930794      69.84171 
1 1 1 26  24 5  o 308.7282 23.22703 23.06810       3.348460  27.85375       6.942238  21.61721       3.822492  326.6690 46.48912 297.0581 27.67339 29.61087       54.10227 
1 1 1 26  24 6  o 210.1934 32.14135 11.07968       3.077009  6.028538       6.069396  12.82702       3.569770  158.7760 59.76175 225.3402 34.79776 -66.56416      69.15454 
1 1 1 26  24 7  o 88.53127 35.16514 1.169796       2.187751  1.445898       5.855260  1.124996       2.358572  128.6078 54.86282 90.34410 36.30015 38.26370       65.78472 
1 1 1 26  24 8  o 471.6371 16.16952 52.95503       3.587355  40.42807       8.068153  56.04182       4.005025  395.2810 44.14487 484.6635 17.56692 -89.38248      47.51175 
1 1 1 26  24 9  o 158.0754 39.95337 6.557170       2.972311  0.000000       0.000000  6.557170       2.972311  ?        ?        158.0754 39.95337 0.000000       39.95337 
1 1 1 26  24 10 o 138.0873 38.75909 4.970018       2.620622  -4.369798      6.278136  6.940768       2.883881  106.6427 49.94067 162.9709 38.27109 -56.32822      62.91857 
1 1 1 26  24 11 o 100.6626 40.28137 1.583673       2.891366  0.000000       0.000000  1.583673       2.891366  ?        ?        100.6626 40.28137 0.000000       40.28137 
1 1 1 26  24 12 o 122.0527 46.02727 3.268791       3.603858  2.707491       6.097370  3.570155       4.467774  135.3711 56.77960 130.2594 50.69832 5.111664       76.11993 
1 1 1 26  24 13 o 85.09212 37.69759 -0.5222264     2.992049  -4.402497      5.543828  1.072581       3.554126  98.13598 46.26040 103.2005 43.32122 -5.064491      63.37786 
1 1 1 26  24 14 o 197.8239 30.33295 9.906190       2.732639  12.18490       6.384696  9.395158       3.023568  201.2653 61.63981 190.3980 35.05040 10.86731       70.90837 
1 1 1 26  24 15 o 253.9003 28.90863 16.16183       3.391152  14.15279       6.779186  16.83234       3.916365  214.1492 63.05249 256.7328 33.20711 -42.58362      71.26239 
1 1 1 26  26 0  o 168.0332 32.06624 7.195623       2.442144  8.109394       6.235607  7.030070       2.654168  172.1380 61.22655 164.8578 35.29083 7.280182       70.66918 
1 1 1 26  26 1  o 189.6624 32.09515 9.113933       2.761306  8.029133       6.226627  9.379500       3.080816  171.7326 61.17176 190.9962 35.60008 -19.26357      70.77676 
1 1 1 26  26 2  o 208.4617 29.02333 10.83605       2.768841  11.59037       6.047933  10.63602       3.114392  200.8388 59.66388 204.6389 33.51353 -3.800156      68.43197 
1 1 1 26  26 3  o 275.4024 26.35088 18.62098       3.372082  20.98692       6.222359  17.63721       4.012359  279.2231 49.16937 264.9223 32.90544 14.30078       59.16413 
1 1 1 26  26 4  o 111.2435 41.22886 2.676493       2.866896  1.359394       5.347582  3.207733       3.396202  122.8393 52.41695 120.4936 44.83076 2.345650       68.97343 
1 1 1 26  26 5  o 187.4023 36.49737 9.076208       3.101703  1.640904       5.277041  13.00079       3.833874  123.7823 52.41687 224.6255 37.61337 -100.8432      64.51585 
1 1 1 26  26 6  o 309.4321 18.95122 23.02641       2.745201  16.60821       5.967604  24.74916       3.091756  244.5351 53.37703 320.1956 20.63667 -75.66048      57.22744 
1 1 1 26  26 7  o 162.3992 30.84588 6.704761       2.270242  2.402200       5.401657  7.627817       2.501944  128.9430 53.71208 173.0733 31.90666 -44.13031      62.47418 
1 1 1 26  26 8  o 145.4666 36.79883 5.543200       2.519913  0.000000       0.000000  5.543200       2.519913  ?        ?        145.4666 36.79883 0.000000       36.79883 
1 1 1 26  26 9  o 247.2143 22.81828 14.91402       2.623595  11.89953       6.039358  15.61524       2.912800  201.5944 59.55708 252.1615 24.88064 -50.56715      64.54527 
1 1 1 26  26 10 o 111.6545 38.04105 3.048210       2.393214  6.483354       5.967377  2.389799       2.612519  157.6396 59.27233 105.4290 39.30107 52.21054       71.11810 
1 1 1 26  26 11 o 147.1741 36.69051 5.717084       2.531252  1.142093       5.939578  6.732383       2.798063  124.4926 54.19340 159.3976 37.87622 -34.90492      66.11757 
1 1 1 26  28 0  o 101.1981 39.47380 1.924070       2.713009  11.23365       5.190972  -1.574510      3.182215  197.2520 54.25081 81.15754 37.13282 116.0944       65.74189 
1 1 1 26  28 1  o 71.88165 32.99240 -1.473636      2.539448  -3.959572      4.650122  -0.4171967     3.031389  89.47001 42.23371 86.06422 38.04541 3.405785       56.84311 
1 1 1 26  28 2  f 171.6298 32.52389 7.578242       2.529705  9.304400       5.397301  7.092291       2.863735  179.2161 56.94682 163.6708 37.93617 15.54533       68.42582 
1 1 1 26  28 3  o 79.05656 35.81978 -1.160079      2.870964  -3.338288      5.160979  -0.1839747     3.454860  97.55859 45.55422 93.14405 40.91748 4.414536       61.23257 
1 1 1 27  1  0  o 195.2419 41.10923 9.483445       3.656201  15.18133       5.372022  4.566455       4.990347  246.6044 48.03641 149.6592 54.57191 96.94518       72.70206 
1 1 1 27  1  1  o 529.9082 18.27380 66.31777       4.555108  63.76338       8.143625  67.48085       5.495140  516.0001 33.73619 534.0598 21.87357 -18.05969      40.20676 
1 1 1 27  1  2  o 587.9689 15.25947 81.54510       4.220491  91.36308       6.255735  73.34297       5.717821  621.4962 21.39787 556.7783 21.83127 64.71790       30.56915 
1 1 1 27  1  3  o 378.9532 18.22997 33.91689       3.249682  37.99505       4.696743  30.17159       4.500994  399.5764 25.11555 355.5205 27.11831 44.05597       36.96206 
1 1 1 27  1  4  o 351.8959 19.80430 29.36249       3.264928  32.31552       4.670795  26.54097       4.565612  367.9596 27.17726 332.8198 29.46681 35.13977       40.08611 
1 1 1 27  1  5  o 274.3707 26.83834 18.03986       3.419523  12.82402       5.652833  21.05000       4.294346  224.8838 54.09629 295.6524 31.35641 -70.76860      62.52706 
1 1 1 27  1  6  o 305.8194 30.19660 22.48262       4.287298  19.11415       5.950934  26.11772       6.181975  277.2816 47.32251 327.0521 41.08993 -49.77048      62.67218 
1 1 1 27  1  7  o 375.4043 23.49623 33.54251       4.128332  29.98586       5.051465  40.69560       7.163796  353.3454 30.69626 410.1314 37.54898 -56.78601      48.49935 
1 1 1 27  1  8  o 223.1919 31.15824 12.11360       3.182097  18.03194       4.552125  6.457984       4.449944  271.7719 36.53267 163.0104 51.69860 108.7615       63.30388 
1 1 1 27  1  9  o 432.9219 19.37346 44.36386       3.945354  46.17787       5.642408  42.62846       5.518791  439.4619 27.43151 422.0333 27.95725 17.42862       39.16753 
1 1 1 27  1  10 o 476.5984 18.50366 53.76519       4.148389  49.20662       5.713925  58.84615       6.032440  453.5885 26.89963 496.4504 25.92132 -42.86185      37.35645 
1 1 1 27  1  11 f 107.0065 42.46823 1.603396       3.188362  1.880839       4.486255  1.320248       4.532144  123.2616 49.87440 119.8266 49.49679 3.434982       70.26655 
1 1 1 27  1  12 o 667.6628 20.57187 105.8432       6.461007  103.1553       7.719919  112.1284       11.80492  657.6725 24.95363 679.1236 37.09294 -21.45111      44.70537 
1 1 1 27  1  13 o 647.2135 26.26277 100.2025       7.995718  98.90012       11.34857  101.4863       11.26717  636.1183 38.10116 644.9097 37.29966 -8.791321      53.31944 
1 1 1 27  1  14 o 482.4477 23.70652 55.58626       5.380063  51.75318       6.637083  62.93103       9.187402  462.2204 30.69984 505.5753 38.93060 -43.35498      49.57895 
1 1 1 27  1  15 o 145.4987 49.27949 5.117356       4.015909  4.444115       7.452416  5.392857       4.767299  160.3012 64.48444 151.4833 53.57168 8.817825       83.83417 
1 1 1 27  1  16 o 132.4295 45.27597 4.175155       3.390212  6.236119       4.752402  2.039542       4.837703  158.1664 53.60797 125.5917 51.42373 32.57462       74.28468 
1 1 1 27  1  17 o 226.5110 35.15983 12.87472       3.624866  9.196309       4.955453  17.10820       5.316210  185.2193 53.73036 256.8836 45.66765 -71.66429      70.51586 
1 1 1 27  1  18 o 153.6918 48.36936 6.137014       3.901370  2.947384       6.640095  7.818623       4.821328  143.6288 59.66735 171.2439 53.75073 -27.61502      80.30775 
1 1 1 27  1  19 f 231.1828 40.40194 13.78774       4.233725  16.46116       5.390325  9.482759       6.840174  249.0840 47.74208 185.6913 64.27347 63.39276       80.06488 
1 1 1 27  1  20 o 270.2661 31.85526 18.21704       3.972082  14.79033       5.638513  21.59283       5.596468  232.1203 52.82706 288.5736 42.50029 -56.45337      67.80098 
1 1 1 27  1  21 o 252.5617 39.11056 16.44205       4.496349  17.12874       5.496851  15.05351       7.816507  252.5910 48.01741 223.5835 68.15002 29.00748       83.36724 
1 1 1 27  1  22 o 475.2429 26.23782 55.24883       5.842881  53.31477       7.117739  59.24495       10.23117  461.7249 32.98819 473.3992 46.54572 -11.67426      57.05020 
1 1 1 27  1  23 o 130.7104 46.25542 4.258294       3.554635  -2.528977      4.821095  12.34312       5.261790  97.39758 44.97672 208.4144 53.42241 -111.0168      69.83451 
1 1 1 27  1  24 o 290.9922 29.64643 21.23310       4.001422  14.56444       5.476155  28.87246       5.861177  225.8812 52.53065 333.4390 38.04931 -107.5578      64.86308 
1 1 1 27  1  25 o 99.87576 43.41277 0.4125316      3.800284  -0.4405470     6.608669  0.8339927      4.645133  120.2925 54.43877 110.5689 48.02846 9.723633       72.59692 
1 1 1 27  1  26 o 132.8784 52.66349 4.264687       4.896714  6.203925       7.132712  2.535969       6.734437  152.3215 62.41314 132.0616 57.59161 20.25990       84.92463 
1 1 1 27  1  27 o 167.7639 53.22742 8.718104       4.716660  14.94352       6.741535  2.748811       6.601400  209.5046 63.16428 129.7888 56.79860 79.71574       84.94591 
1 1 1 27  1  28 o 175.6671 50.89245 9.680350       4.448421  11.04637       6.392484  8.397741       6.194236  176.0576 62.05902 157.6549 60.12759 18.40271       86.40977 
1 1 1 27  3  0  o 805.5278 16.01270 153.1205       6.067566  162.4851       12.49139  150.2286       6.941475  825.6792 32.16104 797.4443 18.50470 28.23486       37.10467 
1 1 1 27  3  1  o 429.8124 19.31927 43.65817       3.906060  57.31273       8.243756  39.70517       4.435572  488.3003 36.14642 408.8271 23.15948 79.47321       42.92931 
1 1 1 27  3  2  o 603.4912 15.50038 85.92418       4.400304  84.13043       6.368216  87.56313       6.087230  596.1113 22.71021 608.3962 21.26982 -12.28485      31.11525 
1 1 1 27  3  3  o 189.2487 36.18338 8.840017       3.103749  6.929252       5.080981  9.977432       3.920154  170.3609 55.36683 199.9420 42.96056 -29.58107      70.07921 
1 1 1 27  3  4  o 476.1232 18.75974 53.56714       4.201608  59.21523       7.061831  50.47213       5.227540  497.8541 30.29819 460.8345 24.19945 37.01962       38.77620 
1 1 1 27  3  5  o 187.2189 37.57084 8.689300       3.193759  9.765162       5.071465  7.982203       4.111445  196.6459 53.43261 178.3648 47.96211 18.28110       71.80116 
1 1 1 27  3  6  o 395.1162 19.45723 36.91808       3.616389  36.39527       5.144882  37.42867       5.084347  390.1669 28.22257 395.8597 27.47398 -5.692780      39.38697 
1 1 1 27  3  7  o 584.3719 19.07549 80.76405       5.243659  79.96917       6.493993  82.25328       8.888788  580.6039 23.77730 585.8553 32.37962 -5.251465      40.17213 
1 1 1 27  3  8  o 690.7693 23.54932 113.2487       7.652100  113.7337       11.56917  112.8716       10.20261  687.2825 35.90937 687.1588 31.56347 0.1237183      47.80937 
1 1 1 27  3  9  o 451.2176 26.75244 48.65580       5.652974  0.000000       0.000000  48.65580       5.652974  ?        ?        451.2176 26.75244 0.000000       26.75244 
1 1 1 27  3  10 o 702.6586 16.78660 116.7554       5.548509  126.9030       8.159665  108.0277       7.567326  730.5888 23.74269 674.0315 23.86673 56.55731       33.66506 
1 1 1 27  3  11 o 274.4406 28.11901 18.18801       3.578840  16.50476       4.816957  20.26201       5.346917  257.4848 41.15563 285.9282 40.92065 -28.44339      58.03694 
1 1 1 27  3  12 o 339.0787 28.14375 27.71516       4.448449  27.39690       5.314355  28.46017       8.130862  335.2026 34.18170 333.5836 53.63318 1.619080       63.59958 
1 1 1 27  3  13 o 528.5615 18.99393 66.31293       4.722583  67.24596       6.686167  65.38402       6.671338  529.1888 26.94865 521.6604 27.28144 7.528381       38.34718 
1 1 1 27  3  14 o 210.9094 44.34988 11.40081       4.260476  19.91677       8.340355  8.394017       4.955864  270.0620 66.17150 179.8711 54.14019 90.19089       85.49753 
1 1 1 27  3  15 o 309.7917 26.49319 23.21987       3.823630  25.33088       5.519585  21.27212       5.301845  319.4176 37.44534 291.4255 39.70875 27.99216       54.57965 
1 1 1 27  3  16 o 312.1655 26.91182 23.64951       3.913204  29.25587       5.794454  18.94857       5.305966  343.2796 36.44076 272.7442 42.76197 70.53546       56.18288 
1 1 1 27  3  17 f 190.4427 44.58486 9.497034       3.923634  10.84126       6.703861  8.796647       4.839026  198.4736 63.50888 181.3015 53.24000 17.17212       82.87264 
1 1 1 27  3  18 o 419.1036 21.43600 42.20527       4.211907  40.51537       5.976235  43.87307       5.937031  405.6437 31.56803 423.0902 30.02595 -17.44647      43.56717 
1 1 1 27  3  19 o 329.5368 26.92899 26.53053       4.137913  25.82083       5.832228  27.24987       5.871759  318.2497 39.83038 327.6285 38.85667 -9.378815      55.64441 
1 1 1 27  3  20 o 330.3688 26.92182 26.71577       4.147435  20.55997       5.874393  32.83385       5.856366  279.0437 46.38110 361.9033 34.83079 -82.85956      58.00337 
1 1 1 27  3  21 o 151.9028 50.09544 6.089611       4.153906  7.181161       5.055001  3.819858       7.289347  163.3681 55.28872 149.5795 62.35925 13.78853       83.33978 
1 1 1 27  3  22 o 332.2144 27.13678 27.15672       4.203750  33.69257       6.082296  21.17942       5.816600  364.4636 35.94486 282.2960 45.33660 82.16760       57.85707 
1 1 1 27  3  23 o 73.99384 36.10276 -6.609725      4.103347  -5.124852      7.367968  -7.277331      4.940409  112.5352 53.13378 82.33878 40.04966 30.19638       66.53701 
1 1 1 27  3  24 o 243.6940 33.99702 15.24638       3.791084  19.82567       5.302899  10.45929       5.421885  272.2239 42.82575 188.2938 56.61796 83.93013       70.99041 
1 1 1 27  3  25 o 284.0733 34.72738 20.88478       4.543948  25.45779       7.684714  18.42636       5.634480  292.4185 57.91526 256.0533 48.55613 36.36514       75.57695 
1 1 1 27  3  26 o 223.7861 43.15388 13.88529       4.378129  21.27824       7.569034  10.16809       5.367101  257.2135 63.04612 180.9557 56.69721 76.25775       84.79025 
1 1 1 27  3  27 o 157.8532 60.34238 7.907254       6.247624  7.907254       6.247624  0.000000       0.000000  157.8532 60.34238 ?        ?        0.000000       60.34238 
1 1 1 27  3  28 o 130.7184 54.90923 4.265755       5.716006  4.265755       5.716006  0.000000       0.000000  130.7184 54.90923 ?        ?        0.000000       54.90923 
1 1 1 27  5  0  o 254.3327 28.75498 15.57624       3.379782  10.92450       6.530005  17.27835       3.950022  208.1636 62.03180 267.3246 32.05069 -59.16100      69.82256 
1 1 1 27  5  1  o 658.3529 20.08196 102.5051       6.219194  116.1415       10.85608  95.84364       7.587698  697.5043 33.08697 635.5613 25.37951 61.94305       41.69973 
1 1 1 27  5  2  o 78.70847 36.78228 -3.196509      3.375600  0.000000       0.000000  -3.196509      3.375600  ?        ?        78.70847 36.78228 0.000000       36.78228 
1 1 1 27  5  3  o 412.7870 19.91552 40.29760       3.867114  43.40072       6.446758  38.55343       4.833231  425.2738 32.47119 402.2314 25.67820 23.04248       41.39744 
1 1 1 27  5  4  o 127.2260 42.76580 3.685863       3.024211  4.158740       4.967198  3.407328       3.812212  145.8381 54.22553 130.3525 47.67197 15.48552       72.20129 
1 1 1 27  5  5  o 298.6576 22.46967 21.25239       3.133612  21.62879       4.529997  20.90701       4.339343  299.1933 32.72008 294.3035 31.85256 4.889740       45.66388 
1 1 1 27  5  6  o 237.4384 28.24447 13.60561       3.092775  13.00885       4.339621  14.22158       4.408892  228.7698 41.86880 239.8105 40.52760 -11.04065      58.27077 
1 1 1 27  5  7  o 534.2070 16.90025 67.43697       4.246899  64.43037       5.878652  70.71902       6.142046  520.9255 23.99014 545.7699 23.92402 -24.84442      33.88046 
1 1 1 27  5  8  o 96.41327 40.68102 0.3321171      3.160328  -1.068405      3.841077  3.266944       5.560314  96.60104 42.75852 143.1740 56.31646 -46.57291      70.70951 
1 1 1 27  5  9  o 315.7230 26.88207 23.93072       3.954427  25.63537       4.868211  20.62426       6.780035  325.4562 32.22193 284.8795 52.52964 40.57669       61.62480 
1 1 1 27  5  10 o 322.9033 23.81540 24.93945       3.591895  28.35242       5.032215  21.39452       5.128570  342.3316 31.60635 295.1045 37.81443 47.22711       49.28380 
1 1 1 27  5  11 o 345.7084 26.00584 28.68938       4.198139  30.50230       5.224755  25.38645       7.052234  354.8489 31.63233 317.0761 48.85046 37.77280       58.19770 
1 1 1 27  5  12 o 628.2249 17.26464 93.50237       5.102018  87.08716       7.017520  100.6956       7.430899  604.0086 24.69854 649.6348 24.31660 -45.62616      34.65999 
1 1 1 27  5  13 o 198.9574 37.04122 9.929961       3.339118  8.502047       4.719420  11.36128       4.725037  181.1032 52.40597 209.3468 48.87000 -28.24356      71.65656 
1 1 1 27  5  14 o 142.1065 42.82790 5.080515       3.099774  3.609620       4.333828  6.621179       4.435421  133.8383 50.47340 161.7535 51.64759 -27.91522      72.21522 
1 1 1 27  5  15 o 111.2824 45.82012 1.342872       3.867640  0.8596909      7.730806  1.504181       4.466828  143.5020 62.14654 118.6435 49.08401 24.85854       79.19238 
1 1 1 27  5  16 f 230.8181 35.67185 13.36083       3.748271  15.31213       5.986262  12.10245       4.807287  238.7715 54.49815 214.1800 48.80280 24.59157       73.15574 
1 1 1 27  5  17 o 200.3247 37.62456 10.23608       3.415290  9.547145       4.847147  10.91531       4.812932  188.2570 52.66737 201.7459 50.75832 -13.48889      73.14547 
1 1 1 27  5  18 o 315.0529 25.37098 24.12698       3.728152  27.82264       5.421750  20.81221       5.134756  333.7659 35.05624 286.1403 39.17688 47.62558       52.57154 
1 1 1 27  5  19 o 151.4904 45.37298 6.034856       3.487103  8.595664       5.006416  3.621775       4.859867  177.4091 54.62418 134.7742 52.75957 42.63495       75.94322 
1 1 1 27  5  20 o 371.8646 34.93145 34.68124       6.038798  34.68124       6.038798  0.000000       0.000000  371.8646 34.93145 ?        ?        0.000000       34.93145 
1 1 1 27  5  21 o 319.0036 27.31571 25.01125       4.059462  30.05825       5.865552  20.37145       5.623957  344.1666 36.80059 278.0690 44.49548 66.09760       57.74194 
1 1 1 27  5  22 o 181.6871 42.69211 8.838228       3.586902  6.121568       4.818268  12.21530       5.372093  152.6306 53.87019 207.6326 54.36243 -55.00208      76.53281 
1 1 1 27  5  23 o 221.5757 37.33456 12.77691       3.753033  15.22347       5.267505  10.25443       5.348606  234.5381 49.30928 188.0972 56.16086 46.44087       74.73585 
1 1 1 27  5  24 o 202.8222 54.02177 11.98868       5.246374  0.000000       0.000000  11.98868       5.246374  ?        ?        202.8222 54.02177 0.000000       54.02177 
1 1 1 27  5  25 o 93.31888 41.37011 -0.2681636     3.609335  -0.5383472     5.877132  -0.1045556     4.573390  113.7988 51.43344 104.4037 46.41258 9.395103       69.27862 
1 1 1 27  5  26 o 151.9590 48.45321 6.698313       3.904763  8.391796       6.064012  5.498742       5.103670  164.1123 60.10877 141.9140 54.46980 22.19829       81.11734 
1 1 1 27  5  27 o 225.4419 45.16815 14.61582       4.623088  21.83413       6.773427  8.320453       6.325591  264.1535 56.23602 159.8635 60.81156 104.2899       82.82835 
1 1 1 27  5  28 o 139.2414 56.15868 5.790726       5.668238  5.790726       5.668238  0.000000       0.000000  139.2414 56.15868 ?        ?        0.000000       56.15868 
1 1 1 27  7  0  o 514.7971 19.43966 62.69397       4.707541  0.000000       0.000000  62.69397       4.707541  ?        ?        514.7971 19.43966 0.000000       19.43966 
1 1 1 27  7  1  o 483.9066 20.65995 55.43486       4.702840  0.000000       0.000000  55.43486       4.702840  ?        ?        483.9066 20.65995 0.000000       20.65995 
1 1 1 27  7  2  o 349.0155 25.34250 29.07963       4.132292  0.000000       0.000000  29.07963       4.132292  ?        ?        349.0155 25.34250 0.000000       25.34250 
1 1 1 27  7  3  o 827.1945 16.63706 161.6294       6.473714  178.0618       14.17714  157.3005       7.276644  861.9354 34.96590 815.5176 18.96830 46.41779       39.77952 
1 1 1 27  7  4  o 209.1468 29.99538 10.63873       2.866554  3.779437       3.963341  18.16298       4.151005  134.7250 48.70842 273.6692 32.90421 -138.9442      58.78093 
1 1 1 27  7  5  o 426.5548 18.05612 43.02634       3.623002  44.61354       5.239579  41.57219       5.015181  432.3781 25.87998 417.3780 25.66836 15.00012       36.45049 
1 1 1 27  7  6  o 217.0251 29.05766 11.43040       2.892003  13.17612       4.190876  9.843328       3.995906  230.4222 40.12218 197.5979 44.10700 32.82431       59.62563 
1 1 1 27  7  7  o 219.9562 29.04823 11.74535       2.932028  17.62284       4.214723  6.233518       4.081511  268.8750 34.08901 159.0802 49.37745 109.7948       60.00161 
1 1 1 27  7  8  o 558.9774 16.54660 73.88258       4.350831  73.56068       6.172106  74.20055       6.134078  556.2345 23.58882 558.7115 23.33954 -2.477051      33.18383 
1 1 1 27  7  9  o 109.6701 43.25426 1.781266       3.288354  4.081555       3.971475  -3.234245      5.864328  136.8271 48.84171 110.7813 50.58018 26.04582       70.31264 
1 1 1 27  7  10 o 439.0916 26.44345 46.22024       5.436407  46.22024       5.436407  0.000000       0.000000  439.0916 26.44345 ?        ?        0.000000       26.44345 
1 1 1 27  7  11 o 86.64825 37.97623 -0.5390952     2.960923  -2.097011      4.218345  0.9738979      4.157082  95.51938 43.33480 112.8404 47.07180 -17.32107      63.98171 
1 1 1 27  7  12 o 258.4858 28.00212 16.21605       3.350403  21.14053       4.853228  11.73232       4.630954  292.8583 35.98649 213.3300 47.38052 79.52834       59.49740 
1 1 1 27  7  13 o 428.8938 20.00112 43.76514       4.035277  41.69580       5.627563  45.95519       5.789363  415.0909 29.00320 436.1248 28.37399 -21.03397      40.57424 
1 1 1 27  7  14 o 457.8885 19.48372 49.90457       4.196632  51.17343       6.032049  48.71425       5.842363  459.9872 28.01068 448.8488 27.80756 11.13834       39.46972 
1 1 1 27  7  15 o 245.9310 29.83681 14.85568       3.381044  14.95735       4.853347  14.75982       4.712786  240.9436 44.45888 239.7814 43.37922 1.162247       62.11561 
1 1 1 27  7  16 f 121.7049 46.80438 2.842019       3.772872  7.711059       7.880300  1.394002       4.297420  178.7723 67.90569 115.4642 47.98703 63.30806       83.15009 
1 1 1 27  7  17 o 115.0428 43.15842 2.714248       3.160336  7.376178       4.479549  -1.905630      4.459300  166.8267 51.72046 97.88905 44.46578 68.93766       68.20712 
1 1 1 27  7  18 o 297.8312 27.31305 21.70693       3.783943  22.25229       5.309301  21.14397       5.394318  295.7841 39.11848 287.1288 41.11185 8.655304       56.74892 
1 1 1 27  7  19 o 336.2146 28.75513 27.78199       4.504050  23.49582       5.285389  39.14983       8.607590  304.3353 37.72839 385.4487 48.55000 -81.11340      61.48605 
1 1 1 27  7  20 o 281.9195 28.78277 19.62720       3.763507  20.67663       5.238524  18.50775       5.410443  283.1878 40.47620 265.0211 45.00926 18.16669       60.53228 
1 1 1 27  7  21 o 140.1365 48.52138 4.986089       3.898407  4.174034       4.592282  7.080857       7.375705  136.1343 51.80730 167.7669 65.18364 -31.63255      83.26406 
1 1 1 27  7  22 o 253.7256 31.62356 16.20480       3.692441  17.57429       5.168230  14.77691       5.277279  256.7614 44.39643 231.4245 49.94169 25.33698       66.82227 
1 1 1 27  7  23 o 310.6934 32.67577 24.43453       4.704025  27.99346       7.335217  21.94850       6.130652  318.1219 50.72073 283.6049 47.64342 34.51703       69.58798 
1 1 1 27  7  24 o 299.2462 32.04040 22.77047       4.440105  35.79073       8.012998  17.00137       5.333834  359.8584 48.57774 247.3951 47.56068 112.4633       67.98392 
1 1 1 27  7  25 o 329.8250 30.40524 27.62691       4.664273  18.17479       7.663291  33.18903       5.878561  234.4764 66.44341 357.1249 35.46196 -122.6485      75.31451 
1 1 1 27  7  26 o 80.39505 38.36653 -3.930616      4.047774  0.7187872      5.763118  -8.457194      5.686486  116.3198 51.87908 84.91322 41.65469 31.40654       66.53233 
1 1 1 27  7  27 o 178.4984 49.14414 9.695136       4.257119  11.66766       5.978675  7.666469       6.063165  185.1369 60.05298 154.4057 59.34461 30.73123       84.42833 
1 1 1 27  7  28 o 110.3565 49.92087 0.6670631      5.550423  0.6670631      5.550423  0.000000       0.000000  110.3565 49.92087 ?        ?        0.000000       49.92087 
1 1 1 27  9  0  o 596.2958 18.28472 84.13154       5.128841  0.000000       0.000000  84.13154       5.128841  ?        ?        596.2958 18.28472 0.000000       18.28472 
1 1 1 27  9  1  o 479.8395 20.03429 54.54079       4.522089  0.000000       0.000000  54.54079       4.522089  ?        ?        479.8395 20.03429 0.000000       20.03429 
1 1 1 27  9  2  o 270.6408 31.25444 17.74737       3.905835  0.000000       0.000000  17.74737       3.905835  ?        ?        270.6408 31.25444 0.000000       31.25444 
1 1 1 27  9  3  o 429.3661 24.56650 43.97240       4.941211  37.72295       8.360095  47.32769       6.125694  390.5248 46.41769 444.1645 29.48611 -53.63962      54.99120 
1 1 1 27  9  4  o 852.0403 16.48635 171.6087       6.607755  173.0083       13.36582  171.1560       7.601694  848.8997 33.47111 850.2156 19.00693 -1.315979      38.49128 
1 1 1 27  9  5  o 679.3412 15.48827 109.0445       4.949487  105.2930       6.917814  112.9789       7.084421  665.9842 22.08186 689.9355 21.82863 -23.95135      31.04992 
1 1 1 27  9  6  o 595.7667 15.59311 83.88642       4.369969  85.09200       6.196888  82.69385       6.163387  598.6021 22.00727 590.0556 22.20533 8.546509       31.26334 
1 1 1 27  9  7  o 155.1417 38.95020 6.062931       2.838369  -0.8522511E-01 3.913765  12.88433       4.122483  103.2575 44.46825 227.2314 40.02986 -123.9738      59.83156 
1 1 1 27  9  8  o 333.3351 21.43088 26.50518       3.342584  31.53347       4.648402  21.12122       4.809993  362.1447 27.49196 293.6299 35.54787 68.51477       44.93839 
1 1 1 27  9  9  o 101.3678 41.48728 1.038700       3.147080  1.642213       3.786914  -0.3085613     5.658068  113.7525 45.89404 121.5698 52.90725 -7.817299      70.03884 
1 1 1 27  9  10 o 107.5288 43.24404 1.499628       3.350523  0.7753563      4.045022  3.082640       5.980154  110.1003 46.21687 143.5629 57.75992 -33.46255      73.97437 
1 1 1 27  9  11 o 371.3649 24.49698 33.09971       4.255361  30.02156       5.109135  40.07135       7.689004  351.3833 31.23557 401.7849 41.26876 -50.40161      51.75684 
1 1 1 27  9  12 o 132.6822 42.44007 4.313828       2.993922  1.579562       4.283837  6.924563       4.185949  117.7886 48.32828 164.3759 49.82061 -46.58727      69.40976 
1 1 1 27  9  13 o 630.0299 17.08157 94.22340       5.062420  102.6895       7.532315  87.24861       6.836802  654.5822 24.46217 603.5391 24.08121 51.04303       34.32641 
1 1 1 27  9  14 o 280.0802 25.67973 19.01488       3.345638  21.14746       4.830714  17.04900       4.638057  291.5341 35.98906 260.0565 39.12593 31.47766       53.16061 
1 1 1 27  9  15 o 291.0655 25.87256 20.57047       3.505480  22.14641       5.089087  19.14761       4.835612  297.3438 37.19806 275.6942 38.32321 21.64966       53.40753 
1 1 1 27  9  16 o 237.8275 30.80604 14.00885       3.365432  16.33287       4.834533  11.82382       4.687740  251.9378 42.29224 210.9535 48.28307 40.98436       64.18635 
1 1 1 27  9  17 o 379.9973 27.34241 35.20776       4.854829  50.98098       10.52925  30.94908       5.471102  438.9361 52.00631 353.1299 33.33022 85.80612       61.77022 
1 1 1 27  9  18 o 112.5099 43.02503 2.479470       3.176971  4.031808       4.339346  0.6861357      4.664035  134.8333 50.57421 113.6533 48.73615 21.18003       70.23505 
1 1 1 27  9  19 o 233.7665 33.64076 13.76743       3.592734  13.88282       4.979511  13.64214       5.188730  227.4870 48.03997 224.1320 50.43310 3.355087       69.65154 
1 1 1 27  9  20 o 233.1592 33.73832 13.74452       3.592800  13.50360       4.971931  14.00781       5.197547  223.2185 48.71875 226.6497 50.08397 -3.431244      69.87074 
1 1 1 27  9  21 o 148.6907 43.51330 5.893426       3.237360  8.745199       4.579731  3.045168       4.576908  177.3686 51.71106 127.0653 50.73906 50.30327       72.44643 
1 1 1 27  9  22 o 170.8900 52.81113 8.218790       4.674697  7.868609       6.059366  8.733651       7.347263  167.8764 60.28635 175.5032 65.81224 -7.626770      89.25075 
1 1 1 27  9  23 o 98.45375 42.73142 0.3060459      3.671105  -2.048157      5.856656  1.829697       4.711624  108.8779 50.02121 118.0825 49.73984 -9.204544      70.54199 
1 1 1 27  9  24 o 291.5655 32.74814 21.77335       4.413826  19.67896       7.010666  23.14869       5.681114  254.3202 59.63561 293.0488 42.44810 -38.72867      73.20006 
1 1 1 27  9  25 f 257.6010 35.31955 17.43710       4.167201  19.45006       7.438173  16.51625       5.030865  244.3187 63.96764 242.3815 45.80230 1.937256       78.67471 
1 1 1 27  9  26 o 137.4395 50.93876 5.327177       4.376339  2.673008       5.993202  8.359097       6.405508  126.3149 54.71089 161.1335 61.21852 -34.81858      82.10352 
1 1 1 27  9  27 o 90.12979 40.95319 -0.7184582     3.786145  -3.486921      5.384045  1.989893       5.325273  94.29354 44.78580 116.7603 51.05772 -22.46678      67.91655 
1 1 1 27  11 0  o 93.62604 39.15717 0.5047899      2.887182  0.000000       0.000000  0.5047899      2.887182  ?        ?        93.62604 39.15717 0.000000       39.15717 
1 1 1 27  11 1  o 227.7714 29.19761 12.61300       3.056337  5.841261       6.390189  14.62155       3.480212  165.7798 61.53112 245.0595 30.87547 -79.27974      68.84310 
1 1 1 27  11 2  f 125.0545 42.37337 3.593446       2.969199  11.08205       6.790081  1.822937       3.301593  206.8876 63.60070 110.1606 43.37510 96.72701       76.98343 
1 1 1 27  11 3  o 82.51993 37.07233 -1.289893      3.000328  3.686088       6.688854  -2.543254      3.356993  153.5492 61.33004 81.15475 37.49531 72.39445       71.88374 
1 1 1 27  11 4  o 252.9802 29.01041 15.51730       3.389904  16.63793       7.367678  15.21635       3.818041  250.7975 62.63713 249.2861 33.39880 1.511368       70.98514 
1 1 1 27  11 5  o 326.7757 23.91706 25.56759       3.650894  24.82759       7.794271  25.77559       4.132248  310.6250 55.37243 327.2993 27.08267 -16.67422      61.64071 
1 1 1 27  11 6  o 363.2504 19.53445 31.39759       3.325665  36.02184       4.886679  27.40804       4.538948  387.1952 26.99860 336.9463 28.91704 50.24887       39.56159 
1 1 1 27  11 7  f 632.3341 16.07405 94.63255       4.781247  97.94582       6.871747  91.52334       6.656785  641.3020 22.77903 619.9033 22.82818 21.39874       32.24919 
1 1 1 27  11 8  f 150.8373 43.54933 5.748095       3.262351  3.270856       3.992502  10.72533       5.659202  128.9611 48.48362 202.1504 57.03355 -73.18922      74.85645 
1 1 1 27  11 9  o 737.3355 17.46822 128.9176       6.058751  132.4019       9.835951  126.7873       7.691097  742.4247 28.16401 729.3032 22.41872 13.12152       35.99737 
1 1 1 27  11 10 o 124.8537 44.36374 3.460557       3.273038  5.845428       3.975151  -1.559750      5.767485  152.9729 48.89977 115.8064 51.75623 37.16652       71.20320 
1 1 1 27  11 11 o 430.8883 22.61577 44.46495       4.567990  47.94218       5.746486  38.49584       7.529044  445.5624 27.55249 392.6171 41.38997 52.94531       49.72192 
1 1 1 27  11 12 o 433.8599 22.44654 45.11465       4.565402  48.17656       5.645524  39.32818       7.760942  446.5425 27.00347 395.6433 42.35872 50.89923       50.23394 
1 1 1 27  11 13 f 374.0773 21.53569 33.55208       3.773559  27.31763       5.174373  40.63475       5.515149  332.8434 33.50362 408.7993 28.86542 -75.95599      44.22336 
1 1 1 27  11 14 o 194.1458 38.35806 9.632404       3.378874  15.07729       5.236418  5.748007       4.422845  239.5716 48.13594 151.8069 51.71456 87.76463       70.65030 
1 1 1 27  11 15 o 222.7469 31.57187 12.34033       3.215520  10.49223       4.374242  14.51313       4.742969  198.9168 47.41800 236.2802 44.30061 -37.36333      64.89230 
1 1 1 27  11 16 o 88.13483 38.60300 -0.3569322     3.055131  -0.4244248     4.164496  -0.2782773     4.495703  102.0559 44.87584 106.6766 46.77348 -4.620682      64.81974 
1 1 1 27  11 17 o 237.9200 40.93001 14.60163       4.415621  23.97741       9.033678  11.65835       5.061472  287.1311 67.94218 206.9213 52.04800 80.20981       85.58700 
1 1 1 27  11 18 o 148.9523 45.29063 5.817475       3.455296  5.073724       4.651961  6.732751       5.160575  145.0354 52.71915 160.8158 55.81805 -15.78043      76.77867 
1 1 1 27  11 19 o 425.8872 31.47072 44.93482       6.260135  0.000000       0.000000  44.93482       6.260135  ?        ?        425.8872 31.47072 0.000000       31.47072 
1 1 1 27  11 20 o 146.6142 43.88386 5.697860       3.262756  -0.8508539     4.471136  13.15759       4.772013  102.0648 45.59561 220.5292 47.41101 -118.4644      65.77814 
1 1 1 27  11 21 o 76.88018 35.84066 -2.434700      3.174278  -1.587468      4.591982  -3.210045      4.392849  99.23840 45.09556 89.73703 41.94421 9.501366       61.58674 
1 1 1 27  11 22 o 171.8064 51.58830 8.358529       4.503679  6.697385       5.832546  10.81153       7.087675  157.7927 58.74181 188.3455 65.41267 -30.55276      87.91711 
1 1 1 27  11 23 o 111.2432 52.19687 -3.757432      6.915594  0.000000       0.000000  -3.757432      6.915594  ?        ?        111.2432 52.19687 0.000000       52.19687 
1 1 1 27  11 24 o 114.7885 45.13596 2.802140       3.570560  3.299644       5.986701  2.527470       4.448320  132.8031 56.01093 118.7741 49.04745 14.02898       74.45050 
1 1 1 27  11 25 o 97.38024 43.15891 0.3829741E-01  3.925627  0.8742569      5.652651  -0.7404876     5.455924  116.3423 51.66518 107.5427 48.97939 8.799538       71.19180 
1 1 1 27  11 26 o 105.7752 49.22037 -1.744352      5.942819  0.000000       0.000000  -1.744352      5.942819  ?        ?        105.7752 49.22037 0.000000       49.22037 
1 1 1 27  13 0  o 224.8556 23.56109 12.18577       2.455101  9.815697       6.446714  12.58782       2.655182  194.6943 62.27675 228.1944 25.15334 -33.50011      67.16460 
1 1 1 27  13 1  o 231.0410 26.43143 12.93305       2.820935  15.29132       6.903961  12.46043       3.090708  239.5128 61.08552 225.8269 29.82434 13.68590       67.97743 
1 1 1 27  13 2  o 449.2635 18.57674 47.88565       3.925907  47.17598       8.661787  48.06912       4.404271  436.1119 42.77264 449.6260 20.82348 -13.51413      47.57222 
1 1 1 27  13 3  o 212.3928 33.50380 11.15271       3.236403  11.62307       6.943751  11.02218       3.658036  209.6234 64.29554 209.5975 38.52110 0.2589417E-01  74.95193 
1 1 1 27  13 4  o 260.1432 28.01461 16.41389       3.374139  5.945304       6.945887  19.64724       3.860201  168.0218 63.76939 284.5014 29.26119 -116.4796      70.16232 
1 1 1 27  13 5  o 109.5193 42.34069 2.048775       3.100071  6.019620       7.123486  1.121028       3.443228  169.2325 64.49522 105.4215 43.29957 63.81099       77.68196 
1 1 1 27  13 6  o 428.3346 20.70103 43.65419       4.171040  57.58026       9.539569  40.36261       4.637854  481.4969 42.55595 410.3503 24.13288 71.14658       48.92244 
1 1 1 27  13 7  o 327.2263 31.50707 26.10460       4.789876  46.19501       9.304851  18.86148       5.586988  427.9990 46.98973 272.4621 45.17407 155.5369       65.18230 
1 1 1 27  13 8  o 320.5944 21.34120 24.60139       3.200040  23.60953       4.601638  25.53025       4.453096  310.7178 31.93763 324.0977 29.53319 -13.37991      43.49968 
1 1 1 27  13 9  o 95.29321 38.34429 1.162722       2.635844  6.304628       3.799147  -3.609525      3.660037  157.0339 47.43340 80.18166 37.73352 76.85223       60.61143 
1 1 1 27  13 10 o 263.5548 25.35889 16.82194       3.105105  15.10914       4.353656  18.59526       4.429898  244.8502 39.11590 273.7446 35.21843 -28.89441      52.63451 
1 1 1 27  13 11 o 221.1574 29.36719 12.03088       2.979606  14.85934       4.312371  9.447016       4.121692  242.4636 39.14272 189.9503 46.50244 52.51329       60.78346 
1 1 1 27  13 12 o 370.9441 23.36961 33.12660       4.056984  32.99900       4.878725  33.41261       7.304283  368.2287 28.38456 362.4962 43.71793 5.732452       52.12428 
1 1 1 27  13 13 o 177.4755 44.74237 8.263286       3.734310  6.435791       4.566391  11.95303       6.488487  158.5088 52.53587 207.5935 61.82800 -49.08469      81.13396 
1 1 1 27  13 14 o 362.8850 21.36124 31.64005       3.630322  28.09087       4.958809  35.73939       5.329288  337.6274 31.58987 382.0057 29.89566 -44.37823      43.49334 
1 1 1 27  13 15 o 97.18330 39.70809 1.118933       2.876894  -2.003797      3.859064  5.025511       4.316314  89.72075 40.99027 143.9882 50.96904 -54.26743      65.40677 
1 1 1 27  13 16 o 176.2761 38.90181 8.050029       3.139338  5.860420       4.280720  10.59806       4.617808  151.3355 50.88015 198.3504 49.61689 -47.01485      71.06776 
1 1 1 27  13 17 o 109.6003 48.40928 -0.4565993     4.897862  -0.4565993     4.897862  0.000000       0.000000  109.6003 48.40928 ?        ?        0.000000       48.40928 
1 1 1 27  13 18 o 140.9877 50.05666 4.895937       4.166160  0.3472057      8.139921  6.510447       4.849482  139.8089 62.04659 157.6694 54.14439 -17.86044      82.34922 
1 1 1 27  13 19 o 190.8809 37.42648 9.447437       3.240444  9.677029       4.439921  9.185744       4.740160  187.7796 49.54539 181.9528 52.48320 5.826874       72.17501 
1 1 1 27  13 20 o 238.8810 31.57679 14.37234       3.461317  19.75408       5.065278  9.657842       4.740891  275.4202 40.28782 185.5517 52.14924 89.86848       65.89880 
1 1 1 27  13 21 o 208.4264 38.87622 11.43304       3.671379  18.78419       6.254199  7.567919       4.534985  257.8625 53.32085 164.3351 52.19786 93.52740       74.61722 
1 1 1 27  13 22 o 144.8577 45.68660 5.733660       3.478887  2.618906       5.843175  7.444037       4.329952  130.3923 55.18316 162.0099 50.95203 -31.61757      75.10853 
1 1 1 27  13 23 o 93.85516 43.12300 -1.778216      4.353949  2.445601       6.083797  -6.212842      6.233769  129.3089 55.56147 97.15594 46.69674 32.15295       72.57867 
1 1 1 27  13 24 o 142.0718 50.03660 5.705008       4.154760  6.810345       6.325335  4.866231       5.510099  153.3989 60.15220 138.7418 55.57615 14.65707       81.89626 
1 1 1 27  13 25 o 139.9179 49.57203 5.677789       4.083812  10.27051       5.936436  1.551724       5.626763  175.6679 59.91318 118.1916 52.06128 57.47636       79.37232 
1 1 1 27  15 0  o 616.9596 14.28686 90.08256       4.146321  90.54697       10.05160  89.98734       4.551615  608.1458 35.28819 616.2383 15.70173 -8.092590      38.62384 
1 1 1 27  15 1  o 253.3973 21.81163 15.42627       2.574581  8.849585       6.593173  16.60954       2.796615  185.7471 63.14133 262.7386 22.85533 -76.99152      67.15053 
1 1 1 27  15 2  o 259.8813 23.97202 16.28820       2.897516  30.35078       7.399288  13.74119       3.149001  345.5993 46.71115 237.1643 28.81848 108.4349       54.88566 
1 1 1 27  15 3  o 360.4428 20.37141 31.03380       3.439892  38.22830       8.092640  29.44724       3.800301  389.3411 45.01672 350.2777 23.19536 39.06335       50.64119 
1 1 1 27  15 4  o 347.7484 21.66220 28.95561       3.525940  26.84007       7.498839  29.55608       3.995123  322.1716 51.19339 350.5277 24.38091 -28.35611      56.70267 
1 1 1 27  15 5  f 195.8272 39.98820 9.768568       3.559046  16.07610       7.656768  8.030153       4.019689  241.3591 65.68425 175.6572 47.50389 65.70187       81.06195 
1 1 1 27  15 6  o 511.8520 41.99528 65.42807       10.02238  65.42807       10.02238  0.000000       0.000000  511.8520 41.99528 ?        ?        0.000000       41.99528 
1 1 1 27  15 7  o 152.3022 42.42443 5.956797       3.152235  4.643282       7.318001  6.256038       3.492893  159.8244 64.03848 155.9032 45.07628 3.921173       78.31218 
1 1 1 27  15 8  o 163.3560 43.26040 6.909681       3.376866  7.407848       6.912369  6.753522       3.870112  174.8963 64.15804 161.4371 47.67107 13.45926       79.92987 
1 1 1 27  15 9  o 249.5792 25.87061 15.14251       2.993162  20.64547       4.461775  10.63948       4.036104  288.9658 33.44199 202.6379 43.63258 86.32790       54.97425 
1 1 1 27  15 10 o 391.5329 19.17105 36.53789       3.530885  37.56415       5.040474  35.54907       4.947669  393.4230 27.40712 382.5611 27.68050 10.86188       38.95331 
1 1 1 27  15 11 o 385.4184 23.01211 35.75435       4.153089  37.41923       5.005257  32.07491       7.440914  392.5335 27.27631 353.3288 45.84995 39.20468       53.34993 
1 1 1 27  15 12 o 133.5080 49.01438 3.981496       4.035480  0.000000       0.000000  3.981496       4.035480  ?        ?        133.5080 49.01438 0.000000       49.01438 
1 1 1 27  15 13 o 83.39836 37.92358 -1.612603      3.254610  -2.464887      3.885506  0.3914982      5.958202  87.92703 40.52411 124.9885 54.34349 -37.06145      67.78951 
1 1 1 27  15 14 o 321.1555 23.66971 24.94616       3.550634  31.44792       5.090129  18.78429       4.955294  357.6580 30.54759 271.4358 40.00887 86.22217       50.33751 
1 1 1 27  15 15 o 557.4700 18.09278 74.12725       4.744562  73.30222       6.637999  74.98898       6.784031  550.5084 25.63327 556.6404 25.90859 -6.132019      36.44612 
1 1 1 27  15 16 o 145.5591 46.06065 5.495625       3.533820  4.229851       4.214460  8.492867       6.485222  135.7094 50.04916 177.5713 62.51672 -41.86197      80.08282 
1 1 1 27  15 17 o 189.4721 36.40259 9.231645       3.126590  16.02998       4.365321  2.070628       4.480250  250.0896 38.32849 120.3537 49.40726 129.7359       62.53120 
1 1 1 27  15 18 o 322.1629 24.57360 25.30569       3.695944  24.09339       5.026088  26.73309       5.453776  308.6760 35.24646 324.6199 36.33852 -15.94394      50.62411 
1 1 1 27  15 19 o 133.6030 48.33357 4.356567       3.903477  3.903092       8.041273  4.496368       4.464814  152.2566 64.60265 137.4756 51.35211 14.78105       82.52600 
1 1 1 27  15 20 o 116.4356 43.16267 3.081919       3.142485  6.926279       4.820308  0.2403465      4.144214  158.4593 53.98822 103.6536 45.19132 54.80566       70.40585 
1 1 1 27  15 21 f 117.0607 42.36907 3.290459       3.000032  2.941439       4.505864  3.568381       4.020819  123.7631 50.01622 125.5430 48.30825 -1.779930      69.53639 
1 1 1 27  15 22 o 108.4319 42.63118 2.357550       3.184892  4.851368       4.874331  0.4996648      4.207189  138.5116 53.21573 104.3114 45.50421 34.20014       70.01819 
1 1 1 27  15 23 o 152.1526 46.73357 6.633542       3.667049  13.76338       5.584874  1.230083       4.861939  212.2025 55.36565 113.1180 49.13613 99.08447       74.02509 
1 1 1 27  15 24 o 174.0628 58.03153 9.809752       5.568727  9.809752       5.568727  0.000000       0.000000  174.0628 58.03153 ?        ?        0.000000       58.03153 
1 1 1 27  17 0  o 302.5817 16.84294 21.81868       2.387841  17.28894       6.677588  22.48282       2.556908  252.4012 57.52265 306.9393 17.78520 -54.53806      60.20937 
1 1 1 27  17 1  o 173.5058 28.65995 7.461105       2.257479  13.13318       6.441400  6.666882       2.410353  218.5854 60.55913 162.6732 32.63402 55.91212       68.79235 
1 1 1 27  17 2  o 254.9494 21.31371 15.63521       2.532680  18.47503       6.890549  15.19163       2.723311  261.3303 57.60391 250.7238 23.35932 10.60655       62.16002 
1 1 1 27  17 3  o 251.1417 23.19056 15.23589       2.708734  16.81035       6.941660  14.95309       2.941961  247.6635 60.17678 248.0788 25.57714 -0.4152527     65.38681 
1 1 1 27  17 4  o 286.6636 31.89107 20.23941       4.227528  18.14804       6.959191  21.46255       5.322067  258.3425 58.61092 291.7916 39.81289 -33.44916      70.85412 
1 1 1 27  17 5  o 203.0571 49.62939 10.92508       4.700497  7.303806       6.989633  13.91498       6.351155  173.8236 64.38499 225.4059 59.15395 -51.58231      87.43351 
1 1 1 27  17 6  o 78.06324 35.44149 -1.432994      2.828239  5.873960       6.882154  -2.917757      3.102307  163.8349 63.15687 74.50843 34.96029 89.32645       72.18734 
1 1 1 27  17 7  o 146.3142 42.11544 5.506525       3.055224  2.712248       6.608164  6.266218       3.445603  143.2162 59.51212 155.4223 44.72176 -12.20612      74.44279 
1 1 1 27  17 8  o 142.3715 43.19234 5.177396       3.145131  -1.695601      6.834974  7.023604       3.542454  123.9651 55.79871 163.9633 44.70107 -39.99812      71.49603 
1 1 1 27  17 9  o 317.7365 27.26315 24.57809       4.035390  13.81391       7.739139  28.59754       4.729178  220.4826 67.92011 341.8509 29.70423 -121.3683      74.13152 
1 1 1 27  17 10 o 268.3238 24.40042 17.45542       3.046164  12.49998       4.112831  23.47697       4.533709  220.4667 41.17191 308.5768 31.68321 -88.11012      51.95144 
1 1 1 27  17 11 o 73.63667 34.09816 -2.091389      2.799277  1.585315       4.206931  -5.012659      3.749918  115.6548 47.72368 75.45702 36.25447 40.19774       59.93277 
1 1 1 27  17 12 o 366.6775 19.76435 32.21370       3.396481  33.51634       4.647642  30.72058       4.975835  371.2361 26.79423 353.7707 30.18922 17.46545       40.36483 
1 1 1 27  17 13 o 301.2370 22.86577 21.92863       3.215962  22.59528       4.408206  21.17011       4.702124  302.2951 31.46091 290.8179 35.08027 11.47723       47.12127 
1 1 1 27  17 14 f 288.8260 27.85787 20.45617       3.737949  23.09653       4.516008  14.71165       6.661170  305.1661 31.93217 227.9042 60.94986 77.26196       68.80806 
1 1 1 27  17 15 o 300.4507 27.63932 22.14629       3.862538  21.65736       4.503012  23.50773       7.514112  294.5182 33.07467 291.8652 56.77385 2.653046       65.70543 
1 1 1 27  17 16 o 235.9053 29.29397 13.82058       3.180789  11.66982       4.196197  16.72556       4.876757  209.8494 43.91867 253.1172 42.46191 -43.26779      61.08898 
1 1 1 27  17 17 o 398.8856 20.71260 38.36491       3.873069  37.15862       5.266020  39.78632       5.716344  387.9809 29.06499 400.5395 30.57002 -12.55865      42.18175 
1 1 1 27  17 18 o 325.5021 22.85474 25.77522       3.477264  28.54539       4.888423  22.93793       4.947292  337.9975 31.09449 299.8985 35.77514 38.09903       47.39966 
1 1 1 27  17 19 o 309.8588 26.19836 23.68887       3.782843  17.44947       5.716100  28.55087       5.045866  250.5186 50.25360 336.4479 32.27843 -85.92923      59.72706 
1 1 1 27  17 20 f 249.7824 40.55773 16.58975       4.601998  0.000000       0.000000  16.58975       4.601998  ?        ?        249.7824 40.55773 0.000000       40.55773 
1 1 1 27  17 21 o 399.1786 22.84344 39.06304       4.271603  52.76457       7.535157  32.57476       5.185282  451.3407 35.78436 358.2835 31.07411 93.05713       47.39325 
1 1 1 27  17 22 o 207.5686 40.68844 11.79427       3.830822  9.164685       5.227116  14.84542       5.630553  172.5141 56.16183 221.6918 54.39962 -49.17767      78.18868 
1 1 1 27  19 0  o 470.8352 14.40951 52.57436       3.191446  61.20690       8.523870  51.16690       3.441795  495.7046 36.81773 464.1133 15.76492 31.59134       40.05094 
1 1 1 27  19 1  o 287.2977 17.59073 19.72101       2.365858  20.26754       6.855208  19.64712       2.520734  274.0267 55.09150 286.4384 18.81256 -12.41168      58.21500 
1 1 1 27  19 2  o 231.7131 21.21893 12.95092       2.287145  20.71938       6.915281  11.99678       2.423535  277.4016 54.93790 222.2995 23.53402 55.10201       59.76641 
1 1 1 27  19 3  o 164.4437 33.99644 6.862574       2.542905  14.29846       6.847826  5.673173       2.738738  225.9769 62.37555 148.3360 38.80457 77.64085       73.46090 
1 1 1 27  19 4  o 304.1590 21.44936 22.24754       3.049245  17.65458       7.235619  23.23938       3.362403  251.8311 61.59019 310.3260 23.20148 -58.49487      65.81535 
1 1 1 27  19 5  o 83.28318 35.48352 0.1809731      2.443778  -4.140904      6.466669  0.9010152      2.639510  110.9970 51.54808 92.40940 37.92777 18.58756       63.99781 
1 1 1 27  19 6  o 187.8915 33.04655 8.873464       2.814170  7.407848       7.063389  9.150006       3.068203  173.8022 64.65498 189.9495 35.64742 -16.14735      73.83092 
1 1 1 27  19 7  f 398.0600 19.58652 37.82214       3.667542  53.21047       9.361170  35.03184       3.986207  457.1017 44.08249 381.6576 22.30028 75.44418       49.40211 
1 1 1 27  19 8  o 382.6205 20.47984 35.09438       3.672706  31.33175       8.212317  36.03506       4.106223  344.2939 52.35662 386.9172 22.65969 -42.62329      57.04978 
1 1 1 27  19 9  o 590.1479 19.42571 83.14858       5.392711  66.91439       10.38558  89.14146       6.310052  512.9816 43.44693 609.7684 21.99878 -96.78687      48.69889 
1 1 1 27  19 10 o 108.4389 43.42889 1.778862       3.363911  0.000000       0.000000  1.778862       3.363911  ?        ?        108.4389 43.42889 0.000000       43.42889 
1 1 1 27  19 11 o 178.0089 43.68965 8.342361       3.631181  1.882283       7.461787  10.34692       4.156551  143.5139 61.59528 197.7899 45.60699 -54.27603      76.64188 
1 1 1 27  19 12 o 320.8652 21.67678 24.81843       3.252611  27.78730       4.522245  21.63654       4.681668  336.5399 28.84468 294.0436 34.50273 42.49628       44.97169 
1 1 1 27  19 13 o 562.2047 16.79536 75.30237       4.441741  73.08864       5.998863  77.98885       6.608427  550.7213 23.15623 567.9224 24.73659 -17.20117      33.88377 
1 1 1 27  19 14 f 69.89986 33.08565 -3.051423      2.889655  -1.888721      3.435215  -5.865042      5.343830  83.98932 38.48433 92.10794 43.99131 -8.118622      58.44894 
1 1 1 27  19 15 o 106.4145 41.55987 2.063694       3.010176  0.9558786      3.433876  5.740191       6.255584  101.6370 42.61919 155.6770 60.15697 -54.04005      73.72419 
1 1 1 27  19 16 f 262.7517 25.58457 16.96107       3.122114  17.07706       4.121789  16.80494       4.782103  259.2139 34.67198 253.1491 41.60379 6.064774       54.15738 
1 1 1 27  19 17 o 220.5129 30.11644 12.23252       3.042291  12.30909       4.082539  12.13690       4.562213  215.1124 41.85191 210.3893 47.25316 4.723099       63.12244 
1 1 1 27  19 18 o 339.7911 23.72727 28.25984       3.768723  29.53032       5.917249  27.39273       4.888463  337.5399 37.92347 329.3841 31.95197 8.155731       49.58949 
1 1 1 27  19 19 o 121.2765 43.19088 3.664442       3.103953  9.670036       5.230186  0.3992040      3.856528  180.5796 55.86994 100.6474 43.74048 79.93224       70.95548 
1 1 1 27  19 20 o 168.9699 39.37588 7.761102       3.071791  8.127231       5.019860  7.541935       3.883851  165.4212 55.09496 162.4513 47.69475 2.969971       72.87142 
1 1 1 27  21 0  o 159.6847 31.71779 6.447717       2.298518  0.1439358      6.603577  7.316730       2.451837  128.8990 56.59830 170.3392 31.76763 -41.44022      64.90416 
1 1 1 27  21 1  o 192.1921 24.88878 9.047244       2.197286  5.829370       6.185950  9.511870       2.350572  158.6815 60.19062 196.7830 26.03221 -38.10153      65.57886 
1 1 1 27  21 2  o 196.1435 26.86449 9.473151       2.413548  10.16647       6.543370  9.363969       2.596645  191.9532 62.85324 194.1793 29.34274 -2.226105      69.36517 
1 1 1 27  21 3  o 358.9462 16.50083 30.64143       2.786150  20.94530       7.607592  32.14339       2.994176  274.5477 60.53443 367.4314 17.32334 -92.88376      62.96440 
1 1 1 27  21 4  o 468.5385 15.46655 52.13762       3.408852  57.22355       9.044200  51.29547       3.680273  475.9567 40.78963 464.3197 16.84976 11.63699       44.13285 
1 1 1 27  21 5  o 130.8125 36.25621 4.375092       2.308308  1.368312       6.635331  4.789078       2.462095  135.3169 58.08085 136.5533 37.28231 -1.236374      69.01707 
1 1 1 27  21 6  o 283.0751 20.80619 19.28132       2.751119  22.86564       7.443880  18.71428       2.960744  289.7444 56.64548 278.2254 22.82319 11.51898       61.07052 
1 1 1 27  21 7  o 384.0548 18.64338 35.19657       3.368117  35.31511       8.186290  35.17241       3.695382  367.5763 48.53131 382.7958 20.59792 -15.21954      52.72156 
1 1 1 27  21 8  o 95.49446 38.42999 1.255374       2.647991  -6.278241      6.172525  2.954559       2.931444  100.3747 47.75584 115.5135 41.87076 -15.13882      63.51205 
1 1 1 27  21 9  o 314.3584 33.41713 24.60817       4.865782  0.000000       0.000000  24.60817       4.865782  ?        ?        314.3584 33.41713 0.000000       33.41713 
1 1 1 27  21 10 o 159.2660 40.12773 6.633141       3.005005  -3.388823      6.870363  9.003969       3.341591  116.3581 53.71803 186.2227 39.37716 -69.86452      66.60471 
1 1 1 27  21 11 o 271.8121 25.22983 18.03449       3.189124  14.64328       7.259782  18.84538       3.549990  223.9097 65.05692 276.9215 27.62069 -53.01181      70.67747 
1 1 1 27  21 12 o 147.6860 39.70089 5.718021       2.817569  6.649822       6.761171  5.522195       3.099530  164.2164 62.77379 145.0011 42.61790 19.21532       75.87381 
1 1 1 27  21 13 o 168.2548 50.42005 7.733699       4.305210  11.29310       6.626444  5.133770       5.663338  196.9829 63.15261 148.8610 57.31797 48.12193       85.28542 
1 1 1 27  21 14 f 347.5615 20.72446 29.17651       3.372912  29.82721       4.613214  28.42917       4.943980  347.4628 28.47460 337.3697 31.51821 10.09305       42.47588 
1 1 1 27  21 15 o 260.1382 24.99173 16.63157       3.020587  15.90133       4.132592  17.46918       4.425996  248.5359 36.42931 260.2101 37.21943 -11.67422      52.08052 
1 1 1 27  21 16 o 108.8766 42.18373 2.369522       3.082299  2.684772       3.584068  1.474138       6.040238  115.7428 45.30856 126.7213 54.90601 -10.97849      71.18662 
1 1 1 27  21 17 o 238.4108 30.25328 14.37796       3.316512  12.79727       5.121400  15.51958       4.352389  211.1306 51.92656 242.1497 39.57729 -31.01912      65.28957 
1 1 1 27  21 18 o 146.2672 41.64947 5.859791       3.003593  2.931629       4.947757  7.568638       3.779745  125.5654 51.77744 163.6901 46.76049 -38.12475      69.76709 
1 1 1 27  23 0  o 141.8443 31.94452 5.137025       2.080203  1.493758       5.641715  5.710274       2.237882  126.8316 53.97283 149.4636 32.73584 -22.63206      63.12449 
1 1 1 27  23 1  o 250.0183 22.37788 15.15314       2.604008  16.59929       6.525466  14.87923       2.839927  243.4830 57.83232 246.9080 24.78588 -3.425018      62.91992 
1 1 1 27  23 2  o 359.7875 15.96532 30.80136       2.702047  36.77170       7.877045  30.00516       2.876583  376.0818 45.44760 354.7680 17.23706 21.31381       48.60659 
1 1 1 27  23 3  o 463.0165 14.84411 50.92991       3.233106  34.83948       8.082660  53.99485       3.527617  363.7630 48.43939 476.4507 15.73962 -112.6877      50.93240 
1 1 1 27  23 4  o 277.3066 18.61046 18.45103       2.413580  26.22771       7.191090  17.46376       2.562208  313.6078 50.45717 269.2215 20.38295 44.38632       54.41866 
1 1 1 27  23 5  o 105.2483 34.62333 2.674554       1.984710  -4.934602      6.399303  3.484373       2.087654  106.4973 50.04698 117.3871 35.09535 -10.88979      61.12597 
1 1 1 27  23 6  o 270.4594 20.09985 17.61851       2.538920  14.60464       6.900836  18.09034       2.730434  225.0656 62.79839 273.6590 21.38039 -48.59334      66.33822 
1 1 1 27  23 7  o 108.3036 38.33072 2.678812       2.441046  0.000000       0.000000  2.678812       2.441046  ?        ?        108.3036 38.33072 0.000000       38.33072 
1 1 1 27  23 8  o 112.4176 43.43939 2.429694       3.261776  0.000000       0.000000  2.429694       3.261776  ?        ?        112.4176 43.43939 0.000000       43.43939 
1 1 1 27  23 9  o 168.2837 35.19823 7.298660       2.696748  10.84721       6.501892  6.561372       2.963690  194.2104 62.58707 157.9206 39.88506 36.28979       74.21562 
1 1 1 27  23 10 o 126.2783 40.89285 4.046764       2.773108  5.023782       6.206486  3.803063       3.099727  150.6173 59.41769 124.7790 43.26290 25.83826       73.49925 
1 1 1 27  23 11 o 156.5674 37.16323 6.417471       2.696058  9.604639       6.194120  5.672524       2.994607  183.1027 61.20576 146.2871 41.56351 36.81560       73.98426 
1 1 1 27  23 12 o 147.7105 43.17762 5.833531       3.189207  9.839478       6.331753  4.471747       3.691692  183.9991 61.88016 133.6796 47.15669 50.31941       77.80043 
1 1 1 27  23 13 o 71.42635 32.84442 -1.544427      2.532737  2.824614       5.896838  -2.532733      2.804606  133.5718 55.92057 70.52678 33.13955 63.04501       65.00262 
1 1 1 27  23 14 o 86.84308 38.12739 -0.2127799     2.995933  0.4791915E-01  5.574922  -0.3186394     3.552499  115.8605 51.38675 93.32438 41.22380 22.53609       65.87868 
1 1 1 27  23 15 o 166.8280 47.44556 7.805323       3.900224  0.000000       0.000000  7.805323       3.900224  ?        ?        166.8280 47.44556 0.000000       47.44556 
1 1 1 27  25 0  f 345.7861 20.39876 28.85108       3.303338  26.77170       6.965956  29.45434       3.752041  315.5681 48.47705 348.1965 23.03748 -32.62842      53.67262 
1 1 1 27  25 1  o 122.2712 36.05215 3.846163       2.214934  1.917360       5.945103  4.157040       2.386766  130.1994 55.40551 126.7757 37.43700 3.423759       66.86777 
1 1 1 27  25 2  o 135.0838 34.78728 4.733960       2.223885  7.835910       6.285803  4.290132       2.377665  169.9002 61.35434 128.6427 37.18921 41.25748       71.74533 
1 1 1 27  25 3  o 252.9098 20.89839 15.48963       2.463994  18.83769       6.747559  14.97448       2.646776  257.9583 57.11459 247.9110 22.95671 10.04724       61.55556 
1 1 1 27  25 4  f 156.5613 31.53235 6.257898       2.241950  6.480381       5.863268  6.219799       2.426330  158.9333 58.94965 155.1731 34.16503 3.760147       68.13451 
1 1 1 27  25 5  o 314.2565 17.91783 23.70073       2.637766  10.67182       6.380257  26.38674       2.896932  191.6475 62.02377 331.3633 18.66105 -139.7158      64.77023 
1 1 1 27  25 6  o 144.8047 33.75658 5.426365       2.256953  7.889418       5.754063  4.978526       2.453572  169.1680 58.92772 137.9707 37.03033 31.19724       69.59685 
1 1 1 27  25 7  o 77.87801 34.00796 -0.2048734     2.355293  0.000000       0.000000  -0.2048734     2.355293  ?        ?        77.87801 34.00796 0.000000       34.00796 
1 1 1 27  25 8  o 110.9884 37.89094 2.991038       2.374411  7.609989       5.510290  1.937839       2.631226  165.9490 57.67390 100.9729 39.01583 64.97610       69.63127 
1 1 1 27  25 9  o 181.6901 35.77706 8.581630       2.948949  1.724435       5.819172  10.95114       3.420719  127.1822 54.48498 205.3265 36.76645 -78.14426      65.72964 
1 1 1 27  25 10 o 126.8802 38.30582 4.206807       2.478151  9.949466       5.929237  2.991317       2.727835  183.9672 59.81125 112.7805 40.45502 71.18666       72.20800 
1 1 1 27  25 11 o 210.8277 31.84868 11.32577       3.060097  7.523782       6.314978  12.49251       3.498260  164.4684 61.14347 219.9538 34.98191 -55.48537      70.44330 
1 1 1 27  25 12 o 76.00814 34.08996 -0.7613257     2.525831  0.7969680      5.900974  -1.110870      2.794797  121.5511 53.43415 77.91692 35.31902 43.63419       64.05186 
1 1 1 27  27 0  o 218.4469 26.09302 11.86076       2.628201  9.780025       5.346395  12.52381       3.018040  182.6730 56.48220 222.9427 29.50287 -40.26970      63.72330 
1 1 1 27  27 1  o 112.7439 38.14153 3.158724       2.405707  4.488704       5.101565  2.778403       2.728076  138.9465 54.14858 110.1664 40.32187 28.78008       67.51238 
1 1 1 27  27 2  o 211.2203 27.68599 11.16033       2.684598  -0.2794590     4.893298  16.08629       3.210984  108.0810 48.02969 254.3403 27.26320 -146.2593      55.22802 
1 1 1 27  27 3  o 288.8967 21.17982 20.28631       2.858227  13.44233       5.974288  22.31778       3.254900  213.2153 58.01860 302.1903 23.07184 -88.97505      62.43771 
1 1 1 27  27 4  o 189.6324 29.00784 9.078077       2.505335  3.085613       5.341064  10.76853       2.836782  130.8733 53.86104 206.3273 30.11535 -75.45404      61.70856 
1 1 1 27  27 5  o 130.9826 36.21697 4.518332       2.306285  12.28894       5.682137  2.985703       2.523496  204.2307 56.98376 111.2131 39.00811 93.01768       69.05637 
1 1 1 27  27 6  o 198.4128 30.24599 9.989519       2.733688  0.000000       0.000000  9.989519       2.733688  ?        ?        198.4128 30.24599 0.000000       30.24599 
1 1 1 28  0  0  o 128.1580 79.96012 2.723841       9.827504  2.723841       9.827504  2.723841       9.827504  128.1580 79.96012 128.1580 79.96012 0.000000       0.000000 
1 1 1 28  0  1  o 59.25241 41.78799 -5.439952      4.640449  -5.439952      4.640449  -5.439952      4.640449  59.25241 41.78799 59.25241 41.78799 0.000000       0.000000 
1 1 1 28  0  2  f 94.99273 57.94834 1.934602       4.892245  1.934602       4.892245  1.934602       4.892245  94.99273 57.94834 94.99273 57.94834 0.000000       0.000000 
1 1 1 28  0  3  o 108.3572 61.44656 3.715815       4.844625  3.715815       4.844625  3.715815       4.844625  108.3572 61.44656 108.3572 61.44656 0.000000       0.000000 
1 1 1 28  0  4  o 183.8832 52.52945 9.756165       3.938170  9.756165       3.938170  9.756165       3.938170  183.8832 52.52945 183.8832 52.52945 0.000000       0.000000 
1 1 1 28  0  5  o 783.8815 21.64383 145.2314       7.967175  145.2314       7.967175  145.2314       7.967175  783.8815 21.64383 783.8815 21.64383 0.000000       0.000000 
1 1 1 28  0  6  o 82.82944 51.34018 1.182307       3.984946  1.182307       3.984946  1.182307       3.984946  82.82944 51.34018 82.82944 51.34018 0.000000       0.000000 
1 1 1 28  0  7  o 772.1631 22.94035 141.0810       8.315915  141.0810       8.315915  141.0810       8.315915  772.1631 22.94035 772.1631 22.94035 0.000000       0.000000 
1 1 1 28  0  8  o 325.7212 33.96895 25.95062       5.075126  25.95062       5.075126  25.95062       5.075126  325.7212 33.96895 325.7212 33.96895 0.000000       0.000000 
1 1 1 28  0  9  o 211.9649 53.61282 12.56681       4.622611  12.56681       4.622611  12.56681       4.622611  211.9649 53.61282 211.9649 53.61282 0.000000       0.000000 
1 1 1 28  0  10 o 205.5535 56.29514 12.12311       4.706375  12.12311       4.706375  12.12311       4.706375  205.5535 56.29514 205.5535 56.29514 0.000000       0.000000 
1 1 1 28  0  11 o 725.9014 36.03903 126.3377       12.23690  126.3377       12.23690  126.3377       12.23690  725.9014 36.03903 725.9014 36.03903 0.000000       0.000000 
1 1 1 28  0  12 o 228.6132 52.10578 14.30814       4.883115  14.30814       4.883115  14.30814       4.883115  228.6132 52.10578 228.6132 52.10578 0.000000       0.000000 
1 1 1 28  0  13 o 396.4086 31.56097 38.06966       5.799405  38.06966       5.799405  38.06966       5.799405  396.4086 31.56097 396.4086 31.56097 0.000000       0.000000 
1 1 1 28  0  14 o 376.5117 32.46614 34.51633       5.651781  34.51633       5.651781  34.51633       5.651781  376.5117 32.46614 376.5117 32.46614 0.000000       0.000000 
1 1 1 28  0  15 o 127.3415 63.60616 5.935386       4.644206  5.935386       4.644206  5.935386       4.644206  127.3415 63.60616 127.3415 63.60616 0.000000       0.000000 
1 1 1 28  0  16 o 366.3879 34.21703 32.96072       5.779082  32.96072       5.779082  32.96072       5.779082  366.3879 34.21703 366.3879 34.21703 0.000000       0.000000 
1 1 1 28  0  17 o 154.9546 77.22559 9.185494       6.839786  9.185494       6.839786  9.185494       6.839786  154.9546 77.22559 154.9546 77.22559 0.000000       0.000000 
1 1 1 28  0  18 f 161.6560 81.85378 10.25565       7.749205  10.25565       7.749205  10.25565       7.749205  161.6560 81.85378 161.6560 81.85378 0.000000       0.000000 
1 1 1 28  0  19 o 933.9340 25.72113 208.4607       11.28054  208.4607       11.28054  208.4607       11.28054  933.9340 25.72113 933.9340 25.72113 0.000000       0.000000 
1 1 1 28  0  20 o 310.9993 42.20489 24.79357       5.853569  24.79357       5.853569  24.79357       5.853569  310.9993 42.20489 310.9993 42.20489 0.000000       0.000000 
1 1 1 28  0  21 o 130.9883 76.72647 6.310940       7.928252  6.310940       7.928252  6.310940       7.928252  130.9883 76.72647 130.9883 76.72647 0.000000       0.000000 
1 1 1 28  0  22 o 80.80048 52.35866 0.3531546      4.713451  0.3531546      4.713451  0.3531546      4.713451  80.80048 52.35866 80.80048 52.35866 0.000000       0.000000 
1 1 1 28  0  23 o 471.6073 31.69414 54.54243       6.958302  54.54243       6.958302  54.54243       6.958302  471.6073 31.69414 471.6073 31.69414 0.000000       0.000000 
1 1 1 28  0  24 o 78.61726 51.37151 0.1536034      4.672284  0.1536034      4.672284  0.1536034      4.672284  78.61726 51.37151 78.61726 51.37151 0.000000       0.000000 
1 1 1 28  0  25 o 84.57037 56.08734 -0.2332937     5.897874  -0.2332937     5.897874  -0.2332937     5.897874  84.57037 56.08734 84.57037 56.08734 0.000000       0.000000 
1 1 1 28  0  26 o 149.1655 74.04610 9.515459       6.278057  9.515459       6.278057  9.515459       6.278057  149.1655 74.04610 149.1655 74.04610 0.000000       0.000000 
1 1 1 28  0  27 o 194.4205 75.67219 14.49168       6.598430  14.49168       6.598430  14.49168       6.598430  194.4205 75.67219 194.4205 75.67219 0.000000       0.000000 
1 1 1 28  2  0  o 736.7658 33.88405 129.9611       11.74341  119.8276       17.19319  138.8228       16.07819  697.0077 52.83124 754.9301 45.48772 -57.92242      69.71565 
1 1 1 28  2  1  o 549.5613 26.09443 71.78413       6.745799  0.000000       0.000000  71.78413       6.745799  ?        ?        549.5613 26.09443 0.000000       26.09443 
1 1 1 28  2  2  o 235.8139 29.64660 13.45662       3.215929  13.40934       4.048784  13.53746       5.293427  233.3112 38.21433 231.3154 50.09790 1.995850       63.00901 
1 1 1 28  2  3  o 400.3818 20.62552 38.05463       3.871422  44.39612       5.047364  28.99227       6.033778  431.6541 24.96419 345.3329 37.75870 86.32120       45.26511 
1 1 1 28  2  4  o 497.9551 18.93165 58.65763       4.434534  56.57557       5.480885  62.60405       7.545784  488.2113 23.86566 510.9028 31.55205 -22.69147      39.56136 
1 1 1 28  2  5  o 427.6971 18.23517 43.26392       3.668727  45.55654       5.263867  41.09829       5.116018  436.9545 25.72286 414.7990 26.35633 22.15549       36.82827 
1 1 1 28  2  6  o 335.3952 21.79642 26.78870       3.420177  20.16524       4.661005  34.51543       5.034254  287.6943 35.17381 379.3706 28.41636 -91.67633      45.21821 
1 1 1 28  2  7  o 313.1975 23.56628 23.43734       3.446544  16.30830       4.610672  32.46580       5.188661  256.9327 39.40585 367.2181 30.30820 -110.2854      49.71326 
1 1 1 28  2  8  o 407.5214 20.06793 39.37313       3.847002  41.04102       5.469166  37.73978       5.412244  413.5306 28.28520 396.1953 29.24691 17.33533       40.68703 
1 1 1 28  2  9  o 451.2365 19.51488 48.27907       4.142280  47.74327       5.859542  48.81433       5.856595  445.9742 28.07417 451.0756 27.73554 -5.101318      39.46415 
1 1 1 28  2  10 o 599.5437 20.36443 85.35287       5.743313  87.71837       6.937897  80.20215       10.23768  606.5722 24.31510 573.2374 38.18475 33.33478       45.26918 
1 1 1 28  2  11 o 225.7142 51.29355 13.21673       5.322522  22.50892       7.493863  3.757432       7.560950  294.0115 56.23333 158.9319 64.59093 135.0796       85.63980 
1 1 1 28  2  12 o 263.0687 35.61141 17.10829       4.293572  1.653092       7.678810  24.13808       5.178784  148.3118 63.03714 313.1241 35.80305 -164.8124      72.49510 
1 1 1 28  2  13 o 321.0684 25.04699 24.83831       3.752956  25.66142       5.398439  24.06843       5.220971  322.2942 36.23615 312.0131 36.24751 10.28113       51.25369 
1 1 1 28  2  14 o 200.7765 37.84009 10.20480       3.442748  13.81509       4.937799  6.789539       4.802577  230.6409 47.10470 163.5842 53.86107 67.05666       71.55325 
1 1 1 28  2  15 o 521.7447 19.26426 64.87656       4.728024  57.80635       6.512315  72.75691       6.875313  487.9528 28.49578 549.2640 26.60983 -61.31116      38.98836 
1 1 1 28  2  16 o 125.0922 47.31147 3.212805       3.814855  8.576100       6.542333  0.4497819      4.695795  180.3767 62.83443 113.3394 48.75975 67.03726       79.53414 
1 1 1 28  2  17 o 100.1073 42.19619 0.7055951      3.394484  -1.241562      4.864136  2.554125       4.739347  105.5921 47.33644 126.7301 51.26750 -21.13797      69.77890 
1 1 1 28  2  18 o 242.1935 38.66746 15.03065       4.257151  21.38854       5.464867  5.217004       6.789503  288.0842 41.52599 156.2169 61.98079 131.8672       74.60580 
1 1 1 28  2  19 o 208.2156 39.99378 11.28543       3.774821  18.97070       5.559316  4.710942       5.141891  267.9246 45.75292 143.8852 54.80482 124.0393       71.39256 
1 1 1 28  2  20 o 223.1022 37.70382 12.83233       3.815924  10.89952       5.132991  15.22019       5.705334  197.3258 53.81345 234.3075 53.00347 -36.98164      75.53313 
1 1 1 28  2  21 o 346.5844 25.60613 29.41632       4.145113  30.37929       5.782245  28.39828       5.945304  345.7025 36.08898 332.2786 38.76537 13.42395       52.96384 
1 1 1 28  2  22 o 352.1706 28.53104 30.75902       4.685883  38.10940       8.954687  27.98727       5.498857  370.9047 52.81565 330.9455 35.89767 39.95920       63.86028 
1 1 1 28  2  23 o 247.8382 38.65909 16.12024       4.359934  4.643282       6.892387  23.77625       5.629344  147.7478 61.03553 300.0131 40.95872 -152.2653      73.50478 
1 1 1 28  2  24 o 134.7638 53.37532 4.196707       5.026896  11.79846       7.029926  -3.757432      7.191021  191.8931 65.19930 112.9753 53.07883 78.91782       84.07324 
1 1 1 28  2  25 o 326.9633 30.29331 27.20810       4.606308  28.76338       7.847907  26.39069       5.689434  310.6941 55.74550 314.1121 39.36968 -3.417969      68.24612 
1 1 1 28  2  26 o 218.3452 51.58881 14.35616       5.214538  10.60939       7.241306  18.39180       7.515262  175.4621 65.42632 230.7006 65.94687 -55.23846      92.89560 
1 1 1 28  2  27 o 202.3877 49.20861 12.45320       4.639455  12.55648       6.584600  12.35137       6.538008  187.2263 63.10291 185.9321 62.87822 1.294144       89.08225 
1 1 1 28  2  28 f 82.04993 40.64955 -9.456005      5.891150  -9.456005      5.891150  0.000000       0.000000  82.04993 40.64955 ?        ?        0.000000       40.64955 
1 1 1 28  4  0  o 365.4114 26.14837 31.91522       4.464948  42.80619       7.911978  26.82612       5.408447  419.1498 40.63844 332.6344 35.09472 86.51544       53.69471 
1 1 1 28  4  1  o 208.0130 39.16920 10.75013       3.692074  12.07788       6.199022  10.02023       4.596197  216.8155 59.14202 198.6843 49.39008 18.13113       77.05296 
1 1 1 28  4  2  o 184.7896 44.14566 8.606371       3.784808  4.247920       6.315073  11.04945       4.728040  155.8290 60.37903 208.6989 48.99858 -52.86990      77.75917 
1 1 1 28  4  3  o 117.6532 42.40946 2.858710       3.001286  4.778293       3.796476  -0.3400714     4.900829  143.2505 47.91719 114.2438 49.47837 29.00671       68.87791 
1 1 1 28  4  4  o 282.6553 27.51780 19.20706       3.612418  18.73245       4.510097  20.05648       6.033620  277.1599 35.40158 283.3987 46.89992 -6.238831      58.76117 
1 1 1 28  4  5  o 134.5137 50.08544 3.544195       4.240608  9.907848       7.223480  0.1977111      5.238266  199.9501 66.06647 120.8725 51.73558 79.07764       83.91275 
1 1 1 28  4  6  o 659.9743 16.21153 102.9464       5.032925  95.41203       6.872576  111.6601       7.390918  633.7912 23.05176 685.6760 22.91449 -51.88483      32.50319 
1 1 1 28  4  7  o 267.7362 37.68970 17.63721       4.615389  17.63721       4.615389  0.000000       0.000000  267.7362 37.68970 ?        ?        0.000000       37.68970 
1 1 1 28  4  8  o 515.9352 17.97902 63.03031       4.363456  59.63119       6.089685  66.61690       6.255366  499.3563 26.01478 528.7187 25.15120 -29.36243      36.18496 
1 1 1 28  4  9  f 270.9507 32.16124 17.89571       4.019094  19.65576       4.952472  14.50060       6.878398  282.1698 38.30130 234.2488 61.60166 47.92101       72.53795 
1 1 1 28  4  10 o 560.0010 20.55990 74.51112       5.416007  72.04444       6.474228  80.26160       9.885159  549.3109 25.05535 573.7950 36.81763 -24.48407      44.53436 
1 1 1 28  4  11 o 158.3536 42.20185 6.387168       3.200542  6.663323       4.508069  6.106513       4.544653  163.0473 52.06970 157.8588 52.41501 5.188522       73.88225 
1 1 1 28  4  12 o 238.7896 32.15229 14.02684       3.519776  13.28384       5.003761  14.75457       4.952072  226.4983 48.43069 240.1550 45.50112 -13.65665      66.45212 
1 1 1 28  4  13 o 221.7201 40.59985 12.47330       4.078418  3.073722       7.462108  16.47713       4.870183  152.7595 63.33944 254.9965 42.06867 -102.2370      76.03721 
1 1 1 28  4  14 o 392.0584 21.77739 36.83853       4.000480  42.01317       5.852440  32.30007       5.480887  415.3226 30.16168 362.8993 32.44902 52.42331       44.30199 
1 1 1 28  4  15 o 233.7665 33.13304 13.60196       3.541467  20.87479       5.308097  7.767483       4.754319  287.0949 40.42403 171.6707 53.29311 115.4242       66.88990 
1 1 1 28  4  16 o 338.0108 25.02262 27.68880       3.950354  32.06478       5.861524  24.04718       5.347131  358.9249 35.16844 309.2220 37.52955 49.70297       51.43235 
1 1 1 28  4  17 o 264.1934 30.25163 17.26467       3.691822  16.27090       5.162665  18.30469       5.281408  248.8895 45.78294 265.4165 43.83126 -16.52701      63.38183 
1 1 1 28  4  18 o 213.8329 37.00967 11.70448       3.587928  11.83099       5.109693  11.58144       5.039234  207.6046 52.33685 205.5086 52.06603 2.096024       73.82423 
1 1 1 28  4  19 f 188.5761 47.19586 9.608947       4.176644  6.646812       5.064516  15.90666       7.384600  159.0929 55.29180 232.3211 65.01168 -73.22818      85.34460 
1 1 1 28  4  20 o 86.95858 39.43329 -1.421291      3.487952  -10.53505      4.537279  11.74520       5.453580  69.93014 34.81640 203.8924 55.41211 -133.9622      65.44222 
1 1 1 28  4  21 o 311.7482 28.80908 24.09026       4.176985  19.54194       5.669825  29.48870       6.177007  269.9966 46.30896 337.8925 39.61420 -67.89597      60.94099 
1 1 1 28  4  22 o 61.94368 30.67643 -7.151096      3.343017  -6.867343      4.602873  -7.467873      4.863353  79.43574 38.64219 80.84072 39.41278 -1.404984      55.19589 
1 1 1 28  4  23 o 154.2751 51.49667 6.623180       4.384774  9.571939       8.020126  5.366010       5.236710  178.5399 68.34025 145.3942 55.32500 33.14572       87.92750 
1 1 1 28  4  24 o 111.7926 45.49140 2.195961       3.756597  -4.450060      6.133142  6.186394       4.752391  101.7274 48.16528 149.1530 53.40841 -47.42563      71.91907 
1 1 1 28  4  25 o 166.1730 47.75363 8.008881       3.930903  9.408443       6.650994  7.257552       4.873102  171.5836 62.93478 156.4654 54.24487 15.11815       83.08606 
1 1 1 28  4  26 o 138.2067 50.85273 5.428988       4.347319  8.656363       5.923561  1.661415       6.400135  163.6947 59.49154 123.6403 54.93733 40.05445       80.97749 
1 1 1 28  4  27 o 149.7171 57.00398 7.181927       5.561469  7.181927       5.561469  0.000000       0.000000  149.7171 57.00398 ?        ?        0.000000       57.00398 
1 1 1 28  4  28 o 219.4088 64.78036 18.24614       7.147069  18.24614       7.147069  0.000000       0.000000  219.4088 64.78036 ?        ?        0.000000       64.78036 
1 1 1 28  6  0  o 550.6170 20.38856 71.84687       5.280871  81.48038       9.255831  67.19746       6.430158  581.5784 33.98063 531.3245 25.72720 50.25391       42.62127 
1 1 1 28  6  1  o 801.8592 16.76744 151.9974       6.324618  168.5494       12.97958  146.8437       7.242630  838.3682 32.91217 787.4320 19.55302 50.93622       38.28226 
1 1 1 28  6  2  o 286.8542 26.09918 19.74777       3.483218  24.22117       7.099751  18.32969       3.997365  310.4294 50.34394 275.0119 31.46596 35.41751       59.36850 
1 1 1 28  6  3  o 354.2955 29.39719 30.18762       4.855121  31.18312       7.574601  29.49340       6.325372  354.4724 46.55206 347.1553 39.43375 7.317078       61.00913 
1 1 1 28  6  4  o 251.8397 29.55719 15.35857       3.434941  14.91526       4.235911  16.20987       5.869973  245.9164 37.82992 252.3229 51.20485 -6.406479      63.66349 
1 1 1 28  6  5  o 374.8768 22.15010 33.48188       3.888669  33.55917       4.743228  33.32343       6.791269  374.1220 27.13659 368.8359 39.77167 5.286072       48.14749 
1 1 1 28  6  6  o 581.3819 18.49418 80.05105       5.057849  77.00391       6.068959  86.97979       9.151568  569.2253 22.66526 600.8913 32.49733 -31.66595      39.62058 
1 1 1 28  6  7  o 181.6694 36.47589 8.247502       3.008854  11.85063       4.164875  4.314070       4.351587  216.9734 42.32611 141.4125 51.05189 75.56091       66.31588 
1 1 1 28  6  8  f 322.5022 26.00321 24.99078       3.911309  23.66284       4.786205  27.66053       6.786373  311.7004 33.15141 333.0336 44.42715 -21.33319      55.43273 
1 1 1 28  6  9  o 517.8033 20.29859 63.68966       4.944246  59.82000       5.962679  72.20571       8.845533  499.8064 25.44537 545.2087 34.67002 -45.40234      43.00555 
1 1 1 28  6  10 o 448.7526 18.93369 47.80355       3.996791  39.73385       5.428157  57.35900       5.906756  405.7982 28.61973 489.0085 25.76909 -83.21033      38.51149 
1 1 1 28  6  11 o 405.3586 19.72986 39.06617       3.762120  40.08027       5.430396  38.13024       5.216906  407.2867 28.52411 397.3683 28.09039 9.918335       40.03367 
1 1 1 28  6  12 o 240.0262 30.62542 14.13657       3.379075  11.55765       4.917226  16.44412       4.651320  209.9289 50.42596 255.7295 39.97432 -45.80055      64.34845 
1 1 1 28  6  13 o 379.3271 21.25499 34.44546       3.777390  39.83108       5.516307  29.69043       5.183304  404.9685 29.15231 348.1893 32.00449 56.77917       43.29139 
1 1 1 28  6  14 o 385.5372 25.79830 35.93588       4.651716  34.57194       9.157204  36.41025       5.400392  361.1554 55.69186 386.2808 29.95453 -25.12540      63.23651 
1 1 1 28  6  15 o 270.9000 30.15637 18.06268       3.777664  18.15399       5.968278  18.00164       4.879526  261.9629 50.26096 266.0176 40.25220 -4.054657      64.39258 
1 1 1 28  6  16 o 362.1507 22.26429 31.59871       3.774487  30.93760       5.303642  32.27720       5.372893  353.7947 32.22110 361.5852 31.91599 -7.790527      45.35229 
1 1 1 28  6  17 o 254.3980 29.45927 15.99774       3.460140  19.66191       5.101419  12.87579       4.708874  276.9459 40.34378 219.9664 46.93866 56.97945       61.89393 
1 1 1 28  6  18 o 190.3295 40.74690 9.480677       3.538026  4.208664       4.974431  14.87786       5.033135  139.4970 53.71701 236.2955 46.93548 -96.79843      71.33342 
1 1 1 28  6  19 o 156.4398 48.28479 6.542233       3.909113  3.177248       4.590201  15.42509       7.457899  128.8934 51.01883 227.9712 65.85278 -99.07771      83.30373 
1 1 1 28  6  20 o 180.1173 43.67597 8.694206       3.662355  9.968299       5.159268  7.400079       5.199672  188.1046 54.89821 164.8863 56.07297 23.21822       78.47287 
1 1 1 28  6  21 o 178.8215 42.53188 8.580284       3.525541  5.446937       4.897799  11.94958       5.078864  146.8852 53.98691 206.1485 52.29342 -59.26326      75.16108 
1 1 1 28  6  22 o 154.7341 45.32894 6.539911       3.511539  2.185644       4.845021  11.35823       5.096663  121.9333 50.83727 199.0471 53.34842 -77.11374      73.69180 
1 1 1 28  6  23 o 303.4200 31.62816 23.33521       4.447915  28.93579       7.988415  20.81876       5.354744  316.5799 55.67490 279.0170 42.10839 37.56290       69.80553 
1 1 1 28  6  24 o 256.1575 35.13981 17.10837       4.122661  16.35256       7.070425  17.49771       5.074600  225.6101 63.78329 252.1496 44.40531 -26.53941      77.71834 
1 1 1 28  6  25 o 252.0483 34.74733 16.70375       4.010254  17.95779       6.813176  16.03897       4.960592  236.7883 60.84091 237.9767 45.97701 -1.188354      76.25944 
1 1 1 28  6  26 o 129.2330 49.50893 4.464231       4.211393  1.396552       5.617586  8.400714       6.363543  117.1445 51.78764 160.3784 60.99700 -43.23389      80.01621 
1 1 1 28  6  27 o 143.8705 57.03439 6.465518       5.744614  6.465518       5.744614  0.000000       0.000000  143.8705 57.03439 ?        ?        0.000000       57.03439 
1 1 1 28  8  0  o 469.0570 19.07932 52.13734       4.209764  64.06065       8.879161  48.67996       4.781315  513.4427 37.01116 452.5862 22.45829 60.85654       43.29204 
1 1 1 28  8  1  o 246.3726 28.26842 14.69018       3.216840  17.13139       6.843488  13.99779       3.644586  256.6242 58.04873 239.1152 33.30636 17.50903       66.92509 
1 1 1 28  8  2  o 1025.617 16.85081 248.8499       8.129715  246.3139       15.90007  249.7476       9.459736  1011.810 33.40648 1026.418 19.59231 -14.60742      38.72791 
1 1 1 28  8  3  o 321.9901 24.33992 24.82035       3.659415  30.88585       7.815091  23.11695       4.141502  351.0268 48.63540 309.5906 28.76706 41.43622       56.50616 
1 1 1 28  8  4  o 439.0473 20.24873 45.73250       4.181946  51.72414       8.753893  43.96073       4.760273  459.2224 40.95345 429.1523 23.67194 30.07013       47.30270 
1 1 1 28  8  5  o 153.7367 43.66311 5.949552       3.305462  5.629690       4.069746  6.569561       5.666107  152.2514 49.55526 167.4023 58.46640 -15.15089      76.64231 
1 1 1 28  8  6  o 583.3456 19.39640 80.72352       5.322507  82.39014       6.554564  77.49703       9.119896  588.1075 23.69288 565.4507 34.45102 22.65680       41.81179 
1 1 1 28  8  7  o 345.7931 28.90774 28.87062       4.659056  28.87062       4.659056  0.000000       0.000000  345.7931 28.90774 ?        ?        0.000000       28.90774 
1 1 1 28  8  8  o 297.6128 33.66187 21.67070       4.629735  21.67070       4.629735  0.000000       0.000000  297.6128 33.66187 ?        ?        0.000000       33.66187 
1 1 1 28  8  9  o 256.3964 27.58345 15.94441       3.274487  21.83258       4.827920  10.92837       4.456050  297.9742 35.11836 205.8434 47.04663 92.13078       58.70848 
1 1 1 28  8  10 o 189.3089 35.55539 8.986698       3.049987  10.08288       4.362811  7.938871       4.265501  197.1350 47.58853 175.0680 49.55803 22.06705       68.70710 
1 1 1 28  8  11 o 219.9044 31.06199 11.91492       3.123713  15.57057       4.678843  8.975207       4.195731  248.0227 41.57437 185.5740 47.77850 62.44872       63.33414 
1 1 1 28  8  12 o 694.1029 16.76288 114.3565       5.473206  120.6695       8.069113  108.9771       7.448632  709.5226 24.17632 674.6357 23.47134 34.88696       33.69567 
1 1 1 28  8  13 o 229.6669 30.40772 13.00874       3.204345  15.97787       4.583392  10.17006       4.481579  250.9963 40.17451 196.2401 48.76308 54.75615       63.18093 
1 1 1 28  8  14 o 260.6420 30.73537 16.75399       3.695886  15.07432       5.748568  17.93747       4.825353  236.9915 52.90491 265.8627 39.80822 -28.87122      66.20894 
1 1 1 28  8  15 o 239.6303 37.30648 14.54895       4.068449  15.84721       8.236368  14.12995       4.679155  233.0632 69.71563 232.8198 44.34403 0.2434082      82.62362 
1 1 1 28  8  16 o 136.1506 43.25351 4.719391       3.113852  5.509962       4.284887  3.834666       4.532871  147.9411 50.88982 134.6351 51.41492 13.30600       72.34132 
1 1 1 28  8  17 o 200.7142 38.33038 10.39026       3.487029  9.577857       4.805033  11.29412       5.068299  186.9908 52.48223 202.8085 52.65980 -15.81772      74.34675 
1 1 1 28  8  18 o 85.93886 39.21540 -1.741509      3.518791  1.227643       4.150858  -9.325209      6.633797  111.5117 46.81388 96.05729 46.64966 15.45443       66.08881 
1 1 1 28  8  19 o 359.0206 24.11211 31.34241       4.048521  33.15511       5.547759  29.27728       5.921438  364.4111 32.71199 339.0622 37.76781 25.34891       49.96481 
1 1 1 28  8  20 o 300.2335 31.61827 22.55913       4.398335  32.70337       5.643886  6.869799       7.018928  360.6253 33.65907 164.6825 63.69801 195.9428       72.04422 
1 1 1 28  8  21 o 298.9200 27.21535 22.09041       3.784904  25.41582       5.561198  19.22090       5.165955  313.5486 38.51440 269.9054 42.05880 43.64316       57.02895 
1 1 1 28  8  22 o 299.6733 30.14246 22.54577       4.191447  29.26873       6.952293  18.70680       5.253582  328.8752 46.21478 263.7827 43.88049 65.09253       63.72835 
1 1 1 28  8  23 o 161.6744 47.13567 7.361298       3.805150  15.57670       6.563544  3.202270       4.670033  224.8645 60.65605 126.0067 50.92052 98.85777       79.19631 
1 1 1 28  8  24 o 112.0367 48.14334 1.364762       4.568291  0.000000       0.000000  1.364762       4.568291  ?        ?        112.0367 48.14334 0.000000       48.14334 
1 1 1 28  8  25 o 102.2297 45.29023 0.2510935      4.318754  1.587099       6.006088  -1.179251      6.214525  121.7725 53.70531 111.4545 51.32386 10.31802       74.28593 
1 1 1 28  8  26 o 287.5870 37.11819 22.41268       4.904210  25.51724       7.027234  19.46492       6.847461  287.6965 53.90628 242.0629 60.34634 45.63361       80.91705 
1 1 1 28  8  27 o 148.2560 50.24349 6.951879       4.174589  16.85494       6.298768  -0.8055887     5.574821  221.0883 59.32868 104.4007 48.26477 116.6876       76.48124 
1 1 1 28  10 0  o 450.3677 18.92083 48.11732       4.008453  32.28300       8.078060  53.28981       4.616971  357.3898 49.36839 473.5522 20.72622 -116.1624      53.54264 
1 1 1 28  10 1  o 198.8087 33.95326 9.796123       3.061300  7.155173       6.553449  10.53325       3.462266  175.1142 62.71609 205.3762 37.20778 -30.26196      72.92274 
1 1 1 28  10 2  o 560.6155 17.56936 74.46548       4.633298  71.87872       9.534724  75.26514       5.301302  542.5815 37.58878 563.0048 20.01710 -20.42334      42.58639 
1 1 1 28  10 3  o 218.5712 33.99340 11.79634       3.381501  14.89298       7.112642  10.89202       3.843671  236.3524 62.87593 207.8310 40.77220 28.52136       74.93834 
1 1 1 28  10 4  o 342.0325 23.40919 28.00848       3.743726  24.85137       7.844234  28.93970       4.260222  309.6733 55.90620 346.9078 26.30221 -37.23450      61.78438 
1 1 1 28  10 5  o 496.8828 19.28139 58.61029       4.506732  50.35673       9.205258  61.21227       5.168525  450.0695 44.04424 507.1788 21.66388 -57.10925      49.08379 
1 1 1 28  10 6  o 156.0592 47.13092 6.146863       3.751083  13.89715       5.133190  -2.734245      5.494930  232.3099 48.53779 108.0193 49.18008 124.2906       69.09846 
1 1 1 28  10 7  o 161.1157 49.27832 6.583350       4.082195  6.583350       4.082195  0.000000       0.000000  161.1157 49.27832 ?        ?        0.000000       49.27832 
1 1 1 28  10 8  o 385.9431 22.78236 35.66577       4.117764  32.79222       4.943015  42.18193       7.443513  368.0634 28.77862 413.2299 38.74517 -45.16650      48.26383 
1 1 1 28  10 9  o 91.21982 39.93537 -0.4751004     3.266248  2.391473       4.018918  -6.052319      5.605784  121.2211 47.81567 96.38891 45.75691 24.83221       66.18182 
1 1 1 28  10 10 o 334.8619 21.69336 26.87239       3.398758  29.90061       4.963537  24.19908       4.663610  350.2592 30.42770 314.2531 31.99436 36.00604       44.15296 
1 1 1 28  10 11 o 362.5583 21.01223 31.47633       3.568232  30.12091       5.115675  32.76058       4.979560  350.8586 31.32513 366.9735 29.08429 -16.11487      42.74529 
1 1 1 28  10 12 o 73.55011 34.14640 -2.242461      2.833929  -0.8014318     4.072159  -3.595834      3.946364  99.41080 44.01289 83.99718 39.41825 15.41361       59.08412 
1 1 1 28  10 13 o 338.6196 24.63799 27.73178       3.897616  20.90666       5.941093  32.88882       5.164299  284.0607 46.03733 366.4569 30.22821 -82.39624      55.07431 
1 1 1 28  10 14 f 145.1846 41.54795 5.456104       2.981306  3.543931       4.039733  7.743168       4.418025  129.3890 48.74511 170.5010 51.07260 -41.11195      70.60096 
1 1 1 28  10 15 o 130.9339 43.78593 4.240279       3.170049  6.544782       4.668023  2.267876       4.318593  158.7070 53.13316 121.1029 48.95716 37.60413       72.24912 
1 1 1 28  10 16 o 182.9830 47.33093 8.979882       4.104702  4.545185       7.896755  10.62168       4.804808  158.3047 65.35879 197.4691 51.27236 -39.16432      83.07001 
1 1 1 28  10 17 o 133.6739 46.49434 4.379525       3.581442  6.952033       4.235528  -2.074019      6.708547  161.2680 50.34059 119.4549 54.36873 41.81307       74.09544 
1 1 1 28  10 18 o 497.6260 19.72187 59.36689       4.616581  62.86566       6.391078  55.54932       6.675895  507.3521 26.87485 474.6399 30.05549 32.71225       40.31861 
1 1 1 28  10 19 o 275.7406 28.16432 18.79885       3.601885  15.51041       4.804261  23.01983       5.442993  242.0992 43.79784 298.6945 39.72346 -56.59534      59.12871 
1 1 1 28  10 20 o 149.4971 43.76224 5.992565       3.274078  -0.2639407     4.394662  13.79700       4.908290  103.9013 45.87548 224.7639 47.88885 -120.8626      66.31668 
1 1 1 28  10 21 o 119.3582 48.65906 2.414935       4.307909  5.362664       5.785529  -1.252973      6.453696  148.4628 57.71768 117.7969 53.50273 30.66594       78.70116 
1 1 1 28  10 22 o 369.8525 26.10956 33.81501       4.513347  36.56362       7.673363  32.36111       5.580801  367.6994 45.32259 356.1233 33.71541 11.57614       56.48775 
1 1 1 28  10 23 o 274.5463 31.30833 19.23514       3.971068  32.16409       7.257871  13.71099       4.744172  341.2919 46.41159 220.6361 47.14149 120.6558       66.15403 
1 1 1 28  10 24 o 206.3239 46.88414 12.21127       4.447001  7.553508       6.149891  17.31570       6.438015  158.2606 60.01880 235.3938 58.41755 -77.13315      83.75480 
1 1 1 28  10 25 o 98.56044 46.39686 -3.008324      5.541483  0.000000       0.000000  -3.008324      5.541483  ?        ?        98.56044 46.39686 0.000000       46.39686 
1 1 1 28  10 26 o 135.4415 49.13328 5.418643       4.037722  10.02081       5.865036  1.272295       5.567015  170.1964 59.48154 114.4214 51.01379 55.77496       78.36109 
1 1 1 28  12 0  o 277.3195 22.99239 18.47760       2.972344  23.42152       7.176751  17.45398       3.265584  300.5999 52.67388 268.6341 26.17476 31.96582       58.81884 
1 1 1 28  12 1  o 515.6929 17.23212 63.06693       4.180220  61.26635       9.015558  63.56004       4.718032  498.7411 38.73183 517.1391 19.39475 -18.39798      43.31640 
1 1 1 28  12 2  o 615.4129 17.11512 89.80360       4.954683  95.39240       10.81754  88.31989       5.573697  624.1071 37.01205 609.5952 19.43715 14.51190       41.80544 
1 1 1 28  12 3  o 512.1106 18.41803 62.26831       4.436866  72.74079       9.903984  59.63884       4.962717  543.4622 39.00038 500.4528 21.08080 43.00937       44.33317 
1 1 1 28  12 4  o 181.8391 39.08847 8.395123       3.244043  5.124852       7.076171  9.265342       3.650234  162.6943 63.67038 190.4102 41.89088 -27.71588      76.21525 
1 1 1 28  12 5  o 213.0651 41.26182 11.53314       3.986107  14.27467       7.443978  10.43101       4.719813  228.6971 65.71280 199.6834 50.27892 29.01373       82.74142 
1 1 1 28  12 6  o 345.2417 23.66836 28.62857       3.820593  26.15934       8.005374  29.35688       4.347681  315.5904 55.97447 348.6473 26.71273 -33.05698      62.02186 
1 1 1 28  12 7  o 442.7363 18.06356 46.56725       3.761990  45.27711       5.351830  47.82739       5.289237  433.3735 26.37803 445.8728 25.32257 -12.49930      36.56546 
1 1 1 28  12 8  o 176.6642 41.81877 8.038416       3.421347  14.75995       4.392697  -2.327586      5.455099  241.6308 40.04903 108.4613 49.23445 133.1695       63.46618 
1 1 1 28  12 9  o 240.1898 32.30733 14.26784       3.557694  16.96447       4.471087  9.613556       5.873921  260.1382 37.63099 189.7522 59.29107 70.38608       70.22480 
1 1 1 28  12 10 f 320.5546 25.82701 24.88751       3.861407  28.08504       4.780955  18.88823       6.548726  338.8561 30.31390 266.1533 54.14920 72.70282       62.05698 
1 1 1 28  12 11 o 301.2973 24.30202 21.95393       3.415049  21.70227       4.805499  22.21070       4.854084  295.1650 35.31120 298.6827 35.22607 -3.517639      49.87742 
1 1 1 28  12 12 o 330.1141 24.59690 26.37429       3.792156  32.58027       6.037321  22.33036       4.873502  361.5926 35.97150 299.1218 35.31692 62.47079       50.41065 
1 1 1 28  12 13 o 303.0274 27.15373 22.41357       3.829569  24.86326       5.757484  20.46983       5.128567  312.9437 40.02805 283.8628 39.47628 29.08093       56.21941 
1 1 1 28  12 14 o 364.0802 21.65680 31.91040       3.692298  32.68860       5.082135  31.04043       5.373429  364.7899 29.87860 353.9746 32.63844 10.81528       44.24928 
1 1 1 28  12 15 o 360.8885 22.05548 31.40462       3.726226  41.61304       5.521498  22.86709       5.049445  412.2724 28.64896 301.2808 36.36433 110.9916       46.29393 
1 1 1 28  12 16 f 389.6614 33.83927 37.84277       6.141067  46.01665       9.846752  32.63972       7.856117  415.5219 51.47877 351.3482 48.85580 64.17377       70.97149 
1 1 1 28  12 17 o 132.2333 44.28992 4.393841       3.243497  4.323196       4.568890  4.465617       4.605322  137.8749 51.85944 139.2399 52.12580 -1.364944      73.52891 
1 1 1 28  12 18 o 491.0646 19.85682 57.87750       4.586882  50.64186       6.104840  67.25754       6.950855  453.5939 28.76010 523.2848 28.34348 -69.69086      40.37941 
1 1 1 28  12 19 o 244.0963 30.96821 14.95548       3.475887  15.03345       4.812585  14.87044       5.025626  237.0983 44.79152 234.2475 47.23894 2.850784       65.09837 
1 1 1 28  12 20 o 129.8187 56.63078 1.318966       6.516042  0.000000       0.000000  1.318966       6.516042  ?        ?        129.8187 56.63078 0.000000       56.63078 
1 1 1 28  12 21 o 225.9514 35.19186 13.21857       3.618682  10.82937       5.994255  14.58859       4.539138  189.5412 59.99073 232.6098 43.06976 -43.06865      73.85046 
1 1 1 28  12 22 o 133.7206 51.54318 4.343642       4.583461  7.089775       6.316179  1.288942       6.661591  158.6531 60.66674 127.9025 56.47670 30.75065       82.88589 
1 1 1 28  12 23 o 84.64526 38.56865 -1.228985      3.387991  -0.9854341     6.048421  -1.340341      4.089826  112.3009 51.31047 92.46813 42.22702 19.83273       66.45213 
1 1 1 28  12 24 f 256.5192 37.94865 17.74525       4.440958  19.34899       6.343735  16.20393       6.219049  251.0360 55.22114 225.5347 58.22127 25.50127       80.24394 
1 1 1 28  12 25 o 141.1368 49.61002 5.938162       4.082647  8.674198       6.001975  3.582046       5.569697  161.1324 59.66712 127.3826 53.89104 33.74976       80.40155 
1 1 1 28  14 0  o 382.9894 19.47299 35.01897       3.496680  34.30440       7.355342  35.22762       3.974523  368.6330 43.23817 383.3050 22.13725 -14.67200      48.57569 
1 1 1 28  14 1  o 382.2659 18.44428 34.75187       3.316626  31.74792       7.724568  35.43081       3.672355  351.9467 47.90269 385.0081 20.34936 -33.06134      52.04579 
1 1 1 28  14 2  o 156.0078 39.24720 6.235621       2.877671  5.972057       6.573260  6.298111       3.200684  164.1121 62.09544 156.4232 42.42547 7.688904       75.20481 
1 1 1 28  14 3  o 290.4498 24.53098 20.36692       3.320271  17.36921       7.058254  21.21877       3.762567  252.7832 60.21729 295.5899 27.37049 -42.80663      66.14579 
1 1 1 28  14 4  o 225.5280 36.57597 12.76463       3.747389  16.69441       7.285201  11.35075       4.369827  246.3865 62.70108 209.0247 45.71538 37.36182       77.59718 
1 1 1 28  14 5  o 339.9138 23.34336 27.79575       3.709892  27.67836       7.858214  27.82942       4.208407  324.8436 53.27295 339.0009 26.60413 -14.15735      59.54652 
1 1 1 28  14 6  o 122.2497 43.44770 3.365608       3.139430  -1.390904      6.756910  4.675119       3.545345  125.1256 55.96348 138.3424 46.30510 -13.21681      72.63658 
1 1 1 28  14 7  o 403.6037 21.26357 39.02924       4.022774  48.51368       9.244283  36.81363       4.468004  436.4592 45.70340 390.8025 24.42706 45.65677       51.82164 
1 1 1 28  14 8  o 382.7759 23.84576 35.30431       4.272308  28.90607       8.328658  37.58910       4.977003  329.2693 55.76214 393.6873 27.03883 -64.41809      61.97189 
1 1 1 28  14 9  o 207.3397 36.87674 10.89902       3.464895  13.47108       4.287707  6.058264       5.882219  229.1530 41.29587 160.0380 59.10718 69.11496       72.10415 
1 1 1 28  14 10 o 358.1693 24.12370 30.98953       4.040778  28.29627       4.912621  36.62307       7.105014  339.2094 31.13512 380.9848 40.25455 -41.77536      50.89032 
1 1 1 28  14 11 o 226.1646 38.73452 13.05124       3.972678  17.37812       5.216176  7.074912       6.130309  258.8404 44.44096 167.7280 60.58752 91.11234       75.13885 
1 1 1 28  14 12 o 529.5172 17.64435 66.80588       4.394961  62.55274       6.079983  71.46026       6.360316  508.8920 25.39846 544.2281 24.84439 -35.33606      35.52923 
1 1 1 28  14 13 o 121.0847 42.45170 3.434341       2.988547  2.491360       4.126821  4.474210       4.333648  121.1426 48.24073 138.9226 50.82453 -17.77999      70.07354 
1 1 1 28  14 14 o 263.9562 41.84638 17.98354       5.022550  14.43817       7.803905  20.49049       6.562278  221.9437 68.17612 275.5430 52.54639 -53.59930      86.07616 
1 1 1 28  14 15 o 78.80366 36.64096 -2.497210      3.283014  -2.326962      3.898960  -2.912010      6.085947  88.29673 40.65725 110.5708 50.86989 -22.27404      65.12110 
1 1 1 28  14 16 o 389.6128 21.27312 36.59064       3.884078  40.84769       5.519161  32.41360       5.467042  407.5868 28.97491 360.7922 32.56357 46.79459       43.58820 
1 1 1 28  14 17 o 117.2567 46.76719 2.408994       3.884194  2.015161       7.690967  2.543838       4.500284  142.9561 61.94813 123.3186 49.93311 19.63750       79.56687 
1 1 1 28  14 18 o 195.7144 37.40104 9.961720       3.317773  8.516677       4.586229  11.54826       4.805530  174.8670 51.95776 204.0789 50.36497 -29.21187      72.36186 
1 1 1 28  14 19 o 158.9465 44.47823 6.868766       3.456547  9.357908       5.279964  5.001910       4.572583  180.3413 56.19113 141.4313 52.13634 38.91002       76.65273 
1 1 1 28  14 20 o 88.38012 39.10367 -0.3927464     3.209289  6.376338       4.989331  -5.169979      4.191463  152.9813 54.72950 79.33183 38.16879 73.64944       66.72462 
1 1 1 28  14 21 o 255.9499 35.93259 17.07191       4.207074  21.32878       6.027953  13.02913       5.874419  276.7345 48.04897 207.1960 57.98552 69.53850       75.30620 
1 1 1 28  14 22 o 211.5060 37.68388 11.95364       3.611821  8.944710       5.753301  13.91085       4.640124  170.3416 58.94712 222.4681 45.86392 -52.12651      74.68776 
1 1 1 28  14 23 o 132.6388 48.17371 4.801554       3.883214  12.30975       5.715789  -1.634661      5.292046  196.3340 57.92176 102.3290 47.20780 94.00494       74.72287 
1 1 1 28  14 24 o 132.2399 48.61363 4.921315       3.971645  -4.146849      5.394930  15.65101       5.868403  92.98945 44.35371 221.2928 56.25289 -128.3034      71.63546 
1 1 1 28  16 0  o 124.3151 37.53402 3.887729       2.379235  8.118312       6.290601  3.181516       2.570158  176.6009 61.60839 115.9973 39.42274 60.60360       73.14195 
1 1 1 28  16 1  o 188.2876 27.89022 8.752841       2.395549  11.23068       6.379856  8.346151       2.584675  201.7231 61.58778 182.7355 31.18798 18.98764       69.03437 
1 1 1 28  16 2  o 130.5980 38.93602 4.319922       2.572242  3.106421       6.152156  4.576994       2.831620  141.9410 58.03960 134.4180 41.02860 7.523010       71.07701 
1 1 1 28  16 3  o 344.0170 23.39309 28.53411       3.763129  24.00714       7.520874  30.04599       4.346325  299.1885 55.48139 351.8726 26.45190 -52.68405      61.46452 
1 1 1 28  16 4  o 456.8493 17.84496 49.68304       3.834934  54.22117       8.719466  48.59468       4.270103  464.5957 40.29659 451.0858 20.12380 13.50995       45.04200 
1 1 1 28  16 5  o 166.1373 37.77261 7.091746       2.885174  3.457194       6.956926  7.846709       3.170697  149.2460 61.45231 174.3576 39.56538 -25.11156      73.08765 
1 1 1 28  16 6  o 479.8584 19.11600 54.92601       4.314987  66.05232       10.12634  52.45755       4.769686  510.9291 42.51913 468.0223 21.66476 42.90686       47.72042 
1 1 1 28  16 7  o 138.6030 45.34845 4.811843       3.406455  9.033889       7.199346  3.593935       3.866685  184.9368 65.78706 128.8612 47.85680 56.07559       81.35238 
1 1 1 28  16 8  o 119.9959 47.22382 2.531357       3.911646  -5.005946      7.248693  5.628029       4.646215  115.2650 53.87761 151.0070 52.93217 -35.74193      75.52888 
1 1 1 28  16 9  o 220.4657 66.92257 13.93876       7.548835  13.93876       7.548835  0.000000       0.000000  220.4657 66.92257 ?        ?        0.000000       66.92257 
1 1 1 28  16 10 o 238.6575 38.18889 14.48890       4.142722  12.60107       5.330166  17.36921       6.583831  215.4085 52.97170 251.3884 56.99011 -35.97987      77.80665 
1 1 1 28  16 11 o 461.5755 20.81095 51.02771       4.518600  49.18943       5.434969  55.14269       8.131604  450.3653 25.76140 469.5035 37.12142 -19.13821      45.18462 
1 1 1 28  16 12 o 88.14556 38.86728 -0.5285335     3.144258  0.8503032      3.791682  -3.564209      5.626045  105.6886 44.57528 103.7641 48.15171 1.924469       65.61663 
1 1 1 28  16 13 o 59.15427 29.03016 -5.289417      2.770745  -5.734081      3.717673  -4.733809      4.155658  72.22701 35.04106 81.74390 38.97262 -9.516891      52.40936 
1 1 1 28  16 14 o 281.0020 28.80138 19.47054       3.753294  19.16940       4.516481  20.14269       6.747618  275.4964 35.68977 270.7492 54.85968 4.747253       65.44727 
1 1 1 28  16 15 o 125.9555 41.40714 3.980624       2.838815  9.051616       3.891526  -1.787319      4.150342  183.7238 45.31170 93.88097 42.74246 89.84281       62.29019 
1 1 1 28  16 16 o 101.0398 40.52760 1.576632       2.934376  4.528607       4.021648  -1.784186      4.291115  136.2758 49.09564 95.32355 43.42324 40.95229       65.54357 
1 1 1 28  16 17 o 164.1817 39.64541 7.143411       3.027253  6.445459       4.130791  7.953141       4.449293  154.4174 49.89920 169.3496 51.37184 -14.93216      71.61700 
1 1 1 28  16 18 o 337.9483 29.75290 28.48491       4.681637  29.51843       8.981633  28.09935       5.485822  315.9699 62.64151 331.5614 35.73775 -15.59149      72.11897 
1 1 1 28  16 19 o 329.6118 26.00913 26.83735       3.999952  32.58027       6.252178  22.85797       5.204429  354.0905 38.13765 296.0139 38.27210 58.07657       54.02993 
1 1 1 28  16 20 o 243.7487 32.23216 15.22163       3.605085  9.117124       5.701289  19.28856       4.653520  174.0283 58.71768 271.1114 37.49266 -97.08307      69.66682 
1 1 1 28  16 21 o 104.8082 42.11246 2.011569       3.174394  -0.2347800     5.100677  3.431630       4.055484  108.0284 48.44799 122.8233 48.16430 -14.79493      68.31550 
1 1 1 28  16 22 o 232.4703 37.52924 14.52236       3.964204  25.52616       6.008512  6.040429       5.275249  303.5409 43.30843 145.6493 55.50276 157.8917       70.40012 
1 1 1 28  18 0  o 136.2723 48.74278 4.399825       3.957318  10.99881       6.225674  -0.7413793E-01 5.126181  198.2543 60.89230 114.2793 50.03032 83.97500       78.80930 
1 1 1 28  18 1  o 124.7567 38.60050 3.920481       2.496554  11.45065       6.252587  2.492271       2.723035  202.2550 60.79733 108.8709 40.21452 93.38406       72.89391 
1 1 1 28  18 2  o 101.4018 37.93473 2.054010       2.438276  2.792806       5.912617  1.902624       2.676455  137.4408 56.62918 102.2433 39.39357 35.19746       68.98346 
1 1 1 28  18 3  o 341.8904 18.44355 27.95769       2.955228  33.65042       7.585764  26.93913       3.208736  360.8279 45.71745 334.9426 20.46363 25.88531       50.08838 
1 1 1 28  18 4  o 206.6149 28.35815 10.54518       2.683491  10.71938       6.783860  10.51287       2.921806  196.2520 63.98509 205.2776 31.24385 -9.025543      71.20583 
1 1 1 28  18 5  o 137.1596 39.60690 4.833798       2.698218  -7.737813      6.824770  7.162878       2.937546  102.9427 49.31380 166.5250 38.29907 -63.58226      62.43933 
1 1 1 28  18 6  o 109.8552 40.73235 2.512585       2.798874  -1.288942      7.266192  3.174895       3.032903  128.4923 57.71130 118.7466 42.65066 9.745712       71.76122 
1 1 1 28  18 7  o 297.9158 24.93897 21.55044       3.462802  37.48514       8.454865  18.33880       3.795760  378.9643 48.54433 272.6935 30.09187 106.2708       57.11456 
1 1 1 28  18 8  o 346.7085 22.63565 28.99466       3.671444  35.61237       8.750111  27.58064       4.044712  366.3005 52.26358 336.8961 25.71671 29.40436       58.24801 
1 1 1 28  18 9  o 261.6022 31.95149 17.00853       3.850181  0.000000       0.000000  17.00853       3.850181  ?        ?        261.6022 31.95149 0.000000       31.95149 
1 1 1 28  18 10 o 164.7323 41.62330 7.113935       3.226662  2.633175       6.983386  8.330181       3.638321  143.5857 60.52282 177.6232 43.81622 -34.03745      74.71862 
1 1 1 28  18 11 o 124.7595 40.22500 3.892197       2.685484  1.533161       3.526743  7.147586       4.142933  107.7181 43.98313 163.6581 49.55521 -55.93997      66.25885 
1 1 1 28  18 12 o 125.5524 42.60512 3.862107       3.001810  4.330625       3.534109  2.648633       5.687637  133.0305 46.19086 133.9240 55.39473 -0.8934784     72.12608 
1 1 1 28  18 13 o 189.7222 43.41139 9.550899       3.790395  9.550899       3.790395  0.000000       0.000000  189.7222 43.41139 ?        ?        0.000000       43.41139 
1 1 1 28  18 14 o 382.4583 19.67767 35.17391       3.528198  32.49406       4.755590  38.45489       5.262003  363.4882 28.02918 395.3052 28.48854 -31.81696      39.96538 
1 1 1 28  18 15 o 80.42263 35.79871 -0.6711879     2.729733  -2.805490      3.609689  2.179737       4.171908  81.56144 38.08888 117.6084 47.90835 -36.04697      61.20435 
1 1 1 28  18 16 o 199.0528 34.24627 10.17568       3.091007  6.178570       3.974644  16.29243       4.916827  151.2779 48.95351 247.1361 43.90240 -95.85826      65.75612 
1 1 1 28  18 17 o 285.5875 25.13304 20.07616       3.342004  23.48064       4.516999  15.95840       4.967697  305.0073 31.95717 242.7931 45.15805 62.21417       55.32188 
1 1 1 28  18 18 o 166.7098 41.60141 7.560026       3.251929  4.598692       5.033165  9.682052       4.260619  138.6422 53.85236 185.2492 48.37026 -46.60703      72.38618 
1 1 1 28  18 19 o 97.88184 43.21379 -0.6774383E-01 3.898632  0.000000       0.000000  -0.6774383E-01 3.898632  ?        ?        97.88184 43.21379 0.000000       43.21379 
1 1 1 28  18 20 o 131.3442 43.19950 4.694095       3.089761  5.130797       5.122058  4.444286       3.873969  140.1607 54.35815 130.5133 48.00710 9.647339       72.52235 
1 1 1 28  18 21 f 184.6159 46.08767 9.857026       3.990012  15.03865       5.921124  5.546968       5.400239  218.8444 56.96410 142.1000 55.61874 76.74434       79.61378 
1 1 1 28  20 0  o 201.0367 30.60636 10.10242       2.803023  7.568372       6.359399  10.71344       3.122725  170.5424 61.69307 206.0649 33.35504 -35.52254      70.13268 
1 1 1 28  20 1  o 275.2988 20.42414 18.25083       2.626094  24.19739       6.801347  17.20897       2.846865  301.9207 49.61241 266.4727 22.93491 35.44803       54.65713 
1 1 1 28  20 2  o 186.6770 24.98306 8.556927       2.138825  10.96909       6.597839  8.273675       2.260917  197.2719 62.99205 182.8387 27.10857 14.43326       68.57749 
1 1 1 28  20 3  f 462.4695 15.75333 50.84988       3.427084  39.23901       8.229809  53.28570       3.769462  389.0407 45.85085 473.0199 16.94067 -83.97913      48.88033 
1 1 1 28  20 4  o 324.1265 18.91638 25.17599       2.871649  26.92331       7.717474  24.89519       3.093803  316.1312 53.82523 321.7763 20.54669 -5.645111      57.61356 
1 1 1 28  20 5  o 297.0527 20.73751 21.24011       2.879560  10.55589       7.630566  23.01430       3.109468  194.3717 67.85091 308.9963 21.52707 -114.6246      71.18399 
1 1 1 28  20 6  o 229.3177 26.46180 12.90028       2.802079  12.66944       6.860153  12.94650       3.069839  210.5418 63.77161 228.7345 29.19687 -18.19266      70.13754 
1 1 1 28  20 7  o 121.9347 40.27382 3.659884       2.684385  2.174198       6.283730  3.991543       2.968930  136.0478 57.38174 127.1112 42.37243 8.936569       71.33082 
1 1 1 28  20 8  o 170.9109 40.42904 7.641498       3.199494  0.000000       0.000000  7.641498       3.199494  ?        ?        170.9109 40.42904 0.000000       40.42904 
1 1 1 28  20 9  o 255.0817 27.92533 16.02332       3.296049  19.28062       7.317052  15.19411       3.691828  260.7521 60.77697 246.3203 32.66783 14.43176       69.00020 
1 1 1 28  20 10 f 272.7318 27.06044 18.26455       3.425851  28.61177       8.096028  16.00769       3.781048  323.3001 55.21762 252.7985 32.55198 70.50160       64.09850 
1 1 1 28  20 11 o 231.1816 30.26480 13.33018       3.212210  19.94055       7.759667  11.96313       3.528762  261.7526 63.63816 216.3638 35.93162 45.38881       73.08144 
1 1 1 28  20 12 o 503.8164 21.59452 61.14496       5.117823  55.85613       9.042756  63.63736       6.207681  465.3748 41.75158 510.7467 25.92273 -45.37192      49.14450 
1 1 1 28  20 13 o 223.3277 33.56144 12.66963       3.416718  10.21317       3.939798  20.12188       6.862196  195.1274 43.97559 266.8913 56.42348 -71.76393      71.53644 
1 1 1 28  20 14 o 124.3619 43.78989 3.790086       3.181966  3.842121       3.750291  3.656362       6.012079  127.8165 47.19787 139.6597 57.27169 -11.84319      74.21378 
1 1 1 28  20 15 o 318.2885 22.20274 24.65892       3.303451  21.24591       4.429776  28.93502       4.958352  289.4230 33.13416 339.3900 31.41397 -49.96704      45.65862 
1 1 1 28  20 16 o 216.8350 29.20168 11.85149       2.902821  9.646570       3.957714  14.41873       4.270526  186.8839 45.45606 232.9744 40.43400 -46.09053      60.83717 
1 1 1 28  20 17 o 87.84747 38.24232 0.7737737E-01  2.957846  2.185494       4.836634  -1.182073      3.738405  120.4312 50.54451 90.04677 40.83016 30.38438       64.97575 
1 1 1 28  20 18 o 87.50966 38.19640 0.6667460E-01  2.968139  3.501784       4.948137  -1.864064      3.709652  128.6994 52.27234 85.76958 39.55308 42.92977       65.55032 
1 1 1 28  22 0  o 191.2649 27.70947 9.093290       2.420444  13.22533       5.978759  8.283316       2.647066  215.8632 57.74934 180.6933 32.32943 35.16994       66.18291 
1 1 1 28  22 1  o 240.1508 20.92493 13.95280       2.340216  25.84126       6.712428  12.30781       2.496877  312.5812 47.11375 224.4384 24.02302 88.14279       52.88488 
1 1 1 28  22 2  f 149.8058 30.30677 5.689226       2.062339  5.909632       6.351594  5.663250       2.180481  157.9866 60.73526 148.9223 32.07383 9.064316       68.68407 
1 1 1 28  22 3  o 316.2213 18.63965 23.99163       2.760409  0.000000       0.000000  23.99163       2.760409  ?        ?        316.2213 18.63965 0.000000       18.63965 
1 1 1 28  22 4  o 128.1614 35.72924 4.228674       2.234844  -1.312129      6.365504  5.007664       2.386780  119.2882 53.75643 139.0357 36.15480 -19.74747      64.78366 
1 1 1 28  22 5  o 167.2612 30.84843 7.071959       2.337734  14.34602       7.117688  6.192406       2.475037  221.3651 64.44575 155.0048 34.79734 66.36032       73.24008 
1 1 1 28  22 6  o 428.9300 16.57107 43.85535       3.343538  35.99881       8.325175  45.36629       3.650918  367.7767 49.36802 435.8078 17.80893 -68.03104      52.48199 
1 1 1 28  22 7  o 296.7447 22.94008 21.37069       3.177320  0.000000       0.000000  21.37069       3.177320  ?        ?        296.7447 22.94008 0.000000       22.94008 
1 1 1 28  22 8  o 262.6258 23.55167 16.80261       2.878651  20.35672       6.862889  16.04379       3.171097  270.1306 55.85335 255.2927 26.80614 14.83794       61.95293 
1 1 1 28  22 9  o 135.6436 40.26612 4.803554       2.755395  13.09453       6.578695  3.039698       3.034369  211.4223 62.07436 116.1739 42.52453 95.24838       75.24335 
1 1 1 28  22 10 o 117.2616 40.16140 3.356254       2.667573  8.754459       6.425809  2.232237       2.932172  176.4844 62.21938 107.0100 41.23186 69.47440       74.64126 
1 1 1 28  22 11 o 125.1862 41.68884 3.969145       2.874171  -0.2307075     6.176851  5.129779       3.247115  120.8047 53.80665 139.5067 44.15341 -18.70207      69.60373 
1 1 1 28  22 12 o 283.8077 23.69465 19.69904       3.134396  23.43341       6.875865  18.71946       3.521578  290.3604 52.26277 274.7497 27.62203 15.61075       59.11323 
1 1 1 28  22 13 o 278.2191 23.50656 18.95672       3.047623  9.182522       6.322132  21.91562       3.478464  176.9494 61.76075 298.5201 25.00129 -121.5707      66.62923 
1 1 1 28  22 14 o 217.9829 45.49672 13.04153       4.514456  16.57551       6.418128  9.580857       6.351209  236.2746 58.14155 178.7207 61.92946 57.55388       84.94527 
1 1 1 28  22 15 o 133.1031 43.48852 4.737267       3.133163  5.975336       3.743741  1.842747       5.724292  146.9799 47.50481 124.8130 53.76508 22.16689       71.74532 
1 1 1 28  22 16 o 112.6458 41.19735 3.038472       2.847038  1.323127       4.527620  4.160326       3.661529  111.9818 48.01873 127.8458 46.72562 -15.86401      67.00060 
1 1 1 28  24 0  o 197.8197 29.95837 9.854711       2.700510  8.326398       5.982262  10.24586       3.026419  172.0980 60.07715 200.3125 33.28651 -28.21445      68.68228 
1 1 1 28  24 1  o 238.8275 25.76958 14.05685       2.849212  20.30618       6.646231  12.64975       3.153706  269.2450 54.34878 224.3158 30.69285 44.92920       62.41667 
1 1 1 28  24 2  o 143.6194 32.87218 5.326109       2.172826  8.035078       6.592634  4.995986       2.301415  171.0671 62.67127 138.4520 35.24545 32.61510       71.90222 
1 1 1 28  24 3  o 125.3885 34.22664 4.069563       2.075310  7.464329       6.783363  3.719000       2.179832  167.5791 63.15875 120.2757 35.83975 47.30338       72.61897 
1 1 1 28  24 4  o 164.2433 30.02628 6.840200       2.234355  12.50297       6.842002  6.164206       2.363960  204.6079 64.00013 154.5068 33.49170 50.10114       72.23372 
1 1 1 28  24 5  o 81.37251 33.52283 0.6916547      2.071590  1.490785       6.287136  0.5943282      2.194117  129.9709 56.16551 82.26120 34.24661 47.70967       65.78294 
1 1 1 28  24 6  o 290.9176 21.91946 20.55526       2.977603  0.000000       0.000000  20.55526       2.977603  ?        ?        290.9176 21.91946 0.000000       21.91946 
1 1 1 28  24 7  o 369.9120 18.26101 32.80661       3.177551  37.03924       7.416144  31.85485       3.516706  375.7990 42.71075 362.9930 20.68093 12.80594       47.45428 
1 1 1 28  24 8  o 247.1602 24.46709 15.00779       2.807294  13.79310       6.356184  15.30216       3.129017  215.6108 60.30788 248.3623 27.22908 -32.75154      66.16996 
1 1 1 28  24 9  f 69.07858 31.90526 -1.629046      2.427660  -6.837099      5.505230  -0.3718240     2.704854  89.70999 43.30331 81.74256 36.04633 7.967430       56.34283 
1 1 1 28  24 10 o 181.4658 32.55325 8.467274       2.676708  15.25565       6.092537  6.843559       2.979683  228.2888 56.92834 159.7821 39.79385 68.50670       69.45780 
1 1 1 28  24 11 f 194.1389 36.21746 9.870181       3.185837  0.000000       0.000000  9.870181       3.185837  ?        ?        194.1389 36.21746 0.000000       36.21746 
1 1 1 28  24 12 o 63.84377 31.17312 -5.113118      3.075078  -10.04162      6.753026  -3.823825      3.453956  93.14139 45.62987 74.17368 35.40950 18.96771       57.75740 
1 1 1 28  26 0  o 249.3999 27.47758 15.52955       3.170128  18.17182       5.934509  14.47450       3.750000  253.2869 51.56135 236.7492 34.70254 16.53775       62.15174 
1 1 1 28  26 1  o 135.7291 41.47465 4.927846       2.892440  11.20690       5.745742  2.796507       3.347537  193.5563 58.30331 114.5396 44.07729 79.01670       73.08956 
1 1 1 28  26 2  o 114.7785 38.21317 3.327786       2.414956  8.029133       5.380462  2.141738       2.702462  167.0228 57.03829 103.0371 39.61539 63.98578       69.44599 
1 1 1 28  26 3  o 335.5603 18.69133 27.17082       2.938683  17.44649       5.778216  30.56361       3.413045  248.9022 51.06353 355.0458 20.52317 -106.1436      55.03349 
1 1 1 28  26 4  o 106.7913 37.60163 2.722855       2.346159  -0.4423306E-01 5.169225  3.440758       2.632976  111.5088 49.46798 117.0787 39.90106 -5.569908      63.55450 
1 1 1 28  26 5  o 98.87302 38.24990 1.897848       2.531260  0.000000       0.000000  1.897848       2.531260  ?        ?        98.87302 38.24990 0.000000       38.24990 
1 1 1 28  26 6  o 176.1279 30.51498 7.933187       2.436604  5.184305       5.501184  8.604083       2.717727  144.8664 56.29203 182.4870 32.86842 -37.62062      65.18532 
1 1 1 28  26 7  o 286.7151 20.06959 19.95936       2.689743  16.78062       6.308681  20.66556       2.973552  238.0518 57.07668 290.9142 21.88952 -52.86232      61.13018 
1 1 1 29  1  0  o 141.5864 46.78185 4.744811       3.621923  5.647497       5.239259  3.918539       5.012602  158.4578 56.14772 143.2091 54.21581 15.24872       78.05075 
1 1 1 29  1  1  o 157.9258 41.48682 6.279211       3.121909  10.90666       6.225616  4.724661       3.608394  205.7208 60.38143 141.3252 46.69433 64.39554       76.33006 
1 1 1 29  1  2  o 517.8265 16.32302 63.39438       3.976069  63.84593       5.718523  62.97178       5.532130  518.2476 23.45726 514.8282 22.84340 3.419312       32.74239 
1 1 1 29  1  3  o 695.5037 15.40746 114.3041       5.040804  105.6634       6.908731  124.1406       7.371274  667.0854 22.01646 723.1702 21.66869 -56.08478      30.89105 
1 1 1 29  1  4  o 235.3925 26.95957 13.38714       2.931381  10.51161       4.033668  16.60556       4.267396  204.0055 43.36874 260.1306 35.82433 -56.12514      56.25149 
1 1 1 29  1  5  o 224.0290 30.17887 12.23112       3.099443  6.087857       4.243098  19.25901       4.538329  157.6580 50.53398 280.5477 35.16138 -122.8897      61.56303 
1 1 1 29  1  6  o 303.2337 23.06321 21.99836       3.265117  18.33527       4.519703  25.99684       4.722088  273.2245 36.04586 327.6897 31.00231 -54.46518      47.54416 
1 1 1 29  1  7  o 226.6502 29.86738 12.52651       3.106803  15.62081       4.472467  9.641021       4.318922  250.6705 39.21446 193.8162 47.69540 56.85435       61.74646 
1 1 1 29  1  8  o 619.4369 17.11285 90.88802       4.986418  90.62926       7.007037  91.15351       7.097555  616.3976 24.16596 618.0899 24.41113 -1.692261      34.34963 
1 1 1 29  1  9  o 492.3874 22.04254 57.73861       5.105494  64.12672       6.396194  46.52200       8.475514  516.8898 26.39396 433.1717 42.12755 83.71805       49.71289 
1 1 1 29  1  10 o 154.2966 46.80235 6.020533       3.693066  0.1597800      6.686432  8.593246       4.430099  132.9185 57.67974 181.8924 50.15488 -48.97389      76.43602 
1 1 1 29  1  11 o 191.4869 37.12960 9.249475       3.223767  16.90743       4.637093  2.085929       4.484906  259.7650 39.16543 123.2846 49.87279 136.4805       63.41314 
1 1 1 29  1  12 o 269.3751 27.69967 17.65691       3.459943  23.05048       5.018808  12.77181       4.776385  305.0736 35.64452 221.5834 47.26582 83.49020       59.19957 
1 1 1 29  1  13 o 188.2592 39.23634 9.068840       3.361998  13.05946       4.708697  4.918786       4.801838  223.9669 46.22649 146.6909 53.52491 77.27599       70.72343 
1 1 1 29  1  14 o 330.5771 34.04140 27.07635       5.217883  24.67896       8.390817  28.58800       6.662844  299.1842 61.67072 334.7271 43.33261 -35.54294      75.37236 
1 1 1 29  1  15 o 141.5884 45.82799 5.089516       3.483167  7.216683       5.079298  3.201165       4.785687  165.9636 55.42508 131.9570 52.13748 34.00658       76.09373 
1 1 1 29  1  16 o 204.9562 49.46718 11.33610       4.714754  14.90488       6.591770  7.598098       6.746251  229.4987 60.28144 171.9478 63.33611 57.55086       87.43749 
1 1 1 29  1  17 o 107.6418 43.55099 1.699320       3.420493  10.69082       4.846508  -7.224234      4.828161  197.3226 51.62098 82.00187 39.81775 115.3207       65.19340 
1 1 1 29  1  18 o 319.0830 27.29368 25.01054       4.057287  29.56659       5.998434  21.16826       5.508556  340.5924 38.09214 285.0593 42.36892 55.53311       56.97488 
1 1 1 29  1  19 o 130.5288 45.82433 4.196448       3.482822  7.375368       4.969493  1.127767       4.882566  164.3862 54.82109 117.1447 50.03902 47.24154       74.22437 
1 1 1 29  1  20 o 123.1385 51.46112 2.062068       4.981318  -1.695601      6.765781  6.510108       7.361106  119.6377 54.50921 162.9345 64.57156 -43.29676      84.50290 
1 1 1 29  1  21 o 393.3716 24.41188 37.84309       4.494941  38.82441       6.481963  36.93407       6.238630  390.1691 35.71323 380.8974 35.21732 9.271729       50.15670 
1 1 1 29  1  22 o 250.5495 32.07876 15.96917       3.693957  18.91426       5.308946  13.20522       5.143090  264.7039 44.19442 215.2695 51.48338 49.43443       67.85046 
1 1 1 29  1  23 o 247.2769 33.86296 15.79431       3.835439  19.53731       5.525338  12.31353       5.328287  266.3774 45.74317 203.8064 54.51472 62.57104       71.16384 
1 1 1 29  1  24 o 129.4829 47.29818 4.374824       3.751080  7.925090       6.538769  2.633336       4.579581  162.1374 61.79150 120.0009 49.67702 42.13650       79.28427 
1 1 1 29  1  25 o 112.3537 47.77888 1.856179       4.415576  8.153984       6.518528  -3.483948      6.002480  160.5245 61.57156 101.4864 47.92957 59.03803       78.02757 
1 1 1 29  1  26 o 85.93959 40.43375 -2.673110      4.198066  2.692331       6.064437  -7.609989      5.817201  124.8988 54.55473 86.92828 42.53591 37.97047       69.17747 
1 1 1 29  1  27 o 145.5112 60.01598 6.947087       6.649432  6.947087       6.649432  0.000000       0.000000  145.5112 60.01598 ?        ?        0.000000       60.01598 
1 1 1 29  3  0  o 326.0120 29.46192 25.63331       4.469365  32.25327       7.271980  21.61480       5.665756  361.0708 43.70446 295.3049 41.96745 65.76596       60.59163 
1 1 1 29  3  1  o 657.7530 16.71402 102.3285       5.171457  99.10822       10.09569  103.4740       6.021445  641.0854 33.59421 660.7916 19.37166 -19.70612      38.77928 
1 1 1 29  3  2  o 447.3578 21.12983 47.49369       4.446521  36.02854       8.074162  52.48447       5.327110  380.9655 45.98503 469.0165 24.22812 -88.05099      51.97716 
1 1 1 29  3  3  o 308.7122 21.79097 22.74149       3.144137  22.58082       4.482807  22.89705       4.411025  305.2031 31.68604 307.5768 30.90529 -2.373657      44.26220 
1 1 1 29  3  4  o 410.6949 18.77515 39.96338       3.627204  45.13347       5.225480  35.15593       5.038888  434.3446 25.68964 382.4637 28.20660 51.88089       38.15194 
1 1 1 29  3  5  o 442.5125 18.67151 46.40271       3.886639  44.02248       5.412095  48.93750       5.585060  428.4695 26.98991 452.0273 26.38058 -23.55774      37.74110 
1 1 1 29  3  6  o 485.0814 17.74849 55.73465       4.049910  54.47782       5.704082  57.01228       5.751081  477.1523 25.50558 488.2767 25.12398 -11.12442      35.80152 
1 1 1 29  3  7  o 237.2242 35.25557 13.89162       3.814558  10.93545       4.519802  21.20987       7.111444  206.3873 47.53554 286.3792 54.78564 -79.99188      72.53339 
1 1 1 29  3  8  o 323.9596 34.67790 25.68653       5.202530  25.72830       7.512907  25.64804       7.211334  316.7766 52.23921 317.3528 49.95790 -0.5761414     72.28227 
1 1 1 29  3  9  o 416.3235 20.36606 41.21548       3.988479  47.10667       5.761430  35.79397       5.526994  442.1784 27.84113 384.1402 30.84666 58.03818       41.55291 
1 1 1 29  3  10 o 345.8713 33.50996 29.27645       5.383647  0.000000       0.000000  29.27645       5.383647  ?        ?        345.8713 33.50996 0.000000       33.50996 
1 1 1 29  3  11 o 255.2236 34.46237 16.12763       4.031676  11.49524       7.844696  17.79037       4.699865  206.9926 68.87063 266.6606 38.58973 -59.66798      78.94511 
1 1 1 29  3  12 o 221.7071 32.84041 12.19960       3.321389  17.44302       4.995830  8.046191       4.446347  262.1408 41.92680 175.1928 50.91681 86.94803       65.95740 
1 1 1 29  3  13 o 191.6073 37.99451 9.355392       3.303575  9.597596       4.919087  9.156403       4.458690  189.5046 53.07104 185.8660 49.93267 3.638657       72.86842 
1 1 1 29  3  14 o 254.1369 30.26801 15.92550       3.547258  15.43658       5.087624  16.38804       4.948433  243.1411 46.17079 252.1415 43.27968 -9.000458      63.28406 
1 1 1 29  3  15 o 235.2131 36.92197 14.02699       3.950691  23.97444       6.881842  9.137204       4.824959  300.7448 50.43018 183.6216 52.94651 117.1232       73.12001 
1 1 1 29  3  16 o 229.6936 33.87837 13.28492       3.550601  13.10069       5.109384  13.45698       4.937636  219.9981 50.44739 224.2112 48.24614 -4.213089      69.80422 
1 1 1 29  3  17 o 360.9268 28.75685 32.04020       4.841846  40.34490       6.157620  18.58799       7.836957  402.6945 32.79109 251.5137 65.56757 151.1808       73.31004 
1 1 1 29  3  18 o 183.5552 42.76238 8.956705       3.623737  12.53360       5.440867  6.105135       4.857997  211.5784 54.37271 153.5674 54.10355 58.01099       76.70453 
1 1 1 29  3  19 o 162.4823 48.46583 7.177588       3.984745  8.919652       4.879270  3.689061       6.904685  178.6731 53.70679 145.9633 60.75808 32.70982       81.09232 
1 1 1 29  3  20 o 122.5039 45.13419 3.467020       3.426154  7.291923       4.872229  -0.2745173     4.818840  162.7199 54.28275 108.2280 47.89935 54.49185       72.39450 
1 1 1 29  3  21 o 299.9936 34.07133 22.89727       4.722782  13.94471       8.237370  27.28114       5.764267  208.9513 70.57881 324.4685 38.51846 -115.5173      80.40547 
1 1 1 29  3  22 o 550.6313 20.38929 73.29970       5.281195  66.25568       7.339815  80.86131       7.604702  514.2395 30.47835 571.2015 28.30242 -56.96198      41.59275 
1 1 1 29  3  23 o 149.1017 49.68401 6.231446       4.082081  5.945304       6.795508  6.392992       5.105968  152.4301 61.48570 151.4410 55.20370 0.9890594      82.63135 
1 1 1 29  3  24 o 343.8114 29.18221 29.92164       4.675048  38.73365       8.446989  26.03046       5.613128  368.1647 50.07330 312.0616 39.09610 56.10306       63.52827 
1 1 1 29  3  25 o 228.8864 49.56005 15.46035       5.181471  16.63496       7.178213  14.18252       7.486948  219.9086 64.91948 199.0955 67.28702 20.81319       93.49910 
1 1 1 29  3  26 o 177.7096 61.87277 11.11772       6.343209  11.11772       6.343209  0.000000       0.000000  177.7096 61.87277 ?        ?        0.000000       61.87277 
1 1 1 29  3  27 o 114.9148 52.15125 1.066587       6.115851  1.066587       6.115851  0.000000       0.000000  114.9148 52.15125 ?        ?        0.000000       52.15125 
1 1 1 29  5  0  o 684.6394 33.44879 112.9310       10.77238  112.9310       10.77238  0.000000       0.000000  684.6394 33.44879 ?        ?        0.000000       33.44879 
1 1 1 29  5  1  o 386.1847 25.37182 35.71174       4.583453  45.89774       8.256853  31.17498       5.510430  432.1923 41.10845 358.4494 33.05280 73.74292       52.74839 
1 1 1 29  5  2  o 502.9795 18.61870 59.94954       4.405233  61.56362       8.758229  59.40289       5.096898  502.8451 37.29224 500.0214 21.66946 2.823700       43.13092 
1 1 1 29  5  3  f 373.1023 23.09502 33.24568       4.033437  30.43995       7.834179  34.25764       4.704926  347.7535 49.26908 377.8238 26.64317 -30.07028      56.01161 
1 1 1 29  5  4  o 507.3912 17.23725 60.95390       4.114151  60.42318       5.815747  61.48555       5.820831  503.4695 24.55631 507.9295 24.36196 -4.460022      34.59071 
1 1 1 29  5  5  o 240.1680 28.32734 13.99680       3.138716  9.055965       4.462677  18.83336       4.415331  187.5752 49.75882 277.2061 34.61476 -89.63092      60.61454 
1 1 1 29  5  6  o 216.4001 36.81890 11.65635       3.613748  11.07177       4.284440  13.09750       6.727081  208.3119 45.03544 222.2265 62.00154 -13.91460      76.63147 
1 1 1 29  5  7  o 401.8233 23.36027 38.62123       4.396469  39.44479       5.260000  36.71225       8.008321  404.7082 27.79814 383.0743 45.31987 21.63394       53.16603 
1 1 1 29  5  8  o 432.8212 19.11622 44.48751       3.892063  41.59841       5.495923  47.39410       5.512530  415.2669 28.30356 444.0312 26.51279 -28.76425      38.78169 
1 1 1 29  5  9  o 105.1931 41.15723 1.774891       2.956207  1.481065       4.111754  2.089287       4.253250  115.4521 47.35609 121.3531 48.75115 -5.900948      67.96524 
1 1 1 29  5  10 o 144.0715 42.62581 5.250834       3.091631  6.682202       4.384382  3.835230       4.360172  162.1344 51.30523 135.8495 50.74638 26.28490       72.16246 
1 1 1 29  5  11 o 210.2494 40.36512 11.25391       3.847039  11.74197       7.396460  11.07291       4.504234  207.8497 66.72998 205.9789 47.46236 1.870819       81.88752 
1 1 1 29  5  12 f 247.9283 35.21212 15.33267       3.991250  18.23722       8.060832  14.38929       4.593914  254.9385 66.51550 236.9498 42.78983 17.98862       79.09033 
1 1 1 29  5  13 o 158.0580 42.33266 6.486389       3.210526  5.025624       4.639099  7.829096       4.447687  146.2717 52.72600 172.0852 51.17513 -25.81352      73.47739 
1 1 1 29  5  14 o 197.9318 39.97556 10.10290       3.593860  10.58561       5.896094  9.817536       4.533344  196.0129 59.06525 191.4035 49.85425 4.609421       77.29263 
1 1 1 29  5  15 o 314.8134 25.20483 24.09287       3.701257  28.20403       5.328643  20.26032       5.144924  336.4056 34.14643 281.6998 39.94493 54.70578       52.55070 
1 1 1 29  5  16 o 343.4394 23.63368 28.58454       3.794889  28.86919       5.453729  28.31734       5.283868  339.5585 34.62822 336.7415 33.81366 2.817017       48.39914 
1 1 1 29  5  17 o 485.5326 20.24996 56.56389       4.625002  52.57807       6.420202  60.86375       6.668334  462.0706 29.69457 498.0775 28.58068 -36.00690      41.21435 
1 1 1 29  5  18 o 281.3829 42.12636 20.63341       5.404473  20.63341       5.404473  0.000000       0.000000  281.3829 42.12636 ?        ?        0.000000       42.12636 
1 1 1 29  5  19 o 526.9539 20.20059 66.75768       5.007327  65.52902       6.913203  68.11366       7.262567  515.8118 28.60379 525.1494 29.51909 -9.337524      41.10418 
1 1 1 29  5  20 o 245.7095 33.34591 15.32905       3.754626  17.58063       5.152054  12.77884       5.483077  256.7338 44.25895 211.6058 54.68854 45.12796       70.35403 
1 1 1 29  5  21 o 69.22757 33.36284 -4.364712      3.235685  -8.154342      4.476541  -0.2187201     4.682291  74.27235 36.53913 106.4460 47.15804 -32.17362      59.65726 
1 1 1 29  5  22 o 238.8926 50.75622 16.16356       5.527786  0.000000       0.000000  16.16356       5.527786  ?        ?        238.8926 50.75622 0.000000       50.75622 
1 1 1 29  5  23 o 91.98395 40.62040 -0.1719285     3.446913  0.7853746      5.625073  -0.7475251     4.361767  117.8832 51.98280 98.95081 44.55365 18.93243       68.46342 
1 1 1 29  5  24 o 185.6109 43.92254 9.716131       3.775207  3.103449       6.232265  13.54896       4.744789  131.7546 56.41320 217.0661 47.76437 -85.31145      73.91810 
1 1 1 29  5  25 o 173.7063 44.12516 8.699834       3.612593  8.142094       6.344499  8.967425       4.394579  159.3746 60.83600 171.4739 50.84027 -12.09930      79.28274 
1 1 1 29  5  26 o 246.4837 61.19120 20.61831       7.062018  20.61831       7.062018  0.000000       0.000000  246.4837 61.19120 ?        ?        0.000000       61.19120 
1 1 1 29  5  27 o 119.5624 51.80743 2.953032       5.378391  2.953032       5.378391  0.000000       0.000000  119.5624 51.80743 ?        ?        0.000000       51.80743 
1 1 1 29  7  0  o 204.5280 33.43672 10.34363       3.105775  3.914983       6.357389  12.35886       3.559435  151.8582 60.06306 223.5100 35.00334 -71.65173      69.51838 
1 1 1 29  7  1  o 490.5615 18.62125 57.07090       4.297062  61.77171       8.781180  55.59081       4.927326  502.8873 37.38778 483.4552 21.66635 19.43210       43.21199 
1 1 1 29  7  2  o 659.6188 17.28555 103.0678       5.363465  106.5696       10.90806  101.9513       6.159479  662.5569 35.12437 655.2531 19.98322 7.303833       40.41102 
1 1 1 29  7  3  o 378.0745 22.31755 34.13919       3.951515  34.78003       8.033302  33.93465       4.538548  372.3027 46.91148 375.9742 25.81841 -3.671478      53.54696 
1 1 1 29  7  4  o 509.9529 20.05201 61.77208       4.810135  60.19621       9.124340  62.37860       5.660608  495.0500 39.51081 511.5042 23.52581 -16.45410      45.98444 
1 1 1 29  7  5  o 253.1668 29.18329 15.58939       3.411809  17.13756       4.194529  12.56243       5.865118  263.9077 34.62335 218.3678 56.62315 45.53989       66.36985 
1 1 1 29  7  6  o 392.6472 22.36132 36.85135       4.113092  34.98177       4.977979  40.87396       7.301875  380.7981 27.98611 407.3936 38.56110 -26.59555      47.64642 
1 1 1 29  7  7  o 372.4236 20.35737 33.08677       3.552876  35.55151       5.030465  30.63365       5.018608  383.7141 28.06431 355.2593 30.32125 28.45477       41.31565 
1 1 1 29  7  8  f 212.0858 30.72201 11.07072       2.975742  10.33553       4.076595  11.90926       4.353733  200.4860 44.39708 215.5240 44.42046 -15.03798      62.80349 
1 1 1 29  7  9  o 192.8572 34.05029 9.294837       2.976113  6.460094       4.121191  12.38431       4.302371  159.2961 49.64525 220.0562 43.10484 -60.76016      65.74707 
1 1 1 29  7  10 o 302.7603 23.85110 22.08277       3.369345  23.24992       4.712456  20.86209       4.819285  307.4342 33.10775 289.8390 36.13196 17.59521       49.00655 
1 1 1 29  7  11 o 414.8341 19.66212 41.01402       3.836842  45.63871       5.746949  37.29493       5.153637  433.7014 28.32493 391.9684 28.13799 41.73306       39.92553 
1 1 1 29  7  12 o 245.3248 34.67819 15.03066       3.890369  19.16766       8.331182  13.87700       4.399498  259.6480 67.56234 232.6289 41.73766 27.01910       79.41475 
1 1 1 29  7  13 o 142.2161 50.53963 4.827888       4.247883  0.000000       0.000000  4.827888       4.247883  ?        ?        142.2161 50.53963 0.000000       50.53963 
1 1 1 29  7  14 o 126.0785 42.46729 3.876653       2.982202  4.295508       4.137771  3.423897       4.301959  136.3712 49.69731 129.9677 49.97937 6.403503       70.48234 
1 1 1 29  7  15 o 176.8707 39.13738 8.131407       3.170045  10.14142       4.548214  6.232483       4.420744  193.5683 49.69566 154.8370 51.70736 38.73123       71.71687 
1 1 1 29  7  16 o 403.8261 21.59102 39.31224       4.086586  34.83299       5.508178  44.79648       6.094864  374.9128 31.52525 426.0411 30.61602 -51.12839      43.94522 
1 1 1 29  7  17 o 202.9269 41.96087 10.84122       3.873203  11.31786       4.592553  9.667064       7.208111  204.1552 48.53384 185.3303 65.83775 18.82491       81.79330 
1 1 1 29  7  18 o 151.1402 44.38269 6.085188       3.362873  5.434647       4.501189  6.907025       5.059211  146.3784 52.02404 160.6240 55.29459 -14.24561      75.92096 
1 1 1 29  7  19 o 110.8709 45.65596 1.686836       3.840528  0.2496370      4.528494  5.368609       7.248095  108.3568 47.24101 156.3287 63.34496 -47.97191      79.02087 
1 1 1 29  7  20 o 116.7327 43.86296 3.007477       3.266920  2.445576       4.464920  3.654914       4.792725  121.1719 49.48400 132.0847 52.17965 -10.91286      71.91232 
1 1 1 29  7  21 o 222.3277 35.30307 12.78985       3.568712  11.47169       4.914465  14.26035       5.190699  200.4946 51.75488 225.2491 50.26395 -24.75446      72.14591 
1 1 1 29  7  22 o 336.4411 27.97116 28.26034       4.386657  29.87515       7.543274  27.43520       5.392171  325.8885 50.86810 325.6193 35.79415 0.2692261      62.19955 
1 1 1 29  7  23 o 176.6383 52.52000 9.261271       4.684829  0.000000       0.000000  9.261271       4.684829  ?        ?        176.6383 52.52000 0.000000       52.52000 
1 1 1 29  7  24 o 338.9232 28.76335 29.15060       4.542447  34.36386       7.908124  26.58360       5.549227  344.4045 50.29603 315.0586 38.22587 29.34595       63.17363 
1 1 1 29  7  25 o 109.3858 46.41455 1.851219       4.151097  2.792212       5.870538  0.9102260      5.870538  125.3171 54.21345 116.2458 52.06556 9.071350       75.16595 
1 1 1 29  7  26 o 106.5037 45.51963 1.766576       4.044594  -3.412604      5.864244  6.465518       5.585752  98.01160 46.60697 143.5636 56.45299 -45.55204      73.20621 
1 1 1 29  9  0  o 468.5950 18.29913 52.12081       4.033642  56.80738       8.647645  50.81761       4.560103  480.3654 38.59569 462.0377 20.98108 18.32773       43.92987 
1 1 1 29  9  1  o 173.1360 38.99191 7.609729       3.099273  10.97503       6.964864  6.778824       3.460798  203.8179 64.68218 162.7342 44.10677 41.08374       78.28915 
1 1 1 29  9  2  o 364.1581 25.13008 31.86649       4.278457  0.000000       0.000000  31.86649       4.278457  ?        ?        364.1581 25.13008 0.000000       25.13008 
1 1 1 29  9  3  o 102.6566 43.86445 0.2281351      3.754119  -2.965518      6.393497  1.908633       4.637817  116.5053 53.04575 123.8683 50.49169 -7.362953      73.23430 
1 1 1 29  9  4  o 265.0411 34.09754 17.30360       4.152553  23.57016       7.592013  14.62855       4.960306  300.1305 55.82940 239.1368 45.76248 60.99373       72.18813 
1 1 1 29  9  5  o 191.3874 49.60720 9.549445       4.502901  4.675982       6.969724  13.04102       5.899397  159.3342 62.93063 221.5595 56.44511 -62.22528      84.53587 
1 1 1 29  9  6  o 342.1414 20.91138 27.98474       3.349405  28.78513       4.730710  27.18024       4.742862  344.3176 29.49236 334.1497 30.51035 10.16788       42.43443 
1 1 1 29  9  7  o 367.6896 19.81178 32.26759       3.414040  33.14991       4.820527  31.37966       4.835872  370.0933 27.89449 359.6782 28.82409 10.41513       40.11147 
1 1 1 29  9  8  o 474.9379 17.79274 53.58720       3.975109  51.29824       5.450007  56.18909       5.810610  461.7376 25.18699 483.1030 25.66096 -21.36545      35.95649 
1 1 1 29  9  9  o 357.1136 20.72739 30.52348       3.466954  36.23421       5.069117  25.50441       4.752236  386.5043 28.07264 322.5186 31.73471 63.98569       42.36938 
1 1 1 29  9  10 o 297.3164 23.60465 21.32521       3.274148  19.75821       4.685202  22.82090       4.577369  281.3961 36.23694 304.3404 32.47476 -22.94434      48.65928 
1 1 1 29  9  11 o 351.5350 22.04824 29.70478       3.627504  30.77308       5.206889  28.69728       5.056545  353.8933 31.61054 341.5562 31.83879 12.33716       44.86575 
1 1 1 29  9  12 o 343.5647 24.82108 28.58031       3.984428  33.05589       6.456821  25.82791       5.063487  362.6950 38.43040 322.5547 33.87768 40.14026       51.23077 
1 1 1 29  9  13 o 228.4099 38.77281 13.33900       4.016967  14.82759       7.815160  12.80452       4.682915  225.8740 67.98763 219.9916 46.69680 5.882477       82.47976 
1 1 1 29  9  14 o 171.2399 47.40448 7.840995       3.948579  9.259810       8.115096  7.400891       4.519684  186.0931 69.28678 166.3084 52.01619 19.78470       86.63914 
1 1 1 29  9  15 o 216.8923 32.46314 11.82325       3.210269  10.14662       4.298761  13.93729       4.827032  194.2021 47.45880 228.9415 46.41026 -34.73940      66.37959 
1 1 1 29  9  16 o 124.2491 44.08290 3.655548       3.230574  10.08292       4.468172  -3.384785      4.676379  192.4875 49.16924 93.21542 43.47134 99.27213       65.63056 
1 1 1 29  9  17 o 167.0169 42.37439 7.417001       3.334460  11.01423       4.508963  3.075298       4.953617  201.2804 48.24916 130.5692 52.55617 70.71129       71.34517 
1 1 1 29  9  18 o 437.1637 21.11919 46.02692       4.343009  45.36386       5.884150  46.82040       6.436885  428.4876 29.37006 433.5829 31.78123 -5.095276      43.27409 
1 1 1 29  9  19 f 216.3666 39.08933 12.24793       3.832067  11.92210       4.596546  12.99049       6.939110  208.4619 47.88256 207.4758 64.38014 0.9860840      80.23430 
1 1 1 29  9  20 o 167.3636 43.00467 7.602504       3.403893  8.441607       4.669036  6.650592       4.972993  172.5060 52.69120 156.0555 54.75858 16.45056       75.99253 
1 1 1 29  9  21 o 108.6571 43.92505 2.007864       3.476373  1.343936       5.762889  2.387670       4.358739  123.1231 53.48877 118.7638 48.74106 4.359276       72.36532 
1 1 1 29  9  22 o 71.59172 34.43801 -4.262151      3.407930  -4.589775      5.834961  -4.092533      4.198431  98.48173 46.73064 82.61692 39.32912 15.86481       61.07809 
1 1 1 29  9  23 o 64.01599 31.47417 -5.971057      3.304585  -5.442925      6.064549  -6.194093      3.941069  97.01991 46.47907 71.93225 35.15842 25.08766       58.27880 
1 1 1 29  9  24 o 89.05369 41.39391 -2.101370      4.184734  -8.620690      5.973282  4.182521       5.864435  86.92934 42.65349 134.1846 55.93649 -47.25526      70.34353 
1 1 1 29  9  25 o 104.0536 44.61338 1.419256       3.907327  10.55886       5.648372  -6.967896      5.410867  176.8855 58.41990 84.64356 41.33391 92.24198       71.56379 
1 1 1 29  11 0  o 134.5745 41.11915 4.532464       2.843120  0.7818074      6.715106  5.351657       3.138286  135.2797 58.25328 145.1661 42.94528 -9.886383      72.37225 
1 1 1 29  11 1  o 450.2963 18.71041 48.21090       3.963246  49.31630       8.815686  47.93089       4.436901  443.7466 42.76233 448.3484 21.03753 -4.601868      47.65705 
1 1 1 29  11 2  o 215.5716 33.24676 11.53830       3.262987  6.602260       6.781992  13.02506       3.722101  169.8346 63.31943 228.4077 35.82052 -58.57304      72.74930 
1 1 1 29  11 3  o 261.0483 35.13016 16.90425       4.204379  13.12426       6.970849  19.06553       5.271040  219.2325 63.76392 274.5632 42.15932 -55.33075      76.44112 
1 1 1 29  11 4  o 306.8225 31.25137 23.03596       4.447543  26.40012       7.757836  21.38894       5.428150  317.5600 53.85773 291.6926 40.66618 25.86740       67.48624 
1 1 1 29  11 5  o 505.6549 21.07229 60.99843       5.012279  46.07610       8.993450  67.72186       6.036750  426.6697 45.51134 531.6240 24.13956 -104.9543      51.51699 
1 1 1 29  11 6  o 161.1653 43.56929 6.713848       3.382099  2.972652       6.630916  8.029354       3.932011  145.7660 60.00444 175.3793 46.79406 -29.61339      76.09348 
1 1 1 29  11 7  o 526.4423 17.44472 65.86364       4.320004  72.61495       6.415363  60.26245       5.843428  549.8754 24.80205 500.9288 24.79833 48.94659       35.07277 
1 1 1 29  11 8  o 403.7233 19.34698 38.84732       3.674230  37.29640       5.249027  40.33728       5.144832  391.5495 28.69847 408.0568 26.95471 -16.50726      39.37205 
1 1 1 29  11 9  o 77.38681 35.75946 -2.184510      3.054946  4.179549       4.948636  -6.103265      3.883224  141.1772 53.76704 73.75162 35.78809 67.42563       64.58855 
1 1 1 29  11 10 o 235.5626 33.07407 13.83497       3.563922  12.05450       4.401743  17.22355       6.072484  214.6839 45.02473 253.6085 52.62586 -38.92451      69.25826 
1 1 1 29  11 11 o 155.9489 42.14978 6.346087       3.165720  2.342450       4.973900  9.072267       4.104373  127.5375 52.17252 184.7681 47.08590 -57.23058      70.27840 
1 1 1 29  11 12 o 189.4111 34.60198 9.105922       2.969408  4.584850       4.025945  14.49962       4.397345  138.3698 49.19856 237.2598 40.87549 -98.88995      63.96330 
1 1 1 29  11 13 o 287.1446 25.02022 20.07279       3.345795  20.70293       4.617020  19.37593       4.855306  287.2157 34.88951 275.9323 38.45124 11.28339       51.92086 
1 1 1 29  11 14 f 432.1048 24.50282 45.27079       4.960020  41.97384       9.382408  46.54957       5.843296  396.6642 51.49818 435.8074 28.66315 -39.14319      58.93758 
1 1 1 29  11 15 o 217.0757 33.29890 11.89397       3.291709  7.040171       4.465404  17.67053       4.871407  162.0765 51.82938 261.3951 40.96339 -99.31862      66.06273 
1 1 1 29  11 16 o 81.34999 36.81256 -1.260588      3.021343  -2.253429      3.972792  0.1013614      4.653034  89.31542 41.09445 109.4665 47.80103 -20.15111      63.03723 
1 1 1 29  11 17 o 90.51857 39.12797 0.9410667E-01  3.053103  -1.731033      4.051938  2.491387       4.643806  92.64931 42.20143 123.9260 50.52077 -31.27670      65.82787 
1 1 1 29  11 18 o 177.0704 39.41036 8.277743       3.198147  7.546247       4.391778  9.103594       4.666432  165.3829 51.20112 180.3273 52.09058 -14.94441      73.04096 
1 1 1 29  11 19 f 108.3452 42.39468 2.237187       3.136879  3.441384       4.320222  0.8943852      4.562086  127.4016 49.77980 111.8055 48.07918 15.59618       69.20719 
1 1 1 29  11 20 o 131.2111 49.83953 4.066811       4.244990  4.753270       5.530720  3.082640       6.622309  142.4136 56.11889 138.0707 58.60734 4.342941       81.14277 
1 1 1 29  11 21 o 138.1761 45.36899 5.175213       3.408426  12.93401       5.779089  1.036798       4.220650  207.0199 57.36362 108.0630 46.35099 98.95690       73.74957 
1 1 1 29  11 22 o 92.06087 40.67562 -0.1357183     3.460719  -6.150417      5.716310  3.344321       4.348114  92.07124 44.36515 123.8492 49.45467 -31.77797      66.43818 
1 1 1 29  11 23 o 89.41894 41.30533 -1.815026      4.070884  0.2926576      5.892448  -3.739596      5.630670  115.3863 51.88507 97.70626 46.22865 17.68005       69.49207 
1 1 1 29  11 24 o 74.04006 37.00437 -11.65874      5.340238  0.000000       0.000000  -11.65874      5.340238  ?        ?        74.04006 37.00437 0.000000       37.00437 
1 1 1 29  11 25 o 97.08542 42.94220 0.4666628      3.867394  2.241082       5.631497  -1.117123      5.320395  118.9658 52.25102 101.8679 47.11378 17.09789       70.35536 
1 1 1 29  13 0  o 68.06358 31.40615 -1.700239      2.343907  -0.6584424     6.084183  -1.881803      2.539956  121.7497 53.85590 70.51434 32.59171 51.23537       62.94980 
1 1 1 29  13 1  f 232.0406 31.68242 13.33380       3.367837  14.12307       6.692875  13.06618       3.897187  226.0358 61.36781 227.3625 37.76361 -1.326706      72.05621 
1 1 1 29  13 2  o 123.3211 46.17105 3.136563       3.613393  -6.117718      6.433577  7.400989       4.367284  104.4675 49.42373 168.0765 50.87622 -63.60899      70.93021 
1 1 1 29  13 3  o 100.0966 43.82992 -0.3947314     3.936030  7.107610       6.945611  -3.943790      4.777147  172.2625 64.10744 93.41137 43.68683 78.85108       77.57773 
1 1 1 29  13 4  o 397.4159 26.03536 38.21028       4.840287  49.49465       8.786917  33.29456       5.799507  442.6660 42.72892 367.2746 33.95266 75.39139       54.57604 
1 1 1 29  13 5  o 459.5141 24.92723 50.93809       5.368023  53.89418       9.300523  49.46140       6.573457  461.3652 43.36299 449.5792 31.27744 11.78601       53.46613 
1 1 1 29  13 6  o 351.3207 23.93945 29.78420       3.932702  27.82402       8.176634  30.37411       4.485607  322.3445 55.95377 353.5199 27.18181 -31.17535      62.20671 
1 1 1 29  13 7  o 439.8261 22.12870 46.47050       4.563694  48.60286       9.178238  45.77015       5.260022  435.7157 45.44922 434.8500 25.83053 0.8657227      52.27665 
1 1 1 29  13 8  o 157.1902 38.77035 6.387213       2.848896  5.540350       4.153641  7.139504       3.914850  148.4927 50.11829 164.5596 47.76252 -16.06682      69.23222 
1 1 1 29  13 9  o 427.6777 18.93258 43.65467       3.808867  48.16489       5.729139  40.08220       5.098883  444.8818 27.51135 406.0295 26.84766 38.85233       38.44049 
1 1 1 29  13 10 o 104.5421 41.54313 1.724883       3.054562  0.6507135      4.823564  2.444034       3.946767  115.3703 49.52000 119.2843 47.27869 -3.913956      68.46535 
1 1 1 29  13 11 o 194.5244 34.03024 9.580920       3.000515  10.55219       4.227504  8.594937       4.259413  199.3058 46.02177 178.7887 49.12994 20.51707       67.31831 
1 1 1 29  13 12 o 389.9347 20.63365 36.54365       3.771282  31.68143       5.232471  41.79997       5.440399  357.9634 31.39114 413.3988 28.14393 -55.43533      42.16022 
1 1 1 29  13 13 o 241.5496 29.03370 14.43502       3.232879  10.56645       4.477100  18.64983       4.673161  197.9063 48.47549 270.7594 37.71497 -72.85313      61.41899 
1 1 1 29  13 14 o 239.6729 29.46160 14.25252       3.251638  17.49278       4.651407  11.15558       4.547378  261.1194 39.06889 203.1960 48.28706 57.92343       62.11294 
1 1 1 29  13 15 o 332.9078 37.65653 28.17988       5.793345  31.42093       8.925630  25.82045       7.615510  335.1519 58.75664 306.3478 54.86102 28.80411       80.38702 
1 1 1 29  13 16 o 446.8321 22.12599 48.16713       4.650678  37.90131       7.066681  56.01044       6.176867  384.3410 39.65659 477.8300 27.59804 -93.48901      48.31456 
1 1 1 29  13 17 o 193.8458 68.67391 11.24851       7.837348  11.24851       7.837348  0.000000       0.000000  193.8458 68.67391 ?        ?        0.000000       68.67391 
1 1 1 29  13 18 o 124.2122 43.46216 3.819682       3.131773  8.024978       4.411450  -0.4531868     4.446752  169.3728 51.10242 103.0981 45.80195 66.27476       68.62417 
1 1 1 29  13 19 o 367.4689 25.31015 33.21361       4.348385  32.66945       6.718495  33.60588       5.704310  352.0941 41.35158 363.6111 33.73428 -11.51709      53.36623 
1 1 1 29  13 20 o 281.3908 28.28828 19.83861       3.693702  18.16290       5.625799  21.10830       4.897059  254.7689 48.71827 284.0053 37.57842 -29.23637      61.52729 
1 1 1 29  13 21 o 108.2132 45.04018 1.731855       3.793834  1.732461       4.932014  1.730975       5.937359  117.3775 50.21902 124.3764 54.16263 -6.998863      73.86163 
1 1 1 29  13 22 o 77.53431 36.79109 -3.315144      3.616863  0.5897741      5.194927  -6.988705      5.038683  111.9533 49.63157 82.26106 40.10781 29.69228       63.81167 
1 1 1 29  13 23 o 150.7247 48.93805 6.770424       3.969907  6.212842       5.530204  7.363259       5.702344  145.5367 56.47146 153.8529 57.92303 -8.316238      80.89563 
1 1 1 29  13 24 o 105.6390 45.01026 1.681769       3.932454  9.901903       5.884314  -4.952438      5.286289  169.4932 59.55989 88.76283 42.74482 80.73038       73.31098 
1 1 1 29  15 0  o 401.0995 18.80648 38.40181       3.548370  37.54459       7.883440  38.61960       3.973645  381.8660 44.73463 400.9375 21.14372 -19.07153      49.47974 
1 1 1 29  15 1  o 223.5305 28.46098 12.31932       2.924767  16.84899       6.720989  11.26114       3.248482  246.4160 58.80119 211.6183 33.76816 34.79765       67.80759 
1 1 1 29  15 2  o 379.3951 19.63722 34.47907       3.492617  29.81570       7.721251  35.67870       3.916164  336.4159 50.33828 385.1909 21.70144 -48.77499      54.81693 
1 1 1 29  15 3  o 348.7267 25.77875 29.52856       4.198821  31.27230       7.871361  28.83504       4.964060  344.9449 49.96487 342.1325 31.18681 2.812439       58.89911 
1 1 1 29  15 4  f 289.6463 30.94441 20.71145       4.150933  17.72592       7.384787  22.09039       5.018816  250.5043 62.79064 296.4500 36.77996 -45.94572      72.76971 
1 1 1 29  15 5  o 148.7309 46.85559 5.713344       3.659990  2.544590       6.524178  7.168540       4.421221  140.4897 58.81865 164.6408 51.43861 -24.15115      78.13811 
1 1 1 29  15 6  o 133.8775 48.82802 4.099529       3.995446  -1.683710      7.158436  6.716373       4.815279  125.8869 56.84249 160.8455 53.96415 -34.95860      78.37856 
1 1 1 29  15 7  o 113.6939 46.35381 1.769004       3.909816  7.511891       7.310056  -0.5321481     4.627306  173.8181 65.55182 106.6637 47.08570 67.15443       80.71000 
1 1 1 29  15 8  o 340.1657 23.86615 28.01130       3.794755  31.92628       8.247874  26.96004       4.273985  346.0462 52.30016 332.1058 27.60843 13.94037       59.13993 
1 1 1 29  15 9  o 372.2469 22.21201 33.40699       3.871729  33.91796       6.160854  33.07347       4.977425  367.9370 36.05920 367.2312 29.05064 0.7057190      46.30557 
1 1 1 29  15 10 o 347.9597 21.38468 29.15980       3.483312  25.65883       4.857145  32.86702       4.998175  321.3662 32.58041 365.8511 29.28831 -44.48486      43.80968 
1 1 1 29  15 11 o 286.4075 31.32717 20.35763       4.151786  32.10464       8.588551  16.77543       4.742761  344.0559 54.91294 255.0671 40.91110 88.98880       68.47736 
1 1 1 29  15 12 o 63.40649 30.50066 -3.711134      2.673223  -6.666466      3.816424  -0.8644913     3.745587  70.60019 34.52647 93.92658 41.86268 -23.32639      54.26381 
1 1 1 29  15 13 o 249.2266 28.40705 15.34921       3.270846  18.37335       4.713799  12.54109       4.542314  267.9286 38.50759 216.8306 45.96082 51.09792       59.96025 
1 1 1 29  15 14 o 192.4675 40.82736 9.734373       3.581842  11.32458       4.323460  6.254460       6.395706  205.4371 45.89582 159.8907 61.06954 45.54639       76.39316 
1 1 1 29  15 15 o 173.7114 37.36364 7.867676       2.962488  10.26771       4.070981  5.166035       4.319211  195.2847 45.20871 143.1947 50.95419 52.09000       68.11869 
1 1 1 29  15 16 o 148.1684 48.22219 5.857533       3.853763  -5.523187      7.507973  9.928538       4.490437  113.0775 53.46481 189.1546 49.78729 -76.07711      73.05655 
1 1 1 29  15 17 o 236.3239 30.57086 14.06263       3.318819  17.75697       4.684674  10.34025       4.702414  260.7091 39.43074 191.4785 51.21124 69.23061       64.63261 
1 1 1 29  15 18 o 243.4881 32.49291 15.10445       3.628779  16.64091       5.605256  13.99588       4.761178  243.4698 50.59396 225.7094 46.39359 17.76045       68.64484 
1 1 1 29  15 19 o 91.80348 40.04140 0.9813657E-01  3.256506  4.351962       5.012925  -3.007709      4.283426  136.1746 53.50153 88.14974 41.27105 48.02485       67.57006 
1 1 1 29  15 20 f 190.6104 39.48989 9.835073       3.424383  12.94590       5.551433  7.924389       4.350724  206.7959 55.78438 164.8300 50.94991 41.96596       75.54992 
1 1 1 29  15 21 o 253.7001 37.48911 17.18686       4.339228  13.57610       5.892250  21.46552       6.414099  207.4860 58.07586 269.7632 52.43439 -62.27721      78.24431 
1 1 1 29  15 22 o 115.0252 49.43725 1.906064       4.818841  1.906064       4.818841  0.000000       0.000000  115.0252 49.43725 ?        ?        0.000000       49.43725 
1 1 1 29  17 0  o 126.4561 35.52463 4.101062       2.200512  6.239596       6.165634  3.788899       2.355648  160.0888 60.23802 122.2737 37.43977 37.81516       70.92500 
1 1 1 29  17 1  o 156.7795 32.70826 6.263340       2.334180  3.861475       6.266628  6.650254       2.515169  145.2877 58.89006 161.1637 34.23339 -15.87601      68.11728 
1 1 1 29  17 2  o 100.3016 37.47305 2.031015       2.377733  2.712842       5.886146  1.898059       2.599242  136.0564 56.32114 101.1265 38.85843 34.92995       68.42550 
1 1 1 29  17 3  o 372.3631 29.00968 34.01813       5.041249  33.56124       7.506043  34.39358       6.804307  359.5013 45.39759 367.7895 39.97281 -8.288208      60.48774 
1 1 1 29  17 4  o 196.3887 38.75514 9.954640       3.453130  -0.6242569     6.294574  14.50897       4.130081  122.3186 54.40998 238.3945 38.11309 -116.0759      66.43082 
1 1 1 29  17 5  o 206.2772 39.10146 10.97140       3.655280  18.34423       7.374931  8.570415       4.208580  253.9760 62.22026 178.5352 48.74338 75.44080       79.03972 
1 1 1 29  17 6  o 148.3629 48.06749 5.691185       3.831209  4.991083       7.478070  5.940346       4.461165  158.8311 64.34795 152.3616 51.93793 6.469452       82.69346 
1 1 1 29  17 7  o 73.71448 35.62398 -5.442873      3.752166  -13.22236      7.060890  -2.381574      4.429319  92.02589 45.39155 94.93501 43.57314 -2.909111      62.92067 
1 1 1 29  17 8  o 278.4013 40.88232 19.91378       5.194496  0.000000       0.000000  19.91378       5.194496  ?        ?        278.4013 40.88232 0.000000       40.88232 
1 1 1 29  17 9  o 158.2106 42.74916 6.599206       3.256932  7.577289       7.188896  6.346601       3.653379  172.6949 65.03246 154.9760 46.44783 17.71889       79.91634 
1 1 1 29  17 10 f 316.7438 26.65569 24.53476       3.934695  32.19382       8.355155  22.35212       4.460243  345.4311 53.12054 299.6528 32.14455 45.77832       62.08916 
1 1 1 29  17 11 o 374.6313 19.87202 33.72715       3.489472  34.69261       4.901693  32.73512       4.968707  376.1474 27.90135 364.6156 29.21472 11.53183       40.39783 
1 1 1 29  17 12 o 215.7018 29.05888 11.57994       2.873475  9.030104       3.975371  14.36972       4.158206  183.0762 46.16916 236.0561 38.79551 -52.97986      60.30492 
1 1 1 29  17 13 o 77.24774 35.60664 -1.906733      3.001122  0.8318822      3.646652  -7.654579      5.283010  103.0476 43.60156 85.78526 41.65398 17.26237       60.30050 
1 1 1 29  17 14 o 80.19297 35.62075 -0.6092633     2.688560  -1.872136      3.529892  1.135550       4.149122  84.95819 38.95872 110.0772 46.53851 -25.11897      60.69279 
1 1 1 29  17 15 o 472.3102 18.69974 53.53518       4.154627  52.70889       5.695581  54.47482       6.073689  463.5574 26.22706 470.2663 27.57673 -6.708862      38.05700 
1 1 1 29  17 16 o 144.2088 41.78027 5.580270       2.998019  8.920974       4.099779  1.740583       4.395309  179.1438 47.77409 115.4111 48.29483 63.73261       67.93198 
1 1 1 29  17 17 o 319.6965 34.82883 26.21348       5.153020  0.000000       0.000000  26.21348       5.153020  ?        ?        319.6965 34.82883 0.000000       34.82883 
1 1 1 29  17 18 o 241.8871 31.77731 14.95967       3.528260  14.11415       5.465550  15.56376       4.619821  219.6950 53.40628 239.6726 42.53454 -19.97758      68.27457 
1 1 1 29  17 19 o 565.9747 20.16448 77.76794       5.368505  83.08562       8.928586  74.75687       6.718654  568.8488 33.51503 549.2570 26.00383 19.59180       42.42000 
1 1 1 29  17 20 o 188.7198 38.48100 9.690166       3.300308  5.930440       5.129142  12.34655       4.311342  145.0314 54.85767 208.5573 45.24693 -63.52580      71.11012 
1 1 1 29  17 21 o 114.8531 44.75298 3.095448       3.484394  -0.6123663     4.785262  7.280025       5.083614  101.5319 46.09807 153.7352 55.21820 -52.20338      71.93109 
1 1 1 29  19 0  o 375.8786 16.26735 33.65961       2.876297  45.89774       8.023460  31.85495       3.081080  423.4096 40.78852 365.1612 17.93697 58.24841       44.55826 
1 1 1 29  19 1  o 250.9826 21.29338 15.23902       2.490238  16.69144       6.816305  15.01531       2.675156  242.0045 60.14011 248.4975 23.15184 -6.493027      64.44254 
1 1 1 29  19 2  o 93.77367 36.15016 1.584114       2.254838  6.331748       6.490903  0.9325630      2.404589  161.6788 61.57732 88.95767 36.31977 72.72116       71.49051 
1 1 1 29  19 3  o 138.1482 39.76528 4.954550       2.723746  2.582640       6.120124  5.540381       3.041569  136.5644 57.05384 145.4909 42.06269 -8.926559      70.88307 
1 1 1 29  19 4  o 160.2867 38.06473 6.684592       2.827335  8.424496       6.738920  6.312899       3.114728  177.0679 63.57814 154.8845 41.78665 22.18344       76.08090 
1 1 1 29  19 5  o 270.0077 28.34848 17.96197       3.546862  21.03151       7.381640  17.04054       4.044331  273.8409 59.04194 260.4814 33.80358 13.35947       68.03405 
1 1 1 29  19 6  o 235.7059 34.58086 14.03871       3.720193  23.22236       7.855324  11.38339       4.223910  287.2236 60.07156 207.2170 44.65030 80.00658       74.84812 
1 1 1 29  19 7  o 167.9904 49.77863 7.620522       4.213868  0.000000       0.000000  7.620522       4.213868  ?        ?        167.9904 49.77863 0.000000       49.77863 
1 1 1 29  19 8  o 111.4455 45.02656 1.893248       3.650659  -1.934007      6.782622  3.454210       4.331618  120.3936 54.74651 129.4741 50.05092 -9.080513      74.17732 
1 1 1 29  19 9  f 129.3273 48.81350 3.676831       4.055652  3.067777       7.300256  3.948721       4.877610  146.1577 61.75846 136.5951 53.02576 9.562592       81.39925 
1 1 1 29  19 10 o 300.9764 32.27847 22.64935       4.498652  20.21998       8.289102  23.66366       5.356083  259.9674 67.26810 304.1825 38.27985 -44.21515      77.39731 
1 1 1 29  19 11 o 90.83430 39.07816 0.2085884      3.016212  9.227112       6.977646  -1.863812      3.344861  180.9122 64.72237 82.54293 37.87795 98.36932       74.99149 
1 1 1 29  19 12 o 58.48842 28.71386 -5.147186      2.718505  -6.231949      3.229537  -2.509810      5.035692  63.09017 31.03745 100.2314 46.17225 -37.14119      55.63452 
1 1 1 29  19 13 o 72.71236 33.59357 -1.798527      2.694343  -0.6562948     3.572584  -3.305105      4.102995  92.00240 40.95364 85.70839 40.21220 6.294014       57.39531 
1 1 1 29  19 14 o 269.3772 25.39668 17.87871       3.180171  11.58489       4.187344  26.45680       4.888512  206.7412 44.38363 323.7277 32.54246 -116.9865      55.03561 
1 1 1 29  19 15 o 334.0776 22.29581 27.21147       3.483681  25.90147       4.709329  28.79469       5.177176  320.2531 31.67580 336.7555 33.11007 -16.50238      45.82175 
1 1 1 29  19 16 o 140.0908 42.59149 5.325029       3.055848  3.177765       4.664761  6.939257       4.044539  126.0616 50.90964 156.9487 49.22527 -30.88705      70.81609 
1 1 1 29  19 17 o 208.3038 32.97018 11.24200       3.123078  10.50535       5.027051  11.70503       3.985505  187.7836 54.01420 206.7707 42.39883 -18.98708      68.66727 
1 1 1 29  19 18 o 205.1286 44.93710 11.83755       4.216190  0.000000       0.000000  11.83755       4.216190  ?        ?        205.1286 44.93710 0.000000       44.93710 
1 1 1 29  19 19 o 145.6749 43.28435 6.014352       3.182843  1.479192       5.030326  9.042186       4.110227  114.9364 49.95293 175.1513 48.31608 -60.21494      69.49632 
1 1 1 29  21 0  f 96.69572 35.82248 1.949867       2.163875  -1.994947      6.131968  2.510978       2.312655  113.5543 51.79778 104.8708 37.28835 8.683464       63.82344 
1 1 1 29  21 1  o 53.77470 25.89017 -2.777383      1.936694  -0.2518431     5.746044  -3.101058      2.057058  117.8006 52.21211 54.64473 26.40035 63.15592       58.50712 
1 1 1 29  21 2  o 267.1966 19.51680 17.20771       2.436094  25.40726       7.259462  16.16718       2.586050  305.0621 52.48042 258.2904 21.47910 46.77164       56.70579 
1 1 1 29  21 3  o 54.62828 26.53929 -3.524675      2.152130  -6.997622      6.139453  -3.038137      2.297941  96.88680 46.50771 59.57124 28.55765 37.31556       54.57569 
1 1 1 29  21 4  o 100.7321 38.38343 1.977612       2.522795  11.73008       6.762366  0.4008466      2.719098  200.3493 63.75127 88.38052 37.53666 111.9688       73.98125 
1 1 1 29  21 5  o 195.9828 31.98516 9.713850       2.847007  18.13318       7.066489  8.082420       3.110636  250.8326 60.57338 175.7556 38.67403 75.07698       71.86665 
1 1 1 29  21 6  o 103.5483 42.13380 1.504061       3.222267  0.000000       0.000000  1.504061       3.222267  ?        ?        103.5483 42.13380 0.000000       42.13380 
1 1 1 29  21 7  f 412.2130 22.43690 41.14149       4.334264  40.30916       8.937406  41.39743       4.956064  386.9604 50.28795 411.6642 25.72210 -24.70386      56.48455 
1 1 1 29  21 8  o 212.0761 69.00912 13.76041       7.892441  13.76041       7.892441  0.000000       0.000000  212.0761 69.00912 ?        ?        0.000000       69.00912 
1 1 1 29  21 9  o 172.4544 43.34820 7.999047       3.512572  5.603449       6.837901  8.857803       4.094026  155.9260 62.09512 179.7264 47.65099 -23.80038      78.27145 
1 1 1 29  21 10 o 132.9035 45.12981 4.518536       3.368134  8.804995       6.513043  2.953729       3.935184  175.8920 62.57249 121.2877 47.47691 54.60432       78.54536 
1 1 1 29  21 11 o 147.8548 49.33380 5.864594       4.024252  12.80321       6.688602  1.927765       5.038163  205.7990 63.10001 122.2038 51.45303 83.59518       81.41882 
1 1 1 29  21 12 o 167.0868 37.06672 7.364647       2.837145  9.985138       6.397030  6.722978       3.165504  183.0503 62.19518 157.6812 41.94533 25.36909       75.01768 
1 1 1 29  21 13 o 109.4272 42.89457 2.345068       3.215655  2.968787       5.981492  2.091528       3.813634  133.5918 56.14586 112.3983 45.79768 21.19347       72.45540 
1 1 1 29  21 14 o 132.5604 39.86493 4.702733       2.687833  3.989842       3.729024  5.473590       3.877670  127.3476 47.05608 142.0676 48.42240 -14.71992      67.52039 
1 1 1 29  21 15 o 323.9656 24.32847 25.90511       3.680443  35.70155       6.292311  20.81061       4.537609  370.1651 36.61661 283.3513 34.77317 86.81384       50.49703 
1 1 1 29  21 16 o 317.5064 24.46367 24.97626       3.625638  27.75565       6.012147  23.38780       4.545105  321.2597 40.69608 301.4306 32.57221 19.82910       52.12600 
1 1 1 29  23 0  o 282.1130 19.61467 19.23863       2.586809  24.09632       6.502667  18.32538       2.819506  297.7666 48.06103 274.3373 22.03426 23.42932       52.87127 
1 1 1 29  23 1  o 284.1432 19.37119 19.49607       2.573740  18.03805       6.608093  19.75680       2.794405  249.9108 57.41771 285.4189 20.95971 -35.50807      61.12367 
1 1 1 29  23 2  o 136.2168 34.10813 4.833260       2.180649  4.120095       6.397431  4.927014       2.319561  144.2552 59.10844 137.1748 35.62803 7.080383       69.01568 
1 1 1 29  23 3  o 137.7711 37.69275 4.998172       2.513552  1.723841       6.491930  5.575583       2.726184  132.0440 57.06714 145.0249 39.07966 -12.98099      69.16558 
1 1 1 29  23 4  o 219.0428 26.28020 11.88662       2.653805  19.14685       7.494753  10.84585       2.837651  252.9562 63.17428 207.5727 29.92627 45.38350       69.90401 
1 1 1 29  23 5  o 152.7697 40.25798 6.227683       2.933747  0.000000       0.000000  6.227683       2.933747  ?        ?        152.7697 40.25798 0.000000       40.25798 
1 1 1 29  23 6  o 237.1951 23.98107 13.81172       2.638981  22.66944       7.262652  12.46431       2.832596  281.4842 56.80783 223.7546 27.49006 57.72955       63.10969 
1 1 1 29  23 7  o 349.9839 20.96136 29.67875       3.435050  0.000000       0.000000  29.67875       3.435050  ?        ?        349.9839 20.96136 0.000000       20.96136 
1 1 1 29  23 8  o 357.2217 22.68773 31.09162       3.792624  25.23781       7.617443  33.02101       4.373200  296.5286 56.67625 366.5139 25.52459 -69.98535      62.15868 
1 1 1 29  23 9  o 220.4820 28.04102 12.17264       2.842482  10.22592       6.353477  12.65980       3.178305  184.4405 61.98642 223.4190 31.08381 -38.97849      69.34349 
1 1 1 29  23 10 o 116.4673 42.70335 3.192781       3.061773  -7.357313      5.493871  7.945788       3.687521  87.65759 42.54330 169.3760 45.37046 -81.71838      62.19656 
1 1 1 29  23 11 o 230.1885 32.53693 13.58007       3.424950  20.61831       6.754879  11.14452       3.973599  265.7153 55.81727 202.0814 43.11556 63.63396       70.53027 
1 1 1 29  23 12 o 213.9229 35.53943 11.97821       3.450831  10.59156       6.504018  12.52149       4.071096  184.0562 62.71225 214.8594 41.78433 -30.80318      75.35753 
1 1 1 29  23 13 o 168.3818 42.75515 7.870306       3.392724  10.15161       6.591962  7.048254       3.957061  179.1857 63.03513 157.0146 48.59951 22.17102       79.59485 
1 1 1 29  25 0  o 139.9305 36.34811 5.216228       2.414081  7.390013       5.519233  4.701969       2.684490  160.5821 57.55043 132.4958 39.83893 28.08636       69.99423 
1 1 1 29  25 1  o 156.5482 34.02831 6.429520       2.434341  1.400119       5.639380  7.581306       2.698729  122.1238 52.98339 169.8986 34.93436 -47.77482      63.46376 
1 1 1 29  25 2  o 139.8420 36.96474 5.212209       2.468476  0.5374554      5.834818  6.231288       2.724281  119.4151 52.78604 152.4919 38.09018 -33.07677      65.09399 
1 1 1 29  25 3  o 125.1296 39.77209 4.112928       2.632513  6.132581       5.680112  3.560441       2.970840  151.8394 57.65750 119.6782 42.29373 32.16118       71.50627 
1 1 1 29  25 4  o 183.1858 37.66352 8.907746       3.137092  0.000000       0.000000  8.907746       3.137092  ?        ?        183.1858 37.66352 0.000000       37.66352 
1 1 1 29  25 5  o 187.6833 28.53312 8.915210       2.439751  5.743164       5.607913  9.655759       2.709619  148.6740 57.08945 194.4670 30.63422 -45.79295      64.78935 
1 1 1 29  25 6  f 175.7653 29.98101 7.899363       2.389909  1.324019       5.777870  9.256546       2.624991  122.6023 53.40900 190.4032 30.32503 -67.80090      61.41766 
1 1 1 29  25 7  o 211.1373 26.90955 11.17716       2.611881  11.82818       6.122144  11.03230       2.887885  195.6574 60.43195 208.0290 30.40920 -12.37161      67.65161 
1 1 1 29  25 8  o 218.1357 26.52859 11.91474       2.666096  7.595126       6.209836  12.89090       2.952011  161.9206 60.54610 226.0450 28.38836 -64.12434      66.87099 
1 1 1 30  0  0  o 75.98693 50.76347 -1.585001      4.983795  -1.585001      4.983795  -1.585001      4.983795  75.98693 50.76347 75.98693 50.76347 0.000000       0.000000 
1 1 1 30  0  1  o 182.8947 71.60780 11.05826       5.894630  11.05826       5.894630  11.05826       5.894630  182.8947 71.60780 182.8947 71.60780 0.000000       0.000000 
1 1 1 30  0  2  o 165.6821 57.88102 8.577527       4.082214  8.577527       4.082214  8.577527       4.082214  165.6821 57.88102 165.6821 57.88102 0.000000       0.000000 
1 1 1 30  0  3  o 676.0085 22.64181 108.2584       7.181696  108.2584       7.181696  108.2584       7.181696  676.0085 22.64181 676.0085 22.64181 0.000000       0.000000 
1 1 1 30  0  4  o 56.08144 39.09562 -3.464406      3.728884  -3.464406      3.728884  -3.464406      3.728884  56.08144 39.09562 56.08144 39.09562 0.000000       0.000000 
1 1 1 30  0  5  f 82.37139 51.49826 1.027097       4.097296  1.027097       4.097296  1.027097       4.097296  82.37139 51.49826 82.37139 51.49826 0.000000       0.000000 
1 1 1 30  0  6  o 105.8124 65.26084 2.310642       6.359404  2.310642       6.359404  2.310642       6.359404  105.8124 65.26084 105.8124 65.26084 0.000000       0.000000 
1 1 1 30  0  7  f 515.8607 37.91420 64.41737       9.086102  64.41737       9.086102  64.41737       9.086102  515.8607 37.91420 515.8607 37.91420 0.000000       0.000000 
1 1 1 30  0  8  o 295.0542 37.94906 21.73964       5.027848  21.73964       5.027848  21.73964       5.027848  295.0542 37.94906 295.0542 37.94906 0.000000       0.000000 
1 1 1 30  0  9  o 118.0168 61.01822 4.994135       4.359081  4.994135       4.359081  4.994135       4.359081  118.0168 61.01822 118.0168 61.01822 0.000000       0.000000 
1 1 1 30  0  10 o 74.01951 48.60601 -0.5330507     4.259401  -0.5330507     4.259401  -0.5330507     4.259401  74.01951 48.60601 74.01951 48.60601 0.000000       0.000000 
1 1 1 30  0  11 o 522.4308 26.94188 65.29314       6.580838  65.29314       6.580838  65.29314       6.580838  522.4308 26.94188 522.4308 26.94188 0.000000       0.000000 
1 1 1 30  0  12 o 199.4393 57.63562 11.74391       4.691079  11.74391       4.691079  11.74391       4.691079  199.4393 57.63562 199.4393 57.63562 0.000000       0.000000 
1 1 1 30  0  13 o 359.5069 33.24003 31.66619       5.510847  31.66619       5.510847  31.66619       5.510847  359.5069 33.24003 359.5069 33.24003 0.000000       0.000000 
1 1 1 30  0  14 o 66.69785 45.60126 -2.542938      4.503851  -2.542938      4.503851  -2.542938      4.503851  66.69785 45.60126 66.69785 45.60126 0.000000       0.000000 
1 1 1 30  0  15 o 100.5617 62.64736 2.132581       6.009734  2.132581       6.009734  2.132581       6.009734  100.5617 62.64736 100.5617 62.64736 0.000000       0.000000 
1 1 1 30  0  16 o 163.2686 66.53735 9.277738       5.022287  9.277738       5.022287  9.277738       5.022287  163.2686 66.53735 163.2686 66.53735 0.000000       0.000000 
1 1 1 30  0  18 o 196.0857 65.64963 12.33324       5.402454  12.33324       5.402454  12.33324       5.402454  196.0857 65.64963 196.0857 65.64963 0.000000       0.000000 
1 1 1 30  0  19 o 113.8814 69.34282 3.909037       6.975996  3.909037       6.975996  3.909037       6.975996  113.8814 69.34282 113.8814 69.34282 0.000000       0.000000 
1 1 1 30  0  20 o 143.7182 66.23888 7.754629       4.921694  7.754629       4.921694  7.754629       4.921694  143.7182 66.23888 143.7182 66.23888 0.000000       0.000000 
1 1 1 30  0  21 o 190.2926 64.75705 11.85573       5.197274  11.85573       5.197274  11.85573       5.197274  190.2926 64.75705 190.2926 64.75705 0.000000       0.000000 
1 1 1 30  0  22 o 199.1701 61.60077 12.52195       5.052089  12.52195       5.052089  12.52195       5.052089  199.1701 61.60077 199.1701 61.60077 0.000000       0.000000 
1 1 1 30  0  23 o 96.54787 62.01247 1.676576       6.420922  1.676576       6.420922  1.676576       6.420922  96.54787 62.01247 96.54787 62.01247 0.000000       0.000000 
1 1 1 30  0  24 o 150.2578 75.77744 9.699763       6.625908  9.699763       6.625908  9.699763       6.625908  150.2578 75.77744 150.2578 75.77744 0.000000       0.000000 
1 1 1 30  0  25 o 68.77288 48.12526 -4.319263      5.802213  -4.319263      5.802213  -4.319263      5.802213  68.77288 48.12526 68.77288 48.12526 0.000000       0.000000 
1 1 1 30  0  26 o 136.6055 72.49054 8.552320       6.273835  8.552320       6.273835  8.552320       6.273835  136.6055 72.49054 136.6055 72.49054 0.000000       0.000000 
1 1 1 30  2  0  o 406.7849 23.64870 39.59246       4.505708  39.03357       6.565452  40.09003       6.194759  399.7858 35.27309 406.2424 32.69357 -6.456635      48.09429 
1 1 1 30  2  1  o 102.1851 41.54261 1.177825       3.128998  -4.717598      5.984400  3.395910       3.670727  105.8762 49.30903 127.6375 46.76380 -21.76132      67.95759 
1 1 1 30  2  2  o 392.3980 22.67886 36.79503       4.168328  39.35791       7.602270  35.69334       4.984361  398.9501 41.09760 384.9684 27.70955 13.98166       49.56644 
1 1 1 30  2  3  o 270.2624 24.21385 17.56471       3.045719  17.39356       4.256139  17.74434       4.360346  265.8649 34.87288 268.3958 35.40013 -2.530945      49.69192 
1 1 1 30  2  4  f 574.9608 16.70363 78.30788       4.517709  83.15556       6.471676  73.70021       6.309424  590.5145 23.29791 555.6492 24.13902 34.86530       33.54825 
1 1 1 30  2  5  o 361.4396 24.20308 31.33338       4.091279  32.49530       4.951066  28.83175       7.264772  366.6069 28.94515 337.7789 46.99464 28.82800       55.19346 
1 1 1 30  2  6  o 290.9450 28.59931 20.53533       3.863554  25.00231       4.749080  11.79251       6.643973  320.1479 31.96195 210.2278 62.55347 109.9202       70.24602 
1 1 1 30  2  7  o 757.3541 19.24404 136.3316       6.855900  137.6932       12.10320  135.6882       8.319320  752.7037 34.18275 753.6510 23.46650 -0.9473267     41.46247 
1 1 1 30  2  8  o 336.0013 27.51485 27.32279       4.310748  30.58859       7.851109  25.91335       5.157745  345.3237 49.76925 324.6505 34.29235 20.67322       60.43959 
1 1 1 30  2  9  o 101.3462 41.08185 1.262498       3.049871  0.7138554      4.420712  1.760822       4.213112  113.0835 47.93602 118.0390 48.12093 -4.955574      67.92265 
1 1 1 30  2  10 o 153.7051 47.24815 6.046085       3.747395  4.955030       4.596924  8.207492       6.470119  146.1718 52.50777 179.3492 62.48611 -33.17747      81.61850 
1 1 1 30  2  11 o 298.6719 30.86827 21.90434       4.274299  28.51962       8.220080  19.45285       5.003998  327.5688 55.31634 277.6525 39.41994 49.91629       67.92517 
1 1 1 30  2  12 o 370.7421 22.51288 33.07489       3.907613  37.03446       5.613431  29.35223       5.442913  388.5785 30.96713 344.1784 34.06582 44.40012       46.03741 
1 1 1 30  2  13 o 183.5037 40.28473 8.737315       3.382080  9.322305       4.827950  8.173623       4.739249  185.5449 52.79425 174.4900 53.03904 11.05486       74.83564 
1 1 1 30  2  14 o 126.3174 46.27781 3.592465       3.594762  5.639121       5.870595  2.364722       4.546882  155.1272 58.68589 123.5031 50.12687 31.62411       77.17989 
1 1 1 30  2  15 o 142.3939 46.80153 5.215207       3.626727  4.034655       4.414502  7.666469       6.361128  134.8113 50.91666 170.4913 61.69733 -35.67998      79.99416 
1 1 1 30  2  16 o 235.5467 34.18996 14.05154       3.677626  9.121505       5.039827  19.66660       5.378582  181.0316 54.62105 274.1476 43.13236 -93.11592      69.59785 
1 1 1 30  2  17 o 427.2277 22.97686 44.25093       4.600667  47.85803       6.535543  40.70763       6.477498  438.3931 31.91094 402.2341 34.57003 36.15897       47.04673 
1 1 1 30  2  18 o 237.4026 40.25341 14.73662       4.334688  13.79279       5.181199  16.93817       7.913111  223.3691 50.49630 234.8400 67.83156 -11.47093      84.56356 
1 1 1 30  2  19 o 115.4584 44.60587 2.725688       3.438798  3.629161       4.850899  1.812996       4.875586  132.3776 52.43187 120.3860 50.64805 11.99163       72.89942 
1 1 1 30  2  20 o 198.7571 44.46711 10.76159       4.053520  5.092153       7.248720  13.34113       4.889477  152.4874 62.75045 219.1200 48.69951 -66.63255      79.43085 
1 1 1 30  2  21 o 555.3342 19.78675 74.47385       5.168901  77.00047       7.335796  71.98256       7.284336  556.7650 28.10029 537.4362 28.91974 19.32874       40.32341 
1 1 1 30  2  22 o 276.6678 30.15137 19.40280       3.860522  15.18165       5.404303  23.80124       5.516636  229.2963 51.37766 298.8074 40.27351 -69.51114      65.28108 
1 1 1 30  2  23 o 128.7689 51.30537 3.846533       4.670132  0.2205708      6.835136  7.021404       6.395854  122.5890 55.43122 155.6609 60.63865 -33.07192      82.15635 
1 1 1 30  2  24 f 171.9610 52.64378 9.091726       4.657598  12.96076       6.731384  5.538050       6.451221  194.4046 63.75440 144.0459 59.22812 50.35866       87.02065 
1 1 1 30  2  25 o 161.4454 52.03252 8.188822       4.493795  6.875744       6.386055  9.476814       6.324760  148.7759 59.74760 166.0135 61.29505 -17.23763      85.59707 
1 1 1 30  2  26 o 111.5380 51.16673 0.1725327      6.096699  0.1725327      6.096699  0.000000       0.000000  111.5380 51.16673 ?        ?        0.000000       51.16673 
1 1 1 30  4  0  o 599.7075 19.12598 85.40491       5.395511  78.56719       9.406415  88.75777       6.586830  567.6762 35.40168 610.0862 22.95176 -42.40997      42.19078 
1 1 1 30  4  1  o 202.2018 35.90665 10.20562       3.290198  14.77408       6.549356  8.663450       3.805224  235.7486 59.15464 183.7595 44.49547 51.98903       74.02106 
1 1 1 30  4  2  o 340.3448 23.37448 27.75701       3.719544  27.04816       7.269568  28.00839       4.329137  326.1899 48.88284 340.7765 27.23364 -14.58655      55.95716 
1 1 1 30  4  3  o 342.3056 21.20537 27.98890       3.397706  27.44666       4.757512  28.55338       4.854107  336.2588 30.40610 343.0234 30.39751 -6.764648      42.99464 
1 1 1 30  4  4  o 292.5641 53.86424 22.22949       7.139801  22.22949       7.139801  0.000000       0.000000  292.5641 53.86424 ?        ?        0.000000       53.86424 
1 1 1 30  4  5  o 242.8085 34.42107 14.57179       3.821414  16.20144       4.688504  11.34661       6.595743  254.0171 40.60514 206.4801 62.52815 47.53700       74.55566 
1 1 1 30  4  6  o 216.0914 31.68230 11.51315       3.124855  10.65339       4.294366  12.48071       4.555621  203.1340 46.00901 220.4252 45.44579 -17.29118      64.66954 
1 1 1 30  4  7  o 432.7225 19.04191 44.51517       3.876049  42.65070       5.356891  46.56390       5.615362  420.4112 27.23394 439.3157 27.30780 -18.90448      38.56686 
1 1 1 30  4  8  o 355.5768 26.42247 30.53951       4.387950  24.84840       8.085673  32.91522       5.224134  305.4521 58.40208 367.6574 30.48151 -62.20529      65.87811 
1 1 1 30  4  9  o 174.7467 44.61665 7.931949       3.680265  5.166469       6.922382  9.021596       4.345234  160.6239 62.94312 185.2816 49.07556 -24.65767      79.81382 
1 1 1 30  4  10 o 350.6841 23.09399 29.58334       3.788324  27.82965       5.435139  31.24029       5.283094  335.3142 34.97258 356.9396 31.79775 -21.62546      47.26710 
1 1 1 30  4  11 o 374.9619 22.19173 33.78603       3.896819  33.66441       5.740924  33.88995       5.306541  369.4070 33.39872 372.0335 30.59324 -2.626587      45.29261 
1 1 1 30  4  12 f 368.6128 22.59642 32.72316       3.899228  38.02814       5.735895  28.16538       5.316623  393.4128 31.25187 336.8899 34.01471 56.52292       46.19177 
1 1 1 30  4  13 o 189.3878 41.80059 9.366915       3.624232  16.75387       6.589492  6.163227       4.339547  245.7401 57.94670 154.4642 51.21525 91.27588       77.33577 
1 1 1 30  4  14 o 250.2332 30.62050 15.55420       3.529142  18.45057       5.134371  12.96025       4.858932  266.8940 42.30696 219.8097 48.30991 47.08429       64.21625 
1 1 1 30  4  15 o 122.8928 44.48326 3.478793       3.306992  -0.1490068     4.614795  7.308311       4.741359  107.8647 47.33934 164.6741 53.48275 -56.80939      71.42421 
1 1 1 30  4  16 o 149.8388 48.22178 5.936948       3.860731  4.036816       4.747695  9.646255       6.633418  136.1560 52.46505 184.3432 63.32372 -48.18716      82.23428 
1 1 1 30  4  17 o 268.9702 31.36399 18.11008       3.893781  24.69264       5.400798  10.98500       5.618956  310.6484 37.73365 196.0087 57.31657 114.6397       68.62228 
1 1 1 30  4  18 o 119.1150 44.81965 3.110519       3.413263  6.599984       4.806234  -0.4401554     4.848204  156.6602 53.89644 107.7719 47.85409 48.88826       72.07524 
1 1 1 30  4  19 o 142.6442 46.04355 5.416052       3.517831  -0.4966315     4.654070  13.29634       5.372935  105.0777 46.76083 216.5513 53.14198 -111.4736      70.78590 
1 1 1 30  4  20 o 251.0637 31.94723 15.98856       3.687531  17.62393       5.122036  14.22889       5.313125  255.8933 44.14642 224.3242 51.44625 31.56909       67.79103 
1 1 1 30  4  21 o 83.21858 39.11337 -3.119746      3.911152  -14.92271      7.130386  1.959725       4.677639  87.11396 43.41590 118.1205 49.64758 -31.00653      65.95319 
1 1 1 30  4  22 o 66.74073 32.87121 -6.809328      3.657443  -6.911416      6.195771  -6.754726      4.531167  94.91062 45.84487 77.92502 38.00263 16.98560       59.54790 
1 1 1 30  4  23 o 255.4539 36.07381 17.24819       4.214227  21.60523       7.036077  14.81077       5.262588  264.9441 58.05919 224.4391 51.00405 40.50497       77.28054 
1 1 1 30  4  24 o 157.0934 48.57930 7.347553       3.954799  7.042212       6.432017  7.533157       5.014739  152.5351 60.38800 156.1934 54.97582 -3.658295      81.66425 
1 1 1 30  4  25 o 197.6736 60.85368 13.54638       6.213708  13.54638       6.213708  0.000000       0.000000  197.6736 60.85368 ?        ?        0.000000       60.85368 
1 1 1 30  4  26 o 164.8157 61.66652 10.07432       6.443726  10.07432       6.443726  0.000000       0.000000  164.8157 61.66652 ?        ?        0.000000       61.66652 
1 1 1 30  6  0  o 302.0810 24.72895 21.97579       3.483177  39.38764       7.577449  17.31092       3.922116  397.9264 41.07162 265.6782 32.02884 132.2481       52.08382 
1 1 1 30  6  1  o 106.3463 41.97676 1.727090       3.099282  2.104638       6.497413  1.615883       3.526312  141.1373 58.86001 110.1467 44.34032 30.99059       73.69236 
1 1 1 30  6  2  o 854.5821 34.07627 177.4079       13.69857  177.4079       13.69857  0.000000       0.000000  854.5821 34.07627 ?        ?        0.000000       34.07627 
1 1 1 30  6  3  o 302.3289 31.62981 22.32758       4.431678  19.03092       7.354959  24.20668       5.552880  266.6662 60.07495 312.1866 38.63760 -45.52039      71.42734 
1 1 1 30  6  4  o 593.5034 19.14622 83.72668       5.345343  93.36909       6.854031  68.75744       8.539907  625.1705 23.30656 530.6817 34.39494 94.48883       41.54766 
1 1 1 30  6  5  o 406.1771 19.36749 39.23379       3.700479  37.52518       5.176958  41.01882       5.291456  393.9195 28.12300 412.1932 27.44703 -18.27365      39.29684 
1 1 1 30  6  6  f 333.1884 21.72580 26.59446       3.386507  26.42001       4.788511  26.76903       4.789977  328.9062 31.32851 331.1721 31.11227 -2.265900      44.15257 
1 1 1 30  6  7  o 451.3910 18.69539 48.45481       3.969691  47.76004       5.567677  49.17318       5.661480  444.8579 26.73027 451.3896 26.78279 -6.531708      37.83947 
1 1 1 30  6  8  f 452.7733 18.94498 48.79194       4.035007  52.82928       5.857502  45.14600       5.566348  467.7039 26.73488 431.8983 27.54161 35.80566       38.38351 
1 1 1 30  6  9  o 154.7048 61.81972 4.411416       6.799488  4.411416       6.799488  0.000000       0.000000  154.7048 61.81972 ?        ?        0.000000       61.81972 
1 1 1 30  6  10 o 123.5078 45.86826 3.223111       3.552011  -6.043401      6.908641  6.552793       4.141292  109.3038 51.56025 159.0408 49.79903 -49.73702      71.68265 
1 1 1 30  6  11 o 168.0246 39.43427 7.301495       3.063321  9.824912       4.536488  5.186450       4.153221  191.6966 49.84286 145.1861 50.09271 46.51045       70.66534 
1 1 1 30  6  12 o 305.0087 26.20158 22.66060       3.722822  18.55827       6.020844  25.19981       4.736868  263.9936 50.32056 319.1625 31.98108 -55.16895      59.62339 
1 1 1 30  6  13 o 297.9454 24.17213 21.55223       3.358620  23.51163       4.719484  19.54165       4.780720  307.1906 33.18745 277.6024 37.57578 29.58817       50.13328 
1 1 1 30  6  14 o 358.4924 22.17175 31.03935       3.720594  31.52558       5.219204  30.53696       5.305280  356.6835 31.42768 350.3633 32.56250 6.320190       45.25500 
1 1 1 30  6  15 o 143.0634 43.85209 5.362159       3.230670  6.685951       4.560439  4.028546       4.577324  158.4184 52.50143 135.3718 51.67355 23.04657       73.66515 
1 1 1 30  6  16 o 114.6556 43.39365 2.751318       3.210589  -0.3878216     4.378562  6.401829       4.721751  103.6052 45.76570 155.6291 53.42757 -52.02389      70.34917 
1 1 1 30  6  17 o 146.2111 51.77773 5.473505       4.454819  5.473505       4.454819  0.000000       0.000000  146.2111 51.77773 ?        ?        0.000000       51.77773 
1 1 1 30  6  18 o 165.6494 43.38325 7.399468       3.420629  9.590954       4.595947  4.677985       5.121635  185.1936 51.09326 141.8466 54.53667 43.34705       74.73132 
1 1 1 30  6  19 o 292.3326 28.08955 21.22664       3.815146  16.87120       5.151434  26.51752       5.677744  249.9593 45.48741 320.0044 38.49021 -70.04512      59.58692 
1 1 1 30  6  20 o 409.0124 22.41545 40.75082       4.296314  50.52955       6.159295  31.48430       5.995814  450.2740 29.23763 349.0540 37.08425 101.2200       47.22372 
1 1 1 30  6  21 o 247.2876 47.37914 17.00854       5.310716  0.000000       0.000000  17.00854       5.310716  ?        ?        247.2876 47.37914 0.000000       47.37914 
1 1 1 30  6  22 o 216.8853 38.94651 12.62597       3.827419  13.79608       6.864927  12.09819       4.610487  205.6994 64.06902 205.3860 48.49674 0.3133850      80.35404 
1 1 1 30  6  23 o 276.4328 33.20626 19.89507       4.231558  28.04103       7.606051  16.24359       5.092410  305.8040 54.89174 238.3717 47.08527 67.43231       72.31961 
1 1 1 30  6  24 o 282.2196 38.96996 21.73050       5.035500  28.42152       7.231088  15.43104       7.016312  308.3586 51.68019 209.7184 64.68154 98.64014       82.79218 
1 1 1 30  6  25 o 117.8243 52.40463 1.694114       5.837480  1.694114       5.837480  0.000000       0.000000  117.8243 52.40463 ?        ?        0.000000       52.40463 
1 1 1 30  6  26 o 157.4264 59.41171 8.977408       6.007446  8.977408       6.007446  0.000000       0.000000  157.4264 59.41171 ?        ?        0.000000       59.41171 
1 1 1 30  8  0  o 233.2237 39.20126 13.72282       4.148156  18.05589       7.067183  11.44533       5.123611  258.7189 59.33340 207.8984 52.40654 50.82048       79.16373 
1 1 1 30  8  1  o 338.0405 50.44193 29.47979       7.775541  29.47979       7.775541  0.000000       0.000000  338.0405 50.44193 ?        ?        0.000000       50.44193 
1 1 1 30  8  2  o 502.4037 23.12965 60.35792       5.466271  72.97860       9.595075  54.29367       6.651132  543.9447 37.73271 472.9662 30.05078 70.97845       48.23698 
1 1 1 30  8  3  o 415.9498 21.03438 41.35884       4.102295  51.96196       8.462498  38.10179       4.690234  457.3693 39.72812 397.7950 25.19501 59.57431       47.04373 
1 1 1 30  8  4  o 108.7069 42.22374 2.024087       3.094124  8.186684       6.730403  0.3726194      3.484129  180.5414 63.67402 99.80637 42.44217 80.73502       76.52267 
1 1 1 30  8  5  o 90.15854 37.86070 0.4736667      2.716271  4.344647       3.930938  -3.063621      3.757689  137.2499 48.63442 83.91525 39.07853 53.33463       62.38940 
1 1 1 30  8  6  o 236.7102 27.44411 13.67577       2.999177  11.67553       4.214865  15.72734       4.268600  212.8126 43.57005 250.4597 37.37475 -37.64709      57.40402 
1 1 1 30  8  7  o 172.6912 36.30101 7.580353       2.855263  10.04756       4.184638  5.431117       3.905683  196.0154 46.14828 147.4906 48.57251 48.52472       66.99964 
1 1 1 30  8  8  o 282.0688 23.98908 19.23043       3.152791  21.47757       4.429718  16.92345       4.488298  295.0573 32.45171 259.3057 37.91634 35.75153       49.90754 
1 1 1 30  8  9  o 260.4415 26.94014 16.55090       3.252787  18.92266       4.587943  14.15376       4.612427  274.8179 36.38441 234.0143 43.50159 40.80362       56.71167 
1 1 1 30  8  10 o 131.7576 45.89999 4.138588       3.491120  12.48514       7.225908  1.597053       3.987375  210.1978 65.77483 113.5152 46.60641 96.68260       80.61319 
1 1 1 30  8  11 o 279.4456 37.31942 19.71862       4.783124  0.000000       0.000000  19.71862       4.783124  ?        ?        279.4456 37.31942 0.000000       37.31942 
1 1 1 30  8  12 o 406.0139 20.43918 39.58644       3.891176  40.12031       5.577319  39.08013       5.431488  404.2914 29.53089 399.2187 29.12360 5.072754       41.47599 
1 1 1 30  8  13 o 138.5323 41.90493 4.972258       2.963600  5.874968       3.992474  3.864458       4.422814  150.1724 49.09251 133.6478 50.84687 16.52461       70.67870 
1 1 1 30  8  14 o 240.8154 29.82484 14.41837       3.306287  13.67387       4.496422  15.29479       4.878504  227.8409 43.54068 240.5889 44.75354 -12.74797      62.43933 
1 1 1 30  8  15 o 192.5226 36.55339 9.559312       3.189315  8.297921       4.236115  11.20998       4.845879  174.3313 49.40014 201.6819 51.03600 -27.35063      71.02849 
1 1 1 30  8  16 o 265.8695 32.69920 17.77775       4.003345  22.37241       4.840371  7.829965       7.122210  297.1065 35.32595 171.6650 64.71273 125.4415       73.72693 
1 1 1 30  8  17 o 127.2112 43.87773 4.027412       3.186460  4.674974       4.232265  3.179955       4.841626  138.0670 50.26975 129.7256 52.04949 8.341309       72.36157 
1 1 1 30  8  18 o 122.6772 45.37761 3.478923       3.469539  2.337740       4.105241  6.331748       6.490808  117.6408 47.67121 158.3248 61.25034 -40.68399      77.61538 
1 1 1 30  8  19 o 68.52412 33.01286 -4.253899      3.161647  0.3359289      4.438137  -8.983281      4.505104  107.0391 46.71412 72.54497 35.86998 34.49409       58.89706 
1 1 1 30  8  20 f 226.8593 37.50021 13.50623       3.862017  13.84364       5.757506  13.23023       5.207282  216.5722 56.07386 214.6064 52.10456 1.965759       76.54517 
1 1 1 30  8  21 o 74.33324 35.41951 -3.613799      3.422328  -1.096017      5.511450  -5.193819      4.366044  108.5119 49.34620 80.83459 38.90730 27.67732       62.83968 
1 1 1 30  8  22 o 123.7281 49.03239 3.449652       4.244379  0.000000       0.000000  3.449652       4.244379  ?        ?        123.7281 49.03239 0.000000       49.03239 
1 1 1 30  8  23 f 147.5154 45.91528 6.284898       3.526448  -0.6551725     6.067900  9.824395       4.333385  112.2687 51.33360 181.4772 49.42525 -69.20844      71.26005 
1 1 1 30  8  24 o 73.29433 35.61989 -5.204999      3.885769  -0.1827884     5.381016  -10.67777      5.617205  107.5197 48.84242 78.45638 39.00909 29.06335       62.50833 
1 1 1 30  8  25 o 218.8301 45.04671 14.15707       4.482483  17.00357       6.248212  11.13853       6.434259  223.6293 58.66531 174.0986 62.16533 49.53069       85.47601 
1 1 1 30  10 0  o 245.1511 34.80993 14.99586       3.901514  18.80797       7.304756  13.47434       4.614896  261.9127 60.50751 228.1337 44.60187 33.77902       75.16971 
1 1 1 30  10 1  f 102.9809 43.89454 0.4157681      3.742518  1.425387       6.852324  -0.1342930E-01 4.467739  138.6809 59.25991 108.7079 47.16114 29.97299       75.73580 
1 1 1 30  10 2  o 153.3753 41.74735 6.067395       3.092689  16.31094       6.739234  3.334627       3.480862  244.4335 59.23205 124.2921 45.53830 120.1414       74.71394 
1 1 1 30  10 3  o 297.7946 26.73408 21.53964       3.705103  23.34423       7.762316  21.00718       4.216430  294.3174 58.12913 292.4369 31.12949 1.880493       65.93967 
1 1 1 30  10 4  o 131.2495 44.50564 4.141904       3.275568  -6.837099      6.464571  7.934319       3.799410  102.6258 48.83991 174.1110 45.78153 -71.48521      66.94241 
1 1 1 30  10 5  o 452.8968 20.29613 48.96328       4.323961  30.14269       9.031198  54.56062       4.925151  333.7856 59.71067 477.4969 21.92702 -143.7112      63.60942 
1 1 1 30  10 6  o 132.7017 44.03140 4.320458       3.207318  4.868537       3.994821  3.326397       5.380001  141.8410 49.11737 137.9615 55.03565 3.879486       73.76611 
1 1 1 30  10 7  o 428.9975 19.07683 43.89074       3.849730  55.67733       5.766219  34.41201       5.170970  479.8929 25.63610 375.2287 29.53463 104.6642       39.10888 
1 1 1 30  10 8  o 257.3691 26.34579 16.16131       3.144647  14.58463       4.421888  17.77462       4.472957  238.4903 40.88712 265.7537 36.76521 -27.26337      54.98579 
1 1 1 30  10 9  o 275.4897 25.04193 18.45227       3.209764  17.23964       4.477704  19.73400       4.603491  261.0277 37.54760 280.4568 35.70370 -19.42917      51.81290 
1 1 1 30  10 10 o 237.1698 30.80899 13.97113       3.356029  23.96255       5.730585  8.755661       4.140305  306.2603 40.79210 180.8630 47.90392 125.3972       62.91884 
1 1 1 30  10 11 o 231.8145 36.77022 13.67299       3.875802  10.82045       7.921350  14.57082       4.444097  195.6975 69.07191 237.2313 41.32562 -41.53377      80.49060 
1 1 1 30  10 12 o 118.6667 45.81159 2.764598       3.625143  9.360881       7.498819  0.7528812      4.141203  184.6923 66.96458 108.4313 46.19446 76.26105       81.35221 
1 1 1 30  10 13 o 119.7730 41.78828 3.419410       2.894192  0.4724423E-01  3.975597  7.221579       4.221469  101.9529 44.35935 163.6796 50.12015 -61.72667      66.93117 
1 1 1 30  10 14 o 105.4872 41.48518 1.947767       3.016761  2.932314       4.214989  0.9137331      4.319623  124.2321 48.97935 110.8999 47.21100 13.33218       68.02834 
1 1 1 30  10 15 o 156.2857 45.67726 6.547515       3.569398  7.808040       4.244839  3.504756       6.595068  169.0154 49.93040 143.5789 59.54055 25.43646       77.70535 
1 1 1 30  10 16 f 148.0744 42.46246 5.831268       3.111037  10.67707       4.304236  0.5305346      4.501748  198.1238 46.90960 109.8596 47.50039 88.26424       66.75925 
1 1 1 30  10 17 f 137.4079 43.50687 4.965122       3.152469  5.590570       4.215920  4.171885       4.747863  146.0201 50.46434 136.0637 52.45576 9.956436       72.78912 
1 1 1 30  10 18 o 281.1041 28.92635 19.70828       3.770391  16.91471       5.061816  23.19000       5.650979  250.8600 44.52566 296.6938 41.63608 -45.83380      60.95980 
1 1 1 30  10 19 o 135.4487 46.44912 4.815517       3.568370  6.685494       5.271714  3.234206       4.847775  155.8852 56.20388 128.3003 51.86889 27.58485       76.48044 
1 1 1 30  10 20 o 274.2715 30.67824 19.06937       3.890245  12.95779       5.934582  23.67437       5.151437  206.3911 58.46593 301.1079 37.15768 -94.71675      69.27451 
1 1 1 30  10 21 f 98.75882 41.64497 1.084079       3.308580  1.772890       5.605508  0.7158161      4.098684  122.2610 52.93337 104.1569 45.17901 18.10413       69.59228 
1 1 1 30  10 22 o 109.4353 43.48970 2.468967       3.347674  -2.374851      5.598296  5.165119       4.176708  102.4421 47.70372 136.9057 49.92471 -34.46361      69.05159 
1 1 1 30  10 23 o 92.06428 43.64434 -3.585018      5.066452  0.000000       0.000000  -3.585018      5.066452  ?        ?        92.06428 43.64434 0.000000       43.64434 
1 1 1 30  10 24 o 142.7746 49.54233 6.200646       4.065249  5.618312       5.754979  6.780619       5.743299  139.0678 56.41176 146.6585 57.37053 -7.590683      80.45909 
1 1 1 30  12 0  o 91.92449 38.33562 0.6818218      2.756097  -0.1773187     6.269473  0.8876258      3.068498  124.8864 54.98467 97.69877 40.57195 27.18762       68.33298 
1 1 1 30  12 1  f 260.0200 27.19505 16.53347       3.277120  31.62902       7.315782  12.74397       3.665447  350.3127 45.46740 224.6902 35.88711 125.6225       57.92382 
1 1 1 30  12 2  o 166.9104 40.89585 7.244674       3.185737  8.344234       6.983895  6.955766       3.579880  179.4630 64.69254 162.7695 45.16471 16.69341       78.89851 
1 1 1 30  12 3  o 175.3680 39.56584 7.953204       3.186302  10.17241       6.805602  7.330187       3.605929  192.5674 64.15108 166.9768 44.92403 25.59061       78.31686 
1 1 1 30  12 4  o 114.3434 42.93674 2.661754       3.129399  10.74614       7.005873  0.6466551      3.497736  196.8885 65.06416 101.1637 42.74757 95.72475       77.85049 
1 1 1 30  12 5  o 126.0909 44.38102 3.722654       3.268139  -0.8822832     6.758477  5.128063       3.733691  125.9803 56.18476 142.8394 47.51272 -16.85913      73.58115 
1 1 1 30  12 6  o 414.4861 21.29900 41.27162       4.138744  42.03330       8.757933  41.05260       4.696220  402.5746 47.13976 412.0698 24.33545 -9.495209      53.05065 
1 1 1 30  12 7  o 557.7187 19.82622 74.38506       5.201450  87.33651       10.94697  70.60841       5.911376  588.7789 39.75799 541.7318 23.19717 47.04706       46.03050 
1 1 1 30  12 8  o 284.4503 24.52479 19.66351       3.249492  22.30043       4.781263  17.40003       4.429788  298.4702 34.70208 262.1772 36.94279 36.29297       50.68534 
1 1 1 30  12 9  o 351.7025 23.41158 29.93212       3.851119  27.17598       6.198857  31.66456       4.914634  325.5911 41.41037 358.9557 29.36292 -33.36459      50.76416 
1 1 1 30  12 10 o 234.2461 28.67267 13.57070       3.093477  17.87868       4.501140  9.714465       4.258602  265.3313 37.07607 189.9712 47.71840 75.36008       60.42913 
1 1 1 30  12 11 o 165.9120 38.16962 7.165921       2.916983  10.55875       4.162709  3.892569       4.088758  198.9253 45.47631 131.7068 49.15284 67.21851       66.96339 
1 1 1 30  12 12 o 97.92918 42.01863 0.3462070      3.470644  0.5784780      7.635861  0.2857287      3.896373  137.1533 60.51847 102.5454 44.26480 34.60789       74.97905 
1 1 1 30  12 13 o 415.4072 41.39929 44.38169       7.982008  0.000000       0.000000  44.38169       7.982008  ?        ?        415.4072 41.39929 0.000000       41.39929 
1 1 1 30  12 14 o 319.8788 27.76502 25.19045       4.136407  28.95423       5.086216  17.83888       7.108416  340.6070 32.12419 248.1122 61.26952 92.49472       69.18033 
1 1 1 30  12 15 o 94.78795 42.00995 -0.5526594     3.719384  13.78716       7.943573  -4.579215      4.209310  212.1778 69.24158 82.39148 39.26535 129.7864       79.60003 
1 1 1 30  12 16 o 110.9570 42.50030 2.510136       3.103110  2.338094       4.212865  2.714183       4.588019  118.7468 48.23154 124.3759 50.39780 -5.629112      69.75829 
1 1 1 30  12 17 o 227.3461 32.20525 13.12180       3.347839  19.69633       4.855631  7.164429       4.622115  275.3154 38.54966 160.6788 52.83630 114.6366       65.40451 
1 1 1 30  12 18 o 286.7836 28.99353 20.57195       3.857607  19.60761       6.119902  21.20771       4.969089  264.4933 51.03715 285.4198 37.95120 -20.92648      63.60098 
1 1 1 30  12 19 o 226.8945 44.72214 14.12237       4.603562  7.856719       5.913914  23.75743       7.333634  164.5323 59.49698 284.5737 56.77431 -120.0414      82.23875 
1 1 1 30  12 20 o 178.7469 42.29909 8.823231       3.501233  6.851963       5.316432  10.33300       4.652671  154.6568 56.33693 187.8018 51.24117 -33.14500      76.15450 
1 1 1 30  12 21 o 250.6860 33.21928 16.35903       3.820838  20.55589       6.329673  13.95311       4.792476  263.6516 52.87657 220.4892 47.60094 43.16237       71.14619 
1 1 1 30  12 22 o 109.5414 45.52002 2.086622       3.866251  -0.1608502E-01 5.566961  4.045779       5.373576  110.8597 50.08575 131.2020 54.01384 -20.34229      73.66191 
1 1 1 30  12 23 o 85.82741 39.76640 -1.702612      3.815452  -1.441736      5.584236  -1.931035      5.225353  103.6249 48.04653 98.78859 46.03080 4.836357       66.53799 
1 1 1 30  14 0  o 223.2298 26.28563 12.24215       2.707299  12.64269       6.773078  12.16599       2.953505  209.6650 63.33418 221.5061 29.04542 -11.84106      69.67679 
1 1 1 30  14 1  o 496.9652 16.73400 58.82759       3.911967  57.66945       8.878429  59.10661       4.357784  476.8745 39.94682 497.3971 18.62487 -20.52258      44.07532 
1 1 1 30  14 2  o 359.9610 24.48907 31.42994       4.121995  34.15577       8.044301  30.45939       4.800051  360.1107 48.74030 352.0779 29.24740 8.032898       56.84212 
1 1 1 30  14 3  o 158.3717 39.88667 6.550741       2.969841  9.539240       6.881677  5.866773       3.292195  186.0201 64.46357 149.6375 43.90595 36.38269       77.99541 
1 1 1 30  14 4  o 245.1717 28.80304 14.84017       3.258541  19.52735       7.499416  13.74930       3.617912  262.3185 61.79288 233.7865 33.88572 28.53194       70.47412 
1 1 1 30  14 5  f 167.0972 39.69719 7.287274       3.074108  4.619501       6.627456  8.018594       3.469974  152.0403 60.93420 174.3889 42.65269 -22.34857      74.37895 
1 1 1 30  14 6  o 89.78307 38.96078 -0.7402146E-01 3.050662  2.749109       6.817832  -0.7807503     3.411201  142.5450 59.92747 90.09634 40.06659 52.44869       72.08768 
1 1 1 30  14 7  o 194.3735 38.67539 9.774128       3.411835  9.910821       7.104865  9.733158       3.889669  188.3902 65.48833 191.6779 44.06149 -3.287674      78.93121 
1 1 1 30  14 8  o 256.9900 36.73248 16.77697       4.314202  0.000000       0.000000  16.77697       4.314202  ?        ?        256.9900 36.73248 0.000000       36.73248 
1 1 1 30  14 9  o 323.5198 22.15327 25.30004       3.351087  29.94537       4.988088  21.47870       4.524116  347.8871 30.79914 292.9286 33.43124 54.95847       45.45585 
1 1 1 30  14 10 o 81.15025 36.20456 -0.7961150     2.809062  -6.064044      3.939055  4.655234       4.007044  74.08145 35.97028 138.0862 49.08452 -64.00476      60.85352 
1 1 1 30  14 11 o 197.6366 33.29704 9.906343       2.985545  9.469310       4.243689  10.33463       4.201032  186.8914 48.01482 196.1088 46.28452 -9.217361      66.69093 
1 1 1 30  14 12 f 252.0152 26.58786 15.62232       3.104376  14.77656       4.458878  16.41795       4.324697  237.9937 41.32747 253.2609 37.42859 -15.26715      55.75714 
1 1 1 30  14 13 o 95.15755 46.56189 -10.90963      6.969623  -10.90963      6.969623  0.000000       0.000000  95.15755 46.56189 ?        ?        0.000000       46.56189 
1 1 1 30  14 14 o 144.4572 46.98633 5.500916       3.658966  15.08324       7.755438  2.757295       4.149857  222.0060 67.92566 121.7464 48.40857 100.2596       83.41034 
1 1 1 30  14 15 o 116.7342 42.25562 3.172861       2.984109  2.938535       4.077044  3.443244       4.379505  122.2162 48.17546 128.2553 50.11830 -6.039139      69.51776 
1 1 1 30  14 16 o 119.6476 42.36377 3.477655       2.982057  0.9278403      4.036158  6.542662       4.425167  106.8662 45.56812 154.6579 51.73278 -47.79169      68.94007 
1 1 1 30  14 17 f 152.3370 40.96061 6.267508       2.998800  2.526904       4.123063  10.46872       4.369549  118.3058 47.83266 193.3722 48.20562 -75.06641      67.90983 
1 1 1 30  14 18 o 114.4834 44.19076 2.816539       3.372816  3.058859       5.245889  2.645782       4.403656  128.8107 53.23341 120.5064 49.16991 8.304291       72.46706 
1 1 1 30  14 19 o 177.7574 42.93035 8.760052       3.549271  10.56778       5.400553  7.385617       4.709056  186.2964 56.61670 159.2219 53.36588 27.07451       77.80339 
1 1 1 30  14 20 o 243.5431 43.16244 16.40093       4.763800  14.26278       6.257228  19.34899       7.347375  211.3172 60.09453 243.9348 63.43544 -32.61758      87.38082 
1 1 1 30  14 21 o 208.4917 43.30098 12.27270       4.107894  9.346018       5.722843  15.38347       5.900090  170.1022 58.79505 221.1663 56.50462 -51.06410      81.54527 
1 1 1 30  14 22 o 326.6353 31.05928 27.75531       4.714814  27.09572       6.586948  28.44828       6.751607  304.5954 47.52323 312.2529 47.45965 -7.657562      67.16305 
1 1 1 30  16 0  o 411.3188 16.66463 40.34982       3.224359  33.76933       8.006161  41.62378       3.522671  355.7351 49.15762 417.3015 17.94539 -61.56638      52.33076 
1 1 1 30  16 1  o 74.09074 32.98116 -0.6532289     2.317141  -3.463139      5.863355  -0.1331697     2.522472  105.7886 49.11437 81.37448 35.36992 24.41408       60.52481 
1 1 1 30  16 2  f 203.0406 28.43982 10.24931       2.641779  14.65815       6.631010  9.417513       2.880225  225.6218 61.01178 192.7560 32.94872 32.86583       69.34014 
1 1 1 30  16 3  o 207.2609 29.82805 10.72309       2.824346  10.10107       6.670908  10.85894       3.117548  188.8186 63.51574 207.2767 33.08633 -18.45810      71.61672 
1 1 1 30  16 4  o 204.5605 31.32997 10.50674       2.918732  7.586207       6.393108  11.27576       3.280576  169.8632 61.79359 210.8268 34.25509 -40.96364      70.65309 
1 1 1 30  16 5  o 118.9179 42.09199 3.309646       2.943693  5.671819       6.703896  2.745403       3.276459  158.0522 61.94004 115.5518 43.81153 42.50034       75.86843 
1 1 1 30  16 6  o 185.7845 40.42568 9.036861       3.432514  -3.998217      6.935625  13.26534       3.950214  114.3466 53.19695 227.1297 38.33721 -112.7831      65.57177 
1 1 1 30  16 7  o 97.90788 45.00903 -2.491038      4.751746  0.000000       0.000000  -2.491038      4.751746  ?        ?        97.90788 45.00903 0.000000       45.00903 
1 1 1 30  16 8  o 164.6932 40.63482 7.140986       3.128687  14.85137       7.129586  5.302043       3.481853  225.2596 64.17738 142.8776 45.77494 82.38197       78.82944 
1 1 1 30  16 9  o 139.3100 43.39470 5.044127       3.149212  3.073722       7.083237  5.529575       3.515810  144.9053 61.00981 145.3212 45.93862 -0.4158783     76.37115 
1 1 1 30  16 10 o 153.7913 39.67472 6.221162       2.889194  2.674691       3.976713  10.18591       4.204687  120.3073 47.52937 194.2847 46.60552 -73.97739      66.56663 
1 1 1 30  16 11 o 326.0315 22.18464 25.74957       3.382134  25.67787       4.801691  25.82016       4.764645  320.4839 32.29061 321.5915 31.91771 -1.107513      45.40290 
1 1 1 30  16 12 o 97.70897 40.92371 0.8870243      3.160008  -2.554086      3.797402  8.635553       5.698321  85.31121 39.57841 175.3997 58.70475 -90.08845      70.80041 
1 1 1 30  16 13 o 133.8310 39.76466 4.693202       2.686273  4.038846       3.674122  5.444721       3.937461  129.4880 46.88488 144.1693 48.79596 -14.68124      67.67006 
1 1 1 30  16 14 o 302.4130 29.75384 22.81522       4.177856  25.00892       8.574808  22.13236       4.784114  288.7179 64.73508 294.5185 35.23112 -5.800659      73.70117 
1 1 1 30  16 15 o 117.0367 45.75605 2.772470       3.651625  0.7963734      7.164644  3.465932       4.244259  131.4461 58.27905 126.7857 49.39515 4.660439       76.39587 
1 1 1 30  16 16 o 104.1277 40.95418 2.037611       2.940273  -0.4938865E-01 3.844752  4.977617       4.563323  98.09501 43.12678 139.9424 51.98598 -41.84737      67.54600 
1 1 1 30  16 17 o 152.9471 43.89813 6.468727       3.323653  3.159929       4.729937  9.696024       4.671321  126.0324 51.13556 182.5355 51.92831 -56.50308      72.87932 
1 1 1 30  16 18 o 440.2288 22.32569 47.46207       4.608178  50.41618       7.476951  45.65266       5.851672  439.6522 36.48274 425.6206 29.40761 14.03162       46.85934 
1 1 1 30  16 19 o 331.5238 25.59127 27.42398       3.960057  27.87753       6.392511  27.14154       5.044599  317.6125 43.96529 323.2193 33.67313 -5.606750      55.37893 
1 1 1 30  16 20 o 82.19907 38.21633 -2.022630      3.570126  -5.365637      4.826040  2.018133       5.305839  84.15241 40.60185 119.1611 51.54519 -35.00866      65.61568 
1 1 1 30  16 21 o 95.19867 44.47710 -2.233353      4.930667  -2.233353      4.930667  0.000000       0.000000  95.19867 44.47710 ?        ?        0.000000       44.47710 
1 1 1 30  18 0  o 296.3524 20.80669 21.22498       2.882169  17.98752       6.855227  21.92013       3.176563  250.4254 59.13849 300.4559 22.64180 -50.03050      63.32466 
1 1 1 30  18 1  o 82.89654 34.35917 0.6385613      2.194669  6.519025       6.515793  -0.1139477     2.330866  161.6513 61.66452 78.38017 34.03414 83.27116       70.43320 
1 1 1 30  18 2  o 86.03252 35.63503 0.7141812      2.358408  5.957195       6.284291  -0.1452914     2.544379  157.2493 60.42192 81.53043 35.48056 75.71886       70.06911 
1 1 1 30  18 3  o 283.0078 21.39419 19.37670       2.827118  10.92747       6.845835  21.11394       3.104181  194.2299 64.32304 295.0444 22.53657 -100.8145      68.15681 
1 1 1 30  18 4  f 250.6495 25.51459 15.40217       2.966380  19.39061       7.390526  14.63622       3.238712  259.3444 61.51082 242.8952 28.91362 16.44917       67.96748 
1 1 1 30  18 5  o 259.2780 26.29722 16.51117       3.162962  18.82580       7.939039  16.07446       3.448463  251.7312 66.17216 254.4970 29.34292 -2.765869      72.38619 
1 1 1 30  18 6  o 108.7182 42.96331 2.056307       3.250217  0.000000       0.000000  2.056307       3.250217  ?        ?        108.7182 42.96331 0.000000       42.96331 
1 1 1 30  18 7  o 550.9237 20.39868 72.91138       5.286433  73.72176       10.71123  72.65042       6.078298  533.8452 43.01858 548.0154 23.57870 -14.17029      49.05664 
1 1 1 30  18 8  o 221.7584 32.91880 12.43355       3.329716  8.858502       7.132421  13.42984       3.765197  178.8249 65.23601 229.0738 36.13982 -50.24889      74.57763 
1 1 1 30  18 9  o 139.9234 43.20675 5.138280       3.129712  -4.800833      6.436858  8.215417       3.581570  106.2495 50.01297 175.0155 43.65073 -68.76601      66.38286 
1 1 1 30  18 10 o 342.3764 23.68018 28.53982       3.790373  23.54340       7.984887  29.99318       4.306502  284.8765 61.39573 349.6136 26.38015 -64.73712      66.82325 
1 1 1 30  18 11 o 139.0984 52.08445 4.632254       4.598519  12.21165       7.166400  -0.6730084     5.995662  201.1202 65.77377 117.3014 52.57233 83.81876       84.20237 
1 1 1 30  18 12 o 295.1919 23.10579 21.25827       3.182841  25.05403       4.531843  17.56341       4.471204  316.3433 30.84666 260.6165 37.55571 55.72678       48.59988 
1 1 1 30  18 13 o 161.1821 38.31029 6.898710       2.861964  9.424356       4.000903  4.252072       4.095614  184.9915 46.13341 132.6251 49.25343 52.36636       67.48475 
1 1 1 30  18 14 o 133.5933 41.25792 4.746684       2.853635  7.370590       3.775527  1.250401       4.358196  162.8739 46.79882 111.4430 47.43127 51.43093       66.63224 
1 1 1 30  18 15 o 200.1509 41.74417 10.85278       3.803039  10.30321       7.053508  11.07802       4.515616  182.1804 65.08416 197.7155 48.83876 -15.53511      81.37059 
1 1 1 30  18 16 o 138.8498 50.57071 5.121990       4.283576  0.000000       0.000000  5.121990       4.283576  ?        ?        138.8498 50.57071 0.000000       50.57071 
1 1 1 30  18 17 o 146.5737 43.86712 6.012667       3.260395  5.303211       5.339519  6.434453       4.117040  142.2074 55.40321 149.8806 49.89405 -7.673203      74.55824 
1 1 1 30  18 18 o 389.1086 22.95365 37.36630       4.182775  48.12724       7.378224  32.27004       5.077531  426.2120 37.17286 355.0174 30.70653 71.19461       48.21527 
1 1 1 30  18 19 o 250.9853 35.94662 16.84667       4.122804  18.70393       5.957487  15.13972       5.711349  248.6485 52.57759 219.9405 55.26968 28.70802       76.28329 
1 1 1 30  20 0  o 191.5448 25.30546 9.080252       2.224275  16.37634       6.223409  8.011779       2.381579  239.4035 56.22115 178.1994 29.43924 61.20419       63.46248 
1 1 1 30  20 1  o 110.3491 35.17400 3.050845       2.057883  2.913496       5.820940  3.070464       2.199949  134.4315 55.85778 111.2187 36.44592 23.21284       66.69630 
1 1 1 30  20 2  o 459.8389 15.29760 50.37966       3.309012  33.97741       7.522401  54.31501       3.684652  358.0195 45.70956 476.9956 16.42150 -118.9761      48.56985 
1 1 1 30  20 3  f 135.4265 35.76054 4.781464       2.311815  8.926873       6.312244  4.139286       2.484435  177.4947 61.72589 126.5096 38.39036 50.98508       72.69048 
1 1 1 30  20 4  o 259.1202 21.89338 16.31421       2.643620  17.49703       7.504282  16.14662       2.824700  241.6102 64.72479 257.1097 23.61934 -15.49951      68.89973 
1 1 1 30  20 5  o 327.6461 21.60383 26.00350       3.311015  0.000000       0.000000  26.00350       3.311015  ?        ?        327.6461 21.60383 0.000000       21.60383 
1 1 1 30  20 6  o 112.7484 40.07669 2.978476       2.671256  7.342450       6.910487  2.211853       2.896399  167.0099 63.55347 106.3625 40.98037 60.64736       75.62033 
1 1 1 30  20 7  o 92.91386 38.15990 1.044203       2.674105  4.090369       6.373924  0.3935103      2.945901  144.5087 59.08146 91.03574 38.87682 53.47301       70.72501 
1 1 1 30  20 8  o 190.6471 34.59734 9.364451       2.988449  5.710464       6.691661  10.27478       3.340029  155.3584 61.56658 198.7023 37.09808 -43.34396      71.87984 
1 1 1 30  20 9  o 271.6350 25.83998 18.18380       3.261992  15.62426       6.783645  18.95365       3.720351  228.7354 61.64975 275.7144 29.12589 -46.97900      68.18365 
1 1 1 30  20 10 o 301.3187 28.25084 22.56525       3.957551  25.76397       7.477554  21.32060       4.664387  301.9743 54.65253 288.7539 35.05884 13.22040       64.93089 
1 1 1 30  20 11 o 343.1130 21.61070 28.61746       3.470169  33.47206       8.013919  27.49714       3.849817  348.1874 50.39409 334.6942 24.62541 13.49316       56.08899 
1 1 1 30  20 12 o 145.8715 40.54192 5.740565       2.882085  2.905173       6.120854  6.548288       3.266907  133.9413 56.57076 154.7327 43.22034 -20.79138      71.19163 
1 1 1 30  20 13 f 108.0316 39.78826 2.677084       2.662267  3.577973       3.582072  1.565373       3.979191  122.7762 45.96983 109.5110 45.89763 13.26527       64.96012 
1 1 1 30  20 14 o 180.2533 33.59357 8.488841       2.743653  8.043597       3.806967  8.970026       3.957639  168.6352 46.49167 178.0094 46.68592 -9.374191      65.88665 
1 1 1 30  20 15 o 125.9718 42.70961 4.213499       3.016526  2.536861       4.944027  5.207794       3.807317  122.0440 51.15586 137.8844 47.93926 -15.84042      70.10773 
1 1 1 30  20 16 o 159.4261 48.22140 7.406198       3.924472  0.000000       0.000000  7.406198       3.924472  ?        ?        159.4261 48.22140 0.000000       48.22140 
1 1 1 30  22 0  o 229.6139 22.66838 12.92067       2.416470  2.156362       6.100647  14.92383       2.631727  130.3666 55.81650 246.8035 22.93050 -116.4369      60.34310 
1 1 1 30  22 1  o 146.6975 33.14018 5.599823       2.232950  5.267539       6.014951  5.652936       2.404798  148.4257 58.51257 146.6682 35.28510 1.757492       68.32832 
1 1 1 30  22 2  o 216.0050 23.68463 11.47923       2.367104  13.89715       6.688504  11.13302       2.530902  213.6914 62.54748 211.7695 25.94933 1.921906       67.71673 
1 1 1 30  22 3  o 231.5111 25.21988 13.23989       2.702097  0.000000       0.000000  13.23989       2.702097  ?        ?        231.5111 25.21988 0.000000       25.21988 
1 1 1 30  22 4  o 228.6629 28.98750 13.11131       3.047988  0.000000       0.000000  13.11131       3.047988  ?        ?        228.6629 28.98750 0.000000       28.98750 
1 1 1 30  22 5  o 87.77647 36.24627 0.8682835      2.429270  5.597504       7.174227  0.2558210      2.581785  155.0255 62.94986 84.60720 36.26994 70.41831       72.65117 
1 1 1 30  22 6  o 148.9225 36.23978 5.853355       2.514640  10.75803       6.720773  5.054952       2.711599  188.3067 63.75068 137.7654 39.68274 50.54140       75.09240 
1 1 1 30  22 7  o 136.3967 39.11851 4.952748       2.640192  0.7755648      6.623229  5.741915       2.878806  127.1819 56.22831 146.1428 40.48381 -18.96087      69.28609 
1 1 1 30  22 8  o 169.8727 35.85238 7.588481       2.774899  10.96909       6.780676  6.908424       3.041224  188.7856 64.03356 160.0025 40.39933 28.78313       75.71263 
1 1 1 30  22 9  o 241.5907 31.20306 14.82823       3.463194  13.13912       6.518287  15.49257       4.087903  206.0841 62.10436 243.6535 36.81425 -37.56940      72.19585 
1 1 1 30  22 10 o 153.2146 37.39034 6.280090       2.671076  13.04400       5.994823  4.604651       2.983608  207.1237 58.79279 131.4214 42.40173 75.70236       72.48792 
1 1 1 30  22 11 o 145.3904 39.62558 5.738993       2.784177  12.81213       6.155899  3.920076       3.121705  203.2144 60.15404 123.6898 43.38590 79.52456       74.16768 
1 1 1 30  22 12 o 213.0160 29.75918 11.57179       2.900539  4.931630       6.234406  13.40614       3.276775  143.6747 58.55041 228.6246 31.28994 -84.94986      66.38683 
1 1 1 30  22 13 o 101.5995 39.06957 2.180951       2.628795  9.818669       5.983570  0.3541493      2.926336  176.5260 60.15082 88.78604 38.34315 87.73996       71.33245 
1 1 1 30  24 0  o 148.8324 35.37624 5.895728       2.440304  11.35256       5.917004  4.777334       2.678731  191.4912 59.45478 133.0654 39.74794 58.42581       71.51762 
1 1 1 30  24 1  o 227.1073 24.73944 12.80624       2.600204  13.72473       6.207527  12.61078       2.863528  210.7101 59.83228 223.8452 27.79277 -13.13516      65.97226 
1 1 1 30  24 2  f 392.7665 18.66818 37.20841       3.449100  0.000000       0.000000  37.20841       3.449100  ?        ?        392.7665 18.66818 0.000000       18.66818 
1 1 1 30  24 3  o 506.7302 17.08266 61.67771       4.071941  0.000000       0.000000  61.67771       4.071941  ?        ?        506.7302 17.08266 0.000000       17.08266 
1 1 1 30  24 4  o 420.3966 16.61654 42.40518       3.286013  37.54459       7.559426  43.53759       3.648775  372.6283 43.97364 425.1101 18.24636 -52.48181      47.60894 
1 1 1 30  24 5  o 72.99335 32.42518 -0.4681613     2.228212  -1.334126      5.644017  -0.3082708     2.425211  108.8005 49.65451 77.35729 34.12135 31.44324       60.24813 
1 1 1 30  24 6  o 78.66888 33.84530 0.1772654      2.262630  1.039834       5.624049  0.1069273E-01  2.471463  119.3843 52.33085 80.44190 34.98758 38.94235       62.94957 
1 1 1 30  24 7  o 67.54204 31.33542 -1.662696      2.380537  -0.3305589     5.849146  -1.927156      2.606142  114.4651 51.56140 69.82219 32.52518 44.64295       60.96281 
1 1 1 30  24 8  o 204.5853 33.19859 10.88410       3.085434  21.69739       6.668569  7.938704       3.480374  272.0639 54.01188 168.6159 43.56752 103.4480       69.39317 
1 1 1 30  24 9  o 49.58422 24.83626 -6.543366      2.467244  -0.8573128     6.052547  -7.676497      2.701922  113.1831 51.56361 50.50812 25.39166 62.67497       57.47644 
1 1 1 31  1  0  o 465.6257 24.34100 52.06842       5.312925  74.22712       8.694011  38.86117       6.712036  551.1815 33.69356 396.9297 36.35148 154.2517       49.56497 
1 1 1 31  1  1  o 726.7849 20.49928 125.8466       7.008320  107.2533       10.35557  141.5593       9.519641  664.1277 33.14766 767.6188 26.36365 -103.4911      42.35339 
1 1 1 31  1  2  o 276.6348 37.54544 19.07095       4.759537  24.48276       6.978386  14.36385       6.508189  308.0412 49.86301 230.6099 59.57299 77.43124       77.68694 
1 1 1 31  1  3  f 291.9906 37.00433 21.18674       4.968605  26.71819       7.249679  16.28716       6.823048  322.2278 49.40435 245.5770 59.65469 76.65083       77.45626 
1 1 1 31  1  4  o 93.36407 40.64165 -0.2884953     3.340283  -4.120095      6.188352  1.286813       3.967964  109.3062 50.64465 112.0831 46.30717 -2.776894      68.62387 
1 1 1 31  1  5  o 306.3172 24.16837 22.61400       3.454186  19.33906       4.934307  25.76112       4.837058  277.8242 38.81614 324.1856 32.14257 -46.36139      50.39680 
1 1 1 31  1  6  o 454.7660 18.63682 49.20281       3.986843  44.38633       5.471088  54.65644       5.821728  428.3504 27.29437 476.0456 26.09713 -47.69513      37.76298 
1 1 1 31  1  7  o 259.8654 27.88220 16.47836       3.355092  13.97623       4.734991  19.00137       4.754704  232.5563 44.90949 275.4102 37.68969 -42.85393      58.62913 
1 1 1 31  1  8  f 313.2360 23.72276 23.67040       3.469539  17.57649       4.761799  30.56676       5.065621  263.6005 39.62836 353.3185 30.78639 -89.71802      50.18176 
1 1 1 31  1  9  o 629.4550 17.43087 94.26301       5.161228  87.47230       7.206379  101.4147       7.395450  602.5025 25.42664 649.4730 24.20662 -46.97052      35.10661 
1 1 1 31  1  10 o 308.7664 25.05070 23.12586       3.607107  27.88079       5.268371  18.92991       4.949030  335.2021 33.87678 272.9070 39.71606 62.29504       52.20155 
1 1 1 31  1  11 o 245.0042 30.64041 14.87943       3.454104  15.78492       4.942393  14.01492       4.829254  246.0608 44.33032 230.6400 46.12342 15.42078       63.97302 
1 1 1 31  1  12 o 483.7169 20.24295 56.05585       4.606112  56.69549       6.723503  55.49015       6.322983  480.5099 29.89382 476.3661 28.34509 4.143860       41.19569 
1 1 1 31  1  13 o 142.1545 50.70135 4.971810       4.278815  8.008324       6.193283  2.198871       5.918389  172.5610 61.05667 132.6725 55.80888 39.88857       82.71970 
1 1 1 31  1  14 o 92.01644 42.87920 -3.213897      4.535959  0.1923900      7.250599  -5.404281      5.814246  132.2007 58.61994 98.39258 46.67645 33.80814       74.93323 
1 1 1 31  1  15 o 110.2554 43.38162 2.211893       3.300396  6.076176       4.724929  -1.469956      4.612048  152.3927 53.38086 100.4196 45.45849 51.97310       70.11413 
1 1 1 31  1  16 o 195.3107 39.53156 10.03044       3.507304  4.247910       4.795239  16.68254       5.143172  137.1665 52.76246 249.5583 45.48765 -112.3918      69.66350 
1 1 1 31  1  17 o 217.7327 36.41314 12.25626       3.597800  9.953643       4.860131  15.04790       5.351387  187.5345 52.83422 233.0644 50.28755 -45.52994      72.94033 
1 1 1 31  1  18 o 159.5863 50.31060 7.056682       4.219076  11.96492       7.813853  5.036840       5.012576  196.2567 68.65240 143.1972 54.21461 53.05946       87.47786 
1 1 1 31  1  19 o 79.09222 37.05017 -2.744858      3.459975  2.226662       5.014005  -7.264334      4.780621  122.9503 51.52522 80.11755 39.06370 42.83279       64.65927 
1 1 1 31  1  20 o 94.71970 42.81031 -1.058559      4.071661  -5.121651      4.924333  7.722950       7.239418  87.81944 42.02152 165.1780 64.46729 -77.35860      76.95349 
1 1 1 31  1  21 o 85.32606 38.66512 -1.071908      3.346357  2.111082       4.868174  -3.923153      4.607503  119.3870 50.43877 87.88702 41.65140 31.50000       65.41337 
1 1 1 31  1  22 o 207.4385 40.44847 11.77025       3.805155  16.90250       6.922842  9.548470       4.554925  228.0066 62.62616 178.8661 51.40539 49.14047       81.02191 
1 1 1 31  1  23 o 225.6319 47.04261 14.75094       4.831226  9.464924       6.677944  20.55589       6.998062  168.6175 62.83850 253.0744 59.74295 -84.45685      86.70580 
1 1 1 31  1  24 o 104.7463 46.16531 0.8259449      4.430710  -2.084424      6.117586  4.036861       6.425703  105.3648 49.32811 132.9272 57.10838 -27.56248      75.46277 
1 1 1 31  1  25 o 94.63688 45.73694 -5.258622      6.186337  -5.258622      6.186337  0.000000       0.000000  94.63688 45.73694 ?        ?        0.000000       45.73694 
1 1 1 31  3  0  o 309.1778 30.00540 23.32921       4.308974  21.72117       6.442131  24.63108       5.796494  289.8227 48.99952 313.4088 40.24739 -23.58603      63.40982 
1 1 1 31  3  1  o 153.3090 48.65752 5.940979       3.941266  -0.1367717     6.288472  9.872845       5.057932  127.0179 55.51487 192.9800 53.73379 -65.96214      77.26073 
1 1 1 31  3  2  o 236.5864 31.87551 13.80567       3.457158  5.873960       6.709257  16.67297       4.033926  164.4314 62.60955 259.6500 33.83067 -95.21866      71.16509 
1 1 1 31  3  3  o 70.06293 33.70290 -4.605014      3.264171  -4.568966      5.897927  -4.620932      3.919106  104.5047 48.76424 79.76499 37.97887 24.73975       61.80894 
1 1 1 31  3  4  o 230.7540 35.40546 13.29020       3.720447  17.80618       7.158797  11.61913       4.354725  256.0793 60.40696 211.9291 45.06873 44.15018       75.36704 
1 1 1 31  3  5  o 216.3954 37.49251 11.80731       3.678205  7.146255       6.794750  13.73934       4.374598  172.9298 63.58363 232.1905 41.57891 -59.26077      75.97160 
1 1 1 31  3  6  o 172.1807 43.03223 7.684800       3.475683  14.16766       6.740170  5.336478       4.056639  227.0693 61.55748 147.1802 49.53032 79.88905       79.00997 
1 1 1 31  3  7  o 166.3437 52.06165 7.201625       4.526748  4.402497       6.934037  9.280618       5.975872  155.3555 62.30473 186.4824 59.99204 -31.12695      86.49233 
1 1 1 31  3  8  o 477.4059 19.09897 54.32766       4.289110  54.18112       6.068774  54.47390       6.062665  472.7234 27.40896 474.0563 27.30264 -1.332855      38.68702 
1 1 1 31  3  9  o 104.2873 41.88940 1.552506       3.139733  7.973033       4.527888  -4.393944      4.357518  173.2033 51.66336 86.11176 40.71991 87.09156       65.78156 
1 1 1 31  3  10 o 153.6450 42.44209 6.156347       3.169032  8.394636       4.557528  4.061082       4.409513  176.8941 51.58923 136.1728 51.00012 40.72127       72.54282 
1 1 1 31  3  11 o 201.6568 36.26892 10.36588       3.313966  11.57389       4.883366  9.334634       4.511950  206.8996 50.59598 185.8861 50.35312 21.01352       71.38200 
1 1 1 31  3  12 o 103.4773 43.02095 1.101496       3.455782  -0.2286861     5.743465  1.856338       4.326596  118.9026 52.47478 117.7928 48.47716 1.109856       71.43975 
1 1 1 31  3  13 o 210.5222 34.78410 11.27654       3.324368  7.939718       4.548113  15.10433       4.871234  170.6579 51.97728 238.9248 44.99273 -68.26695      68.74579 
1 1 1 31  3  14 o 214.1131 41.40376 12.03882       4.019320  10.18446       4.950072  15.62723       6.885980  191.1286 53.13628 231.3943 62.00652 -40.26569      81.65949 
1 1 1 31  3  15 f 284.9507 29.67170 20.18894       3.918904  22.70226       5.476710  17.55178       5.610028  295.8948 40.40310 254.4455 48.64371 41.44931       63.23465 
1 1 1 31  3  16 o 301.0345 28.15253 22.42961       3.940316  31.80782       5.677429  13.71434       5.473083  354.7564 34.45604 220.7452 53.30896 134.0112       63.47491 
1 1 1 31  3  17 f 127.0885 47.72706 3.703504       3.866802  8.612498       4.686700  -6.762783      6.843326  174.8851 52.65167 103.4038 49.49404 71.48125       72.26243 
1 1 1 31  3  18 o 268.7801 30.34870 18.14286       3.769931  15.24302       5.115085  21.59121       5.577905  235.5258 47.80166 285.0989 42.92248 -49.57306      64.24436 
1 1 1 31  3  19 o 220.5118 41.39660 13.01244       4.136335  3.944709       7.166552  17.54211       5.065175  145.2562 61.27369 255.1160 43.78408 -109.8598      75.30943 
1 1 1 31  3  20 o 105.9299 43.57341 1.691169       3.493392  3.510236       4.985926  -0.6294502E-01 4.896102  130.1073 52.60160 108.2213 48.07004 21.88602       71.25768 
1 1 1 31  3  21 o 101.1524 43.76984 0.6391711      3.828414  3.623663       6.765276  -0.7668025     4.643431  138.6793 59.06110 101.5273 45.81778 37.15200       74.74947 
1 1 1 31  3  22 o 170.2584 47.48672 8.425202       3.946762  6.973841       6.947720  9.116701       4.795677  155.4413 62.35663 173.2474 53.48195 -17.80611      82.15028 
1 1 1 31  3  23 o 327.6172 37.80272 28.88696       5.718925  35.58264       8.264497  22.73484       7.921936  345.2605 52.54383 258.9697 65.10130 86.29080       83.66022 
1 1 1 31  3  24 o 85.59934 40.30369 -2.682068      4.185489  -4.399525      5.823035  -0.8463140     6.020240  95.38436 45.65556 108.9356 50.28905 -13.55119      67.92216 
1 1 1 31  3  25 o 205.4913 62.34507 15.45184       6.552701  15.45184       6.552701  0.000000       0.000000  205.4913 62.34507 ?        ?        0.000000       62.34507 
1 1 1 31  5  0  o 275.8991 33.04251 18.79893       4.203058  25.70452       7.003563  14.91187       5.254469  315.2820 48.79916 238.9150 48.41211 76.36700       68.73929 
1 1 1 31  5  1  f 95.60984 40.49719 0.4122808      3.151184  8.956600       6.326869  -2.406546      3.633995  184.8530 61.85781 85.18220 39.23363 99.67085       73.25071 
1 1 1 31  5  2  o 113.1739 42.65141 2.507198       3.093369  -5.743164      6.108323  5.352891       3.587398  102.5609 48.41063 145.8848 46.43461 -43.32382      67.08026 
1 1 1 31  5  3  o 373.2263 21.93179 33.40225       3.833565  38.73365       8.005544  31.81594       4.366797  391.1104 44.29424 362.9140 25.74648 28.19644       51.23340 
1 1 1 31  5  4  o 157.5194 39.98055 6.381380       2.967530  9.110209       4.465789  4.223650       3.971079  185.7337 50.00415 136.0880 48.81148 49.64561       69.87830 
1 1 1 31  5  5  o 339.7029 25.28993 27.88839       4.012306  30.82640       7.675627  26.78373       4.706537  345.5973 48.55373 330.8345 30.58904 14.76282       57.38601 
1 1 1 31  5  6  o 314.0134 26.46996 23.92894       3.873489  16.94709       7.040786  26.95928       4.638544  248.1020 60.80239 332.0122 30.02500 -83.91025      67.81173 
1 1 1 31  5  7  o 278.9775 29.92934 19.10610       3.866317  13.65636       7.176136  21.33505       4.589371  220.6314 64.84699 293.3014 33.88747 -72.66995      73.16756 
1 1 1 31  5  8  o 219.6891 32.01523 12.01495       3.211272  15.77028       4.714576  8.764758       4.386050  247.9104 41.92231 181.3617 49.86233 66.54871       65.14394 
1 1 1 31  5  9  o 120.8570 41.91974 3.434248       2.910381  3.911722       4.235006  3.006951       4.006311  133.8887 50.01294 124.6215 48.14605 9.267227       69.42143 
1 1 1 31  5  10 o 204.3114 34.63585 10.55980       3.209893  10.80637       4.833643  10.36528       4.293208  199.7692 51.20092 197.3162 46.93708 2.452972       69.45951 
1 1 1 31  5  11 o 165.8047 44.51485 7.289573       3.544964  10.84126       5.871226  5.251946       4.447068  196.7280 58.86406 145.9006 51.72570 50.82745       78.36151 
1 1 1 31  5  12 o 378.5306 21.31558 34.53287       3.780039  32.73329       5.481568  36.16456       5.219610  362.8177 32.46086 383.4480 29.15600 -20.63022      43.63233 
1 1 1 31  5  13 o 255.7941 28.22848 16.17293       3.340041  16.38923       4.655992  15.94361       4.794098  251.2576 40.79244 246.5758 42.88949 4.681870       59.19064 
1 1 1 31  5  14 o 123.7549 43.07923 3.728280       3.074934  4.036792       4.178149  3.363727       4.541802  132.6792 49.65345 129.4998 50.91064 3.179413       71.11510 
1 1 1 31  5  15 o 113.1450 45.68209 2.077568       3.754967  2.551184       4.633850  1.171819       6.408145  123.9373 50.48930 129.5619 56.34504 -5.624565      75.65668 
1 1 1 31  5  16 o 274.9081 33.23927 19.10560       4.211114  19.77888       5.030905  17.52973       7.696762  275.6997 39.95635 239.9497 66.08657 35.74998       77.22658 
1 1 1 31  5  17 o 160.4807 43.33365 6.967192       3.347920  6.974314       4.419190  6.957598       5.129069  159.0945 51.63194 159.4860 55.63092 -0.3915253     75.89899 
1 1 1 31  5  18 o 274.1617 28.29748 18.73249       3.596938  16.11266       4.813775  22.04437       5.412354  245.2034 43.31817 289.3687 40.90162 -44.16531      59.57689 
1 1 1 31  5  19 o 285.4207 28.65571 20.38399       3.795441  26.61830       5.362228  14.12480       5.372916  321.1264 36.12484 221.9919 52.31009 99.13452       63.57161 
1 1 1 31  5  20 o 245.6539 46.14672 16.70151       5.136734  0.000000       0.000000  16.70151       5.136734  ?        ?        245.6539 46.14672 0.000000       46.14672 
1 1 1 31  5  21 o 137.7626 47.14614 5.210117       3.676105  10.70452       6.302615  2.377144       4.525659  183.3118 61.73717 118.2283 49.19941 65.08344       78.94340 
1 1 1 31  5  22 o 196.7920 41.85357 10.77247       3.755247  13.73365       6.918994  9.535949       4.471076  201.2715 64.53205 178.4834 50.81270 22.78813       82.13596 
1 1 1 31  5  23 o 234.0368 37.29322 14.83960       3.967872  14.00119       6.902322  15.25342       4.849209  199.5018 64.50577 229.2345 46.55875 -29.73270      79.55320 
1 1 1 31  5  24 o 140.3556 57.35782 5.763972       6.004074  5.763972       6.004074  0.000000       0.000000  140.3556 57.35782 ?        ?        0.000000       57.35782 
1 1 1 31  5  25 o 149.5191 58.05255 7.714032       5.846987  7.714032       5.846987  0.000000       0.000000  149.5191 58.05255 ?        ?        0.000000       58.05255 
1 1 1 31  7  0  o 173.5133 38.71906 7.734388       3.080090  9.684899       6.346150  7.133335       3.522836  189.5617 61.89047 165.3201 44.37188 24.24158       76.15310 
1 1 1 31  7  1  o 402.2060 21.14681 38.76880       3.986901  47.20571       8.324269  36.25732       4.541703  433.1171 41.36023 387.4711 25.05193 45.64597       48.35564 
1 1 1 31  7  2  o 238.2006 30.82584 14.00749       3.373016  16.93817       6.841029  13.06619       3.877043  248.6774 59.31281 227.4046 37.55467 21.27278       70.20229 
1 1 1 31  7  3  o 390.3899 21.57899 36.55857       3.947387  49.31630       8.522726  33.07441       4.453910  442.7220 41.40479 369.7176 25.77072 73.00436       48.76973 
1 1 1 31  7  4  o 357.7520 23.28745 30.82504       3.897627  32.66945       7.805150  30.21231       4.498693  355.6298 47.87289 352.6129 27.33545 3.016937       55.12749 
1 1 1 31  7  5  o 207.4541 32.62643 10.74726       3.078787  6.643080       4.423203  14.60449       4.288065  160.3027 51.61782 239.7030 39.39853 -79.40030      64.93569 
1 1 1 31  7  6  o 284.2621 28.30933 19.76554       3.735098  17.08383       7.169570  20.76449       4.375814  247.5208 61.77293 289.6197 32.69104 -42.09889      69.88991 
1 1 1 31  7  7  o 316.2914 27.14019 24.38040       3.998915  7.868609       7.111747  32.01495       4.835826  176.5414 65.02904 362.0585 28.62723 -185.5170      71.05135 
1 1 1 31  7  8  o 455.2871 22.15610 49.74503       4.745129  46.40310       9.093146  50.99563       5.562571  423.8724 46.36058 458.6449 25.88858 -34.77246      53.09917 
1 1 1 31  7  9  o 407.4401 20.14574 39.73041       3.861147  35.90932       5.443981  43.59819       5.477141  382.0302 30.54905 422.7710 27.69403 -40.74081      41.23352 
1 1 1 31  7  10 o 207.2866 36.93612 10.99134       3.469523  14.10523       5.522180  8.960452       4.459654  227.2459 52.68488 181.8067 50.39661 45.43919       72.90759 
1 1 1 31  7  11 o 208.4817 33.51343 10.99070       3.175323  14.99449       4.555029  7.205739       4.428802  240.0277 41.86475 163.7716 51.53429 76.25606       66.39608 
1 1 1 31  7  12 o 198.9960 33.44411 10.05101       3.019590  13.03376       4.384159  7.359076       4.164959  222.2115 43.49921 164.9390 49.62941 57.27245       65.99439 
1 1 1 31  7  13 o 492.3628 18.68286 58.04909       4.327110  64.34750       6.222705  52.15202       6.021184  513.6627 25.83569 460.9370 27.90115 52.72571       38.02574 
1 1 1 31  7  14 o 221.0485 33.22346 12.38935       3.347771  10.77572       4.648308  14.12842       4.825594  197.6102 49.97337 229.1468 46.36008 -31.53659      68.16593 
1 1 1 31  7  15 o 104.9642 43.02808 1.497190       3.391965  0.7732014      4.024477  3.272890       6.302725  106.3636 45.43164 139.6850 58.08895 -33.32142      73.74523 
1 1 1 31  7  16 o 131.2910 46.26766 4.301368       3.552948  3.576399       4.256848  5.966112       6.450627  128.4901 49.63199 156.0725 60.87038 -27.58240      78.54004 
1 1 1 31  7  17 o 217.9281 33.95787 12.16988       3.367725  12.43362       4.634958  11.87493       4.901582  212.5223 47.55150 205.4626 50.96217 7.059738       69.70142 
1 1 1 31  7  18 o 374.4073 23.26609 34.24020       4.077397  30.26702       5.534397  38.95692       6.030055  344.2947 34.64238 392.3282 32.97998 -48.03342      47.83067 
1 1 1 31  7  19 o 332.1431 37.00333 28.65409       5.683154  0.000000       0.000000  28.65409       5.683154  ?        ?        332.1431 37.00333 0.000000       37.00333 
1 1 1 31  7  20 o 323.8869 28.94119 26.39520       4.362954  19.67896       6.698095  31.34489       5.750125  256.4756 56.99723 347.4649 35.68701 -90.98923      67.24765 
1 1 1 31  7  21 o 168.0346 52.90528 8.452210       4.666852  0.000000       0.000000  8.452210       4.666852  ?        ?        168.0346 52.90528 0.000000       52.90528 
1 1 1 31  7  22 o 113.1720 45.08203 2.752555       3.605208  12.20868       7.006229  -0.6530192     4.204583  187.9176 65.04867 96.28005 43.51061 91.63757       78.25920 
1 1 1 31  7  23 o 97.79676 43.30615 0.2871066      3.944174  -3.923900      5.706844  4.137931       5.457326  96.36888 45.86943 130.6449 54.16814 -34.27605      70.98022 
1 1 1 31  7  24 o 181.7992 48.98130 10.26047       4.283074  9.105232       6.313347  11.24554       5.829865  160.6388 60.83751 178.9739 59.36266 -18.33510      85.00076 
1 1 1 31  7  25 o 136.3200 56.58116 5.820452       5.963435  5.820452       5.963435  0.000000       0.000000  136.3200 56.58116 ?        ?        0.000000       56.58116 
1 1 1 31  9  0  o 97.36903 40.01451 1.039187       2.942624  -5.026754      6.280025  2.745677       3.330919  105.7356 49.65353 116.7982 44.20060 -11.06263      66.47681 
1 1 1 31  9  1  o 243.1562 29.55641 14.58103       3.311177  14.46195       6.878069  14.61695       3.777747  226.5708 62.50233 241.6355 34.18997 -15.06477      71.24251 
1 1 1 31  9  2  o 363.9808 26.28940 32.17259       4.470920  0.000000       0.000000  32.17259       4.470920  ?        ?        363.9808 26.28940 0.000000       26.28940 
1 1 1 31  9  3  o 123.4094 47.75733 2.909306       3.946974  -8.198574      6.541023  9.269772       4.949651  98.99123 47.64056 185.2272 53.68918 -86.23595      71.77848 
1 1 1 31  9  4  o 309.8443 25.74100 23.33142       3.717821  12.89536       7.291205  26.99820       4.321887  213.0135 65.97597 332.5481 27.88545 -119.5346      71.62700 
1 1 1 31  9  5  o 156.1638 43.84353 6.382611       3.352845  7.916172       6.895562  5.907785       3.836955  175.7871 64.14125 151.1610 48.01287 24.62605       80.12076 
1 1 1 31  9  6  o 112.3247 41.00160 2.735067       2.818118  3.899284       4.113894  1.705718       3.868278  132.7731 49.35236 112.8577 46.07058 19.91547       67.51411 
1 1 1 31  9  7  f 380.1054 24.40478 34.99072       4.340571  40.21998       8.708012  33.26192       5.006920  392.1928 48.21641 368.3148 29.13683 23.87802       56.33628 
1 1 1 31  9  8  o 508.5485 21.50876 62.08985       5.145375  53.71582       9.651648  65.41473       6.081666  455.4346 45.66631 520.2191 24.85233 -64.78442      51.99086 
1 1 1 31  9  9  o 459.7360 26.06252 51.42785       5.613117  0.000000       0.000000  51.42785       5.613117  ?        ?        459.7360 26.06252 0.000000       26.06252 
1 1 1 31  9  10 o 182.0539 35.98954 8.523260       2.972854  2.053811       4.165250  15.24082       4.244369  117.4699 47.86308 243.7866 38.27180 -126.3167      61.28299 
1 1 1 31  9  11 o 73.75677 34.15260 -2.007925      2.807865  -3.453919      3.830171  -0.3279671     4.128423  82.04247 38.60661 101.3479 44.62008 -19.30541      59.00357 
1 1 1 31  9  12 o 340.5497 22.44378 28.09781       3.575233  30.02083       5.095343  26.23285       5.017836  347.2502 31.53723 323.3148 33.47807 23.93549       45.99324 
1 1 1 31  9  13 o 155.2746 41.02002 6.395869       3.040956  9.542953       4.336598  3.351261       4.265409  186.5096 48.84821 127.4690 49.55775 59.04063       69.58533 
1 1 1 31  9  14 o 122.1756 45.93726 3.295615       3.584321  5.990248       4.373399  -2.217598      6.255639  150.6179 51.42411 113.5302 51.98803 37.08773       73.12451 
1 1 1 31  9  15 o 156.4711 40.56782 6.521248       3.010857  8.092234       4.237550  4.919575       4.278738  171.0279 49.70710 140.1780 50.62022 30.84988       70.94507 
1 1 1 31  9  16 o 128.4266 43.05477 4.220195       3.065139  0.1938172      4.128706  9.164313       4.575106  103.4033 45.09374 180.4462 51.41050 -77.04295      68.38483 
1 1 1 31  9  17 o 133.9752 46.37231 4.632470       3.560577  5.511467       4.348133  2.843342       6.203400  144.6194 51.16041 134.9767 56.97638 9.642670       76.57478 
1 1 1 31  9  18 f 224.6682 33.91790 13.00315       3.472976  17.37800       4.887008  8.539371       4.936424  254.7083 42.26976 171.6716 54.45184 83.03674       68.93283 
1 1 1 31  9  19 o 179.7372 42.34034 8.863923       3.520902  6.548752       5.328288  10.65839       4.690988  153.3158 56.31570 191.8310 51.07679 -38.51521      76.02826 
1 1 1 31  9  20 o 118.6807 44.72992 3.356246       3.402330  7.601071       5.336740  0.4495540      4.416168  160.1686 56.67690 105.5435 46.31527 54.62512       73.19408 
1 1 1 31  9  21 o 68.06942 33.74145 -8.209114      4.079086  0.000000       0.000000  -8.209114      4.079086  ?        ?        68.06942 33.74145 0.000000       33.74145 
1 1 1 31  9  22 o 91.05809 41.20773 -0.7205857     3.786407  -3.424495      5.457496  1.788942       5.257670  96.38154 45.57446 117.1033 50.98223 -20.72180      68.38289 
1 1 1 31  9  23 o 195.5072 47.62987 11.50498       4.340004  15.87693       6.583670  8.145066       5.771581  213.4565 61.93442 156.7462 58.41785 56.71033       85.13823 
1 1 1 31  9  24 o 158.1862 49.99602 8.005323       4.164435  12.76159       6.192586  4.078478       5.626789  186.7365 61.14529 127.2870 54.02600 59.44953       81.59385 
1 1 1 31  11 0  o 427.0204 19.03332 43.59732       3.823247  44.20333       8.064380  43.42162       4.342250  415.6596 41.81161 424.5571 21.81621 -8.897522      47.16098 
1 1 1 31  11 1  o 330.4789 22.78984 26.40346       3.521209  13.91796       6.770486  31.03276       4.122634  220.5136 62.44138 357.5955 24.65902 -137.0819      67.13414 
1 1 1 31  11 2  o 114.2346 42.44112 2.768784       3.041642  8.935791       6.540277  1.066862       3.435807  181.2319 62.84193 103.1299 42.88814 78.10197       76.08220 
1 1 1 31  11 3  o 91.46043 39.62131 -0.2801982E-01 3.144287  9.910821       7.047079  -2.498449      3.513399  188.9344 65.24726 82.26436 38.13118 106.6701       75.57243 
1 1 1 31  11 4  o 179.4708 39.68988 8.384287       3.261823  6.890607       7.070267  8.788158       3.676447  168.1879 64.21634 182.4002 43.46558 -14.21237      77.54350 
1 1 1 31  11 5  o 305.2118 25.85631 22.72203       3.677358  21.05827       7.544941  23.24040       4.211444  273.6091 60.25114 307.0626 29.52028 -33.45352      67.09431 
1 1 1 31  11 6  o 484.9759 20.25699 56.37131       4.621303  56.92628       9.814421  56.21321       5.238365  468.8641 45.05354 482.9654 23.05740 -14.10126      50.61092 
1 1 1 31  11 7  o 344.5711 20.94562 28.60233       3.378907  24.18160       4.804098  32.93007       4.753299  311.0744 33.35067 366.6171 27.76823 -55.54272      43.39749 
1 1 1 31  11 8  o 252.5770 37.01873 16.26125       4.267756  0.000000       0.000000  16.26125       4.267756  ?        ?        252.5770 37.01873 0.000000       37.01873 
1 1 1 31  11 9  o 123.8141 48.24266 3.023305       4.048854  0.000000       0.000000  3.023305       4.048854  ?        ?        123.8141 48.24266 0.000000       48.24266 
1 1 1 31  11 10 o 331.7775 35.29994 27.77164       5.424602  27.27705       8.215267  28.15399       7.223216  311.9757 58.11826 324.6120 48.81497 -12.63629      75.89883 
1 1 1 31  11 11 o 142.7835 41.45883 5.365359       2.949148  3.326631       4.083469  7.588153       4.263824  126.2085 48.64984 166.7783 50.22223 -40.56980      69.92195 
1 1 1 31  11 12 o 149.1569 41.63116 5.897482       3.032289  2.224437       4.294483  9.549461       4.282151  119.1699 48.58284 186.8186 48.35302 -67.64873      68.54419 
1 1 1 31  11 13 o 207.6512 37.48460 11.17596       3.526748  8.151796       4.195950  18.45422       6.509413  172.1893 49.29503 255.8584 55.66752 -83.66913      74.35639 
1 1 1 31  11 14 o 175.2195 38.67658 8.084195       3.102532  11.23629       4.419439  5.021203       4.356524  202.7939 47.21096 141.4341 51.07759 61.35986       69.55426 
1 1 1 31  11 15 f 482.5400 19.57155 56.00507       4.442504  56.98619       6.284564  55.02514       6.280738  480.5804 27.92001 471.8092 28.43207 8.771210       39.84858 
1 1 1 31  11 16 o 324.4325 24.41600 25.80353       3.698897  27.17344       5.079857  24.25748       5.396557  327.3248 33.46208 305.7066 38.37237 21.61816       50.91316 
1 1 1 31  11 17 o 233.8375 36.16172 14.21020       3.849345  9.960119       4.509572  25.62129       7.389254  187.2052 50.18486 299.5699 54.44180 -112.3647      74.04343 
1 1 1 31  11 18 o 81.56009 37.33955 -1.518090      3.224458  -0.8739596     4.794011  -2.050222      4.357345  103.2134 46.56892 93.09410 42.90854 10.11926       63.32304 
1 1 1 31  11 19 o 203.2588 38.35435 11.06458       3.532735  8.350179       5.507951  12.96163       4.604613  166.6655 57.67644 214.2292 46.98562 -47.56377      74.39233 
1 1 1 31  11 20 o 200.4335 39.25110 10.92331       3.568342  6.994650       5.481085  13.81332       4.701043  154.0712 57.02580 220.0539 46.85157 -65.98276      73.80388 
1 1 1 31  11 21 o 113.6392 45.90251 2.685293       3.793159  1.044293       5.078289  4.756243       5.704897  112.4299 49.49365 137.0781 55.95211 -24.64816      74.70113 
1 1 1 31  11 23 o 196.8151 47.05758 11.74045       4.297734  15.82640       6.217719  8.002378       5.947135  214.1206 59.56126 153.4632 58.82347 60.65741       83.71227 
1 1 1 31  13 0  o 282.4180 22.50616 19.35559       2.965122  10.70749       7.240835  21.09797       3.250125  192.2818 66.15325 294.4599 23.66399 -102.1781      70.25836 
1 1 1 31  13 1  o 483.8475 17.52160 55.91109       3.987968  55.91558       8.912835  55.90997       4.459251  466.9420 40.99217 482.9085 19.63034 -15.96655      45.45006 
1 1 1 31  13 2  f 144.5461 41.31491 5.487134       2.949800  -4.756243      6.350694  8.305057       3.330920  106.0788 49.85230 177.6178 40.73413 -71.53909      64.37796 
1 1 1 31  13 3  o 132.4829 42.84988 4.478610       3.045588  9.881095       6.811488  3.128656       3.404903  186.8085 64.16818 120.0194 44.84195 66.78913       78.28382 
1 1 1 31  13 4  o 305.8027 24.12721 22.75509       3.442513  23.40369       7.440384  22.57843       3.883151  290.1982 56.53692 303.0959 27.53592 -12.89771      62.88601 
1 1 1 31  13 5  o 372.0318 21.92930 33.43754       3.820757  37.84186       8.223041  32.22489       4.314805  378.8035 47.16938 363.5747 25.38826 15.22879       53.56784 
1 1 1 31  13 6  o 446.5320 23.21735 48.28006       4.859974  0.000000       0.000000  48.28006       4.859974  ?        ?        446.5320 23.21735 0.000000       23.21735 
1 1 1 31  13 7  o 250.8258 33.17220 15.83924       3.817926  0.000000       0.000000  15.83924       3.817926  ?        ?        250.8258 33.17220 0.000000       33.17220 
1 1 1 31  13 8  o 443.0459 18.96043 47.01506       3.951539  56.77132       6.037694  39.70473       5.226344  481.9171 26.73851 402.1631 27.79712 79.75400       38.56977 
1 1 1 31  13 9  o 530.7091 18.19384 67.37711       4.542032  65.56864       6.714570  68.90270       6.167102  517.1939 27.69973 532.9893 24.59763 -15.79535      37.04482 
1 1 1 31  13 10 o 279.8912 30.55843 19.51742       3.957991  19.54519       8.659219  19.51009       4.450064  252.1165 70.34541 277.5749 34.84958 -25.45840      78.50459 
1 1 1 31  13 11 o 175.6151 44.72282 8.313754       3.704522  9.265756       7.762722  8.033010       4.215508  181.8291 67.75265 171.1143 49.53319 10.71477       83.92829 
1 1 1 31  13 12 o 300.7549 28.12715 22.36511       3.933104  22.38573       4.775583  22.32164       6.934354  297.1509 34.82532 283.3119 54.00358 13.83905       64.25877 
1 1 1 31  13 13 o 184.2515 36.97414 8.851396       3.093214  12.20509       4.502087  5.852737       4.257115  211.9145 46.44514 148.6704 50.73596 63.24417       68.78436 
1 1 1 31  13 14 o 155.8997 40.85893 6.506854       3.032734  3.367465       4.120295  10.21853       4.480132  125.6812 48.75055 191.4819 49.40843 -65.80061      69.41044 
1 1 1 31  13 15 o 281.8969 25.54535 19.59222       3.350644  23.89010       4.905251  15.83277       4.587721  305.8589 34.70797 244.3192 41.39626 61.53976       54.02124 
1 1 1 31  13 16 o 128.1419 55.62237 1.651903       6.221387  0.000000       0.000000  1.651903       6.221387  ?        ?        128.1419 55.62237 0.000000       55.62237 
1 1 1 31  13 17 o 155.5032 49.21290 6.816025       4.033971  8.296671       5.396296  4.940547       6.073321  167.9189 57.12323 144.6024 58.19756 23.31645       81.54765 
1 1 1 31  13 18 o 272.3384 36.87180 19.49625       4.602143  15.75803       5.985512  24.90191       7.197679  228.9901 56.02588 291.6964 54.45848 -62.70631      78.13210 
1 1 1 31  13 19 o 94.38317 40.63025 0.6044210      3.264690  2.840072       5.127524  -0.9197623     4.233742  124.3822 52.11423 95.94782 43.48337 28.43439       67.87265 
1 1 1 31  13 20 o 96.93030 41.05782 1.083154       3.239201  0.6156362      5.359126  1.352269       4.065974  112.5697 50.13020 106.4101 45.56382 6.159554       67.74288 
1 1 1 31  13 21 o 208.7080 43.60991 12.47838       4.143494  13.90309       5.813846  11.00773       5.906830  206.1055 57.68773 180.4658 59.74823 25.63974       83.05254 
1 1 1 31  13 22 o 87.79018 39.68775 -0.5246243     3.501743  -1.944114      5.012024  0.8290726      4.894493  96.11649 44.88460 107.4350 47.87095 -11.31854      65.62206 
1 1 1 31  15 0  o 151.8315 36.09984 6.019853       2.540551  -1.611475      6.367721  7.464577       2.770617  116.8526 53.10133 169.4914 35.86914 -52.63874      64.08077 
1 1 1 31  15 1  o 227.2298 24.78810 12.68016       2.606601  16.39417       7.010840  12.08441       2.807886  235.9483 62.26080 220.6421 27.66136 15.30621       68.12898 
1 1 1 31  15 2  o 71.46947 33.11533 -1.913048      2.646298  17.38110       6.782981  -5.377003      2.874048  245.6878 59.35502 60.31753 29.59403 185.3703       66.32364 
1 1 1 31  15 3  o 177.9774 36.72084 8.222813       2.972292  10.50535       6.952729  7.712379       3.287878  190.1806 64.83924 170.4154 41.41941 19.76520       76.93955 
1 1 1 31  15 4  o 138.1560 42.47974 4.989594       3.028940  7.850773       6.342531  4.144276       3.447466  170.3400 61.61252 129.9497 45.59281 40.39038       76.64729 
1 1 1 31  15 5  o 99.56392 42.26529 0.6679118      3.444473  0.000000       0.000000  0.6679118      3.444473  ?        ?        99.56392 42.26529 0.000000       42.26529 
1 1 1 31  15 6  o 96.16087 41.63720 0.1321346      3.468983  0.000000       0.000000  0.1321346      3.468983  ?        ?        96.16087 41.63720 0.000000       41.63720 
1 1 1 31  15 7  o 125.4200 43.76303 3.834484       3.174231  18.21641       7.406343  0.5983424      3.513250  249.0908 63.12833 99.86361 42.54640 149.2272       76.12741 
1 1 1 31  15 8  o 188.7856 38.44235 9.301589       3.297875  17.96968       7.447660  7.187427       3.678132  246.6584 63.73228 163.1651 45.96054 83.49336       78.57592 
1 1 1 31  15 9  o 181.5168 43.40733 8.825897       3.656340  9.334126       7.907899  8.687704       4.123586  182.3624 68.29805 178.1865 48.08288 4.175888       83.52596 
1 1 1 31  15 10 o 201.2039 47.34560 11.03931       4.406408  7.140310       7.316920  13.25803       5.519539  167.1491 64.92898 216.7194 54.26398 -49.57030      84.61886 
1 1 1 31  15 11 o 260.6046 41.68396 17.83784       4.937775  15.44293       7.788882  19.44709       6.384729  223.6958 67.99508 264.1184 53.22847 -40.42267      86.35162 
1 1 1 31  15 12 o 215.9542 38.53748 12.18559       3.771241  2.343341       7.715044  15.27565       4.322902  142.6552 61.93136 241.8497 39.35097 -99.19449      73.37569 
1 1 1 31  15 13 o 396.2711 20.02397 37.92664       3.720506  39.20867       5.319725  36.69917       5.205322  397.5847 28.63571 384.3373 29.00527 13.24738       40.75917 
1 1 1 31  15 14 o 248.0821 27.46222 15.33064       3.151039  17.23777       4.395901  13.31508       4.519138  257.4768 37.38744 221.1306 44.97605 36.34619       58.48645 
1 1 1 31  15 15 o 271.2115 36.76861 19.12727       4.569947  19.12727       4.569947  0.000000       0.000000  271.2115 36.76861 ?        ?        0.000000       36.76861 
1 1 1 31  15 16 o 233.1879 34.50896 14.10733       3.671053  15.67777       5.548555  12.88465       4.895805  233.2368 51.90909 212.3522 49.86301 20.88457       71.97829 
1 1 1 31  15 17 o 258.1237 32.33634 17.14170       3.840177  24.41439       6.326947  12.89976       4.832017  295.7924 47.04694 211.6371 49.43063 84.15526       68.24076 
1 1 1 31  15 18 o 163.2251 43.84075 7.542436       3.437552  19.36683       5.930763  1.560292       4.218419  257.9825 50.67896 109.8494 46.70663 148.1331       68.91927 
1 1 1 31  15 19 o 283.4750 35.87706 21.34750       4.677011  37.27705       6.901816  7.821047       6.359948  370.1430 40.28991 158.2123 60.78631 211.9307       72.92635 
1 1 1 31  15 20 o 129.0447 47.17271 4.624509       3.732188  2.175089       5.142105  7.351368       5.425511  117.7778 50.84542 152.8235 56.70182 -35.04578      76.16005 
1 1 1 31  17 0  o 199.3639 25.60337 9.839049       2.345628  4.078478       6.626459  10.66426       2.508013  145.5325 59.95521 207.4008 26.29768 -61.86830      65.46904 
1 1 1 31  17 1  o 344.1754 19.17157 28.52184       3.091573  24.18252       7.457114  29.42247       3.397286  292.7722 56.19001 348.8761 20.79546 -56.10391      59.91467 
1 1 1 31  17 2  o 116.3159 43.83961 2.920334       3.268272  -2.436980      6.048802  5.129235       3.884042  110.6291 50.82922 140.9915 48.45380 -30.36235      70.22379 
1 1 1 31  17 3  f 209.0123 36.04294 11.25291       3.415742  7.143282       6.754676  12.66489       3.959281  165.5182 62.86958 220.1039 39.70076 -54.58574      74.35546 
1 1 1 31  17 4  o 284.2008 28.22830 19.99294       3.723873  0.000000       0.000000  19.99294       3.723873  ?        ?        284.2008 28.22830 0.000000       28.22830 
1 1 1 31  17 5  o 90.65157 39.47255 -0.5320859E-01 3.152753  0.000000       0.000000  -0.5320859E-01 3.152753  ?        ?        90.65157 39.47255 0.000000       39.47255 
1 1 1 31  17 6  o 249.9847 28.21124 15.50692       3.259428  17.69025       7.644326  15.02178       3.603403  242.3622 65.49498 244.1434 32.15864 -1.781219      72.96417 
1 1 1 31  17 7  o 199.0471 36.69073 10.26305       3.308860  -0.8784187     6.882037  13.61295       3.773652  123.9824 55.88124 230.2650 36.01925 -106.2825      66.48383 
1 1 1 31  17 8  o 172.7792 39.28998 7.887807       3.121142  -2.881392      6.790692  10.77213       3.514343  115.4808 53.34548 203.2036 38.16726 -87.72283      65.59329 
1 1 1 31  17 9  o 60.09026 29.63300 -6.054088      3.003538  -3.804995      6.518419  -6.660317      3.384207  109.6639 51.20301 64.02499 31.55029 45.63889       60.14291 
1 1 1 31  17 10 o 135.1429 48.33861 4.577958       3.891958  4.812723       7.207234  4.481318       4.624143  151.8988 62.54674 137.5295 52.07098 14.36932       81.38477 
1 1 1 31  17 11 o 102.4587 39.61308 2.037447       2.713627  0.7835729      3.739858  3.431615       3.943534  102.8057 43.85085 124.8105 47.88623 -22.00480      64.93064 
1 1 1 31  17 12 o 192.3241 41.64182 9.948537       3.658162  -0.3840666     6.889562  14.00536       4.316978  124.3284 55.98613 229.1740 41.57584 -104.8457      69.73519 
1 1 1 31  17 13 o 181.0636 42.93801 8.948292       3.601698  9.720572       6.812548  8.648692       4.243196  179.2891 63.97220 174.7414 49.41525 4.547714       80.83508 
1 1 1 31  17 14 f 92.47527 39.03743 0.7634283      2.912285  -3.451242      3.832862  6.520213       4.479518  80.73817 38.18225 152.5397 52.04444 -71.80156      64.54849 
1 1 1 31  17 15 f 232.9421 32.90689 14.00251       3.505425  18.14804       5.322191  10.82623       4.658649  255.9077 45.89804 193.0446 50.66322 62.86308       68.36221 
1 1 1 31  17 16 o 124.7962 44.11977 4.064368       3.233217  -0.4396552     4.782434  7.855942       4.387917  104.0671 46.77414 163.4307 51.27458 -59.36365      69.40391 
1 1 1 31  17 17 o 206.6198 35.75167 11.36992       3.349076  9.363853       5.248134  12.74808       4.349928  173.3260 56.26724 212.1921 44.97644 -38.86612      72.03390 
1 1 1 31  17 18 o 118.1515 42.88933 3.623597       3.077421  -4.574911      4.896601  8.976084       3.956444  87.30089 41.80750 174.5412 47.09795 -87.24028      62.97686 
1 1 1 31  17 19 o 103.4207 43.32372 1.721738       3.542552  7.479192       4.879222  -4.696790      5.151730  154.1376 54.23053 88.74873 42.60162 65.38889       68.96266 
1 1 1 31  19 0  o 115.8542 34.65372 3.458238       2.035083  2.881094       5.913681  3.535769       2.167469  133.6213 55.97516 117.1869 35.91839 16.43434       66.50827 
1 1 1 31  19 1  o 258.5431 20.29891 16.20651       2.448893  19.42628       6.526638  15.67893       2.641917  261.3581 54.83588 253.4603 22.38866 7.897781       59.23028 
1 1 1 31  19 2  o 96.70624 35.92005 1.973666       2.178489  -4.343044      5.619145  3.091037       2.363326  98.86549 46.59498 111.9846 37.80446 -13.11915      60.00225 
1 1 1 31  19 3  o 94.45197 37.73382 1.412903       2.532620  0.000000       0.000000  1.412903       2.532620  ?        ?        94.45197 37.73382 0.000000       37.73382 
1 1 1 31  19 4  o 248.0600 24.00520 15.09229       2.766086  13.23127       7.678047  15.36985       2.965192  206.2959 68.11112 249.6552 25.61162 -43.35925      72.76730 
1 1 1 31  19 5  o 272.0577 24.01307 18.13108       3.041573  21.17420       7.239654  17.47882       3.351724  270.2681 58.63115 265.6024 27.21080 4.665680       64.63776 
1 1 1 31  19 6  o 97.19788 39.46521 1.359495       2.819538  -2.880797      6.768521  2.249794       3.101443  114.6477 53.06514 108.1775 42.20266 6.470261       67.80099 
1 1 1 31  19 7  o 381.2821 21.44750 35.25343       3.831111  44.20333       9.240145  33.39549       4.210029  402.3636 49.88932 369.4626 24.36066 32.90103       55.51924 
1 1 1 31  19 8  o 280.5776 25.97728 19.43538       3.389690  19.34007       7.616327  19.45892       3.785237  251.8957 64.11404 279.0025 29.27779 -27.10680      70.48262 
1 1 1 31  19 9  o 252.5300 36.41684 16.50863       4.200934  26.31094       7.773002  12.46414       4.992940  302.3422 56.73780 209.8150 51.06990 92.52716       76.33685 
1 1 1 31  19 10 o 264.5396 26.62969 17.37649       3.268753  21.58145       7.240036  16.29992       3.663372  270.6741 58.56387 253.6007 31.37839 17.07344       66.44043 
1 1 1 31  19 11 o 165.2827 39.03399 7.336357       2.986402  3.938764       6.580962  8.217466       3.351341  141.6746 59.17363 173.8705 41.54333 -32.19588      72.30053 
1 1 1 31  19 12 o 180.7317 41.95236 8.927945       3.497999  14.13793       6.593525  6.887219       4.126594  212.6089 62.06498 156.0127 49.81738 56.59627       79.58538 
1 1 1 31  19 13 o 260.6775 31.37401 17.35779       3.769927  13.64150       6.803884  19.00419       4.528656  205.9185 63.72554 269.1377 36.72954 -63.21919      73.55272 
1 1 1 31  19 14 o 75.50319 36.38521 -4.751772      3.847151  0.000000       0.000000  -4.751772      3.847151  ?        ?        75.50319 36.38521 0.000000       36.38521 
1 1 1 31  19 15 o 78.43965 35.75553 -1.161257      2.915517  -4.922711      4.658106  1.261381       3.738314  84.31985 40.48457 103.6016 44.00741 -19.28172      59.79676 
1 1 1 31  19 16 o 161.4211 41.15279 7.320264       3.134298  10.33294       5.028992  5.406763       4.007921  182.1161 54.47564 138.1994 49.09361 43.91664       73.33334 
1 1 1 31  21 0  o 186.6766 33.07381 9.017598       2.797999  0.000000       0.000000  9.017598       2.797999  ?        ?        186.6766 33.07381 0.000000       33.07381 
1 1 1 31  21 1  o 66.34927 30.48032 -1.308825      2.174074  1.033294       6.271411  -1.628738      2.317803  125.2081 55.06276 66.92587 31.00364 58.28221       63.19124 
1 1 1 31  21 2  o 226.0569 25.12066 12.66110       2.626095  0.000000       0.000000  12.66110       2.626095  ?        ?        226.0569 25.12066 0.000000       25.12066 
1 1 1 31  21 3  o 173.4518 30.94316 7.711114       2.432117  -0.2969976     6.538870  8.996876       2.620100  121.4941 54.64185 187.7574 30.72879 -66.26327      62.68963 
1 1 1 31  21 4  o 97.17787 37.54004 1.829740       2.435462  2.493758       6.626925  1.726050       2.618721  134.8253 57.96177 97.98495 38.61432 36.84030       69.64648 
1 1 1 31  21 5  o 133.6548 38.02384 4.751436       2.504585  6.397147       6.956048  4.506302       2.684644  157.5711 62.66737 130.3447 39.97846 27.22643       74.33354 
1 1 1 31  21 6  o 76.31020 34.35888 -0.8696025     2.593891  -7.033295      7.040433  0.9845382E-01  2.790161  103.1337 49.58352 85.98566 37.28653 17.14806       62.03878 
1 1 1 31  21 7  o 136.8402 40.06794 5.030937       2.744303  4.892985       7.247110  5.054030       2.965116  149.5676 62.25142 136.9722 42.01553 12.59549       75.10356 
1 1 1 31  21 8  o 193.1854 38.62451 9.956727       3.387320  7.357313       6.968371  10.76099       3.876079  162.3113 63.27644 198.5215 42.76897 -36.21016      76.37469 
1 1 1 31  21 9  o 84.02498 36.36420 0.1452971      2.643328  -3.531510      5.576899  1.210648       3.001952  99.77283 46.83354 96.96439 40.18689 2.808449       61.71196 
1 1 1 31  21 10 o 199.2278 32.42143 10.26926       2.933956  11.45660       6.537788  9.969838       3.283123  189.8091 62.85919 193.4491 37.43198 -3.639999      73.16031 
1 1 1 31  21 11 o 92.37795 37.94743 1.189154       2.645071  2.661118       5.761529  0.7960659      2.977380  128.0489 54.51813 92.93214 39.36386 35.11675       67.24388 
1 1 1 31  21 12 o 65.77898 31.23358 -2.699756      2.615011  -0.9203330     5.490258  -3.221892      2.974027  107.9769 49.16016 69.07272 32.94196 38.90417       59.17680 
1 1 1 31  21 13 o 85.84323 37.75685 -0.5241818E-01 2.949725  0.000000       0.000000  -0.5241818E-01 2.949725  ?        ?        85.84323 37.75685 0.000000       37.75685 
1 1 1 31  21 14 o 164.1098 49.11191 8.024305       4.086739  0.000000       0.000000  8.024305       4.086739  ?        ?        164.1098 49.11191 0.000000       49.11191 
1 1 1 31  23 0  o 80.15431 35.02209 -0.4661198E-01 2.501054  0.000000       0.000000  -0.4661198E-01 2.501054  ?        ?        80.15431 35.02209 0.000000       35.02209 
1 1 1 31  23 1  o 395.7057 18.88906 37.86327       3.516025  0.000000       0.000000  37.86327       3.516025  ?        ?        395.7057 18.88906 0.000000       18.88906 
1 1 1 31  23 2  o 174.5585 31.63555 7.908364       2.502028  5.808562       6.288614  8.303271       2.727175  149.0432 59.48755 177.8330 33.83732 -28.78983      68.43781 
1 1 1 31  23 3  o 156.1014 33.22926 6.412253       2.365163  -4.524376      6.103804  8.344494       2.565603  100.8249 47.82864 179.4922 31.53696 -78.66727      57.29013 
1 1 1 31  23 4  o 66.76044 30.72490 -1.330848      2.222795  -4.551130      5.983201  -0.8152311     2.394143  99.63623 47.29076 73.06663 32.94357 26.56960       57.63414 
1 1 1 31  23 5  o 176.2798 31.58554 8.060555       2.522949  16.72711       6.472950  6.508090       2.739616  232.8507 59.01870 155.0954 37.87783 77.75526       70.12800 
1 1 1 31  23 6  o 119.8943 38.30703 3.798004       2.439706  7.595126       5.619955  2.916241       2.708204  160.1189 57.98433 110.2574 40.20211 49.86147       70.55772 
1 1 1 31  23 7  f 132.2430 43.34829 4.760381       3.112052  0.000000       0.000000  4.760381       3.112052  ?        ?        132.2430 43.34829 0.000000       43.34829 
1 1 1 31  23 8  o 120.9603 42.84828 3.777499       3.050996  0.7378122      6.073494  4.803475       3.528522  119.7740 53.35056 132.9938 46.15568 -13.21985      70.54523 
1 1 1 31  23 9  o 291.5139 22.84674 20.98183       3.107866  26.77765       7.312780  19.70425       3.433356  301.0004 53.61255 280.2837 26.34998 20.71671       59.73798 
1 1 1 31  23 10 o 127.3777 40.04702 4.430302       2.675104  -2.140904      5.544339  6.424268       3.054120  102.7824 47.73232 151.3462 41.60742 -48.56374      63.32102 
1 1 1 31  25 0  o 86.47822 37.30399 0.4258545      2.763515  0.000000       0.000000  0.4258545      2.763515  ?        ?        86.47822 37.30399 0.000000       37.30399 
1 1 1 31  25 1  o 242.5737 25.12590 14.77614       2.825473  5.454816       5.853097  17.60824       3.226279  141.9977 57.13852 264.2066 26.30894 -122.2089      62.90445 
1 1 1 31  25 2  f 65.20567 30.66304 -2.069246      2.408995  -0.9360880E-01 5.379104  -2.564896      2.694288  109.4124 49.35080 67.36076 31.90236 42.05160       58.76446 
1 1 1 32  0  0  o 329.5181 38.83390 26.95070       5.800090  26.95070       5.800090  26.95070       5.800090  329.5181 38.83390 329.5181 38.83390 0.000000       0.000000 
1 1 1 32  0  1  o 118.8908 65.73543 4.871677       5.373703  4.871677       5.373703  4.871677       5.373703  118.8908 65.73543 118.8908 65.73543 0.000000       0.000000 
1 1 1 32  0  2  f 135.6435 59.62052 6.393017       3.981065  6.393017       3.981065  6.393017       3.981065  135.6435 59.62052 135.6435 59.62052 0.000000       0.000000 
1 1 1 32  0  3  o 299.2657 34.49647 22.14449       4.688560  22.14449       4.688560  22.14449       4.688560  299.2657 34.49647 299.2657 34.49647 0.000000       0.000000 
1 1 1 32  0  4  o 81.54009 51.01624 1.039039       4.028350  1.039039       4.028350  1.039039       4.028350  81.54009 51.01624 81.54009 51.01624 0.000000       0.000000 
1 1 1 32  0  5  o 471.6728 25.89103 53.20288       5.705032  53.20288       5.705032  53.20288       5.705032  471.6728 25.89103 471.6728 25.89103 0.000000       0.000000 
1 1 1 32  0  6  o 701.2601 23.92145 116.8758       7.870258  116.8758       7.870258  116.8758       7.870258  701.2601 23.92145 701.2601 23.92145 0.000000       0.000000 
1 1 1 32  0  7  f 375.3957 31.09678 34.22546       5.404593  34.22546       5.404593  34.22546       5.404593  375.3957 31.09678 375.3957 31.09678 0.000000       0.000000 
1 1 1 32  0  8  o 101.1108 57.04261 3.418332       4.146524  3.418332       4.146524  3.418332       4.146524  101.1108 57.04261 101.1108 57.04261 0.000000       0.000000 
1 1 1 32  0  9  o 262.3512 44.19181 17.89369       4.988925  17.89369       4.988925  17.89369       4.988925  262.3512 44.19181 262.3512 44.19181 0.000000       0.000000 
1 1 1 32  0  10 o 212.4333 55.50299 12.94579       4.792473  12.94579       4.792473  12.94579       4.792473  212.4333 55.50299 212.4333 55.50299 0.000000       0.000000 
1 1 1 32  0  11 f 127.2239 69.32142 5.954222       5.879355  5.954222       5.879355  5.954222       5.879355  127.2239 69.32142 127.2239 69.32142 0.000000       0.000000 
1 1 1 32  0  12 o 162.3421 61.16465 8.737961       4.371328  8.737961       4.371328  8.737961       4.371328  162.3421 61.16465 162.3421 61.16465 0.000000       0.000000 
1 1 1 32  0  13 f 63.83869 43.89619 -2.758079      4.309981  -2.758079      4.309981  -2.758079      4.309981  63.83869 43.89619 63.83869 43.89619 0.000000       0.000000 
1 1 1 32  0  14 o 79.11875 51.33652 0.1365712      4.551355  0.1365712      4.551355  0.1365712      4.551355  79.11875 51.33652 79.11875 51.33652 0.000000       0.000000 
1 1 1 32  0  15 o 67.50335 46.36086 -2.863473      4.773668  -2.863473      4.773668  -2.863473      4.773668  67.50335 46.36086 67.50335 46.36086 0.000000       0.000000 
1 1 1 32  0  16 o 69.01366 48.15606 -4.771106      5.693493  -4.771106      5.693493  -4.771106      5.693493  69.01366 48.15606 69.01366 48.15606 0.000000       0.000000 
1 1 1 32  0  17 o 116.1358 70.65627 4.158740       7.228943  4.158740       7.228943  4.158740       7.228943  116.1358 70.65627 116.1358 70.65627 0.000000       0.000000 
1 1 1 32  0  18 o 330.7856 36.49806 27.51588       5.502693  27.51588       5.502693  27.51588       5.502693  330.7856 36.49806 330.7856 36.49806 0.000000       0.000000 
1 1 1 32  0  19 o 90.03056 55.78778 1.963772       4.701891  1.963772       4.701891  1.963772       4.701891  90.03056 55.78778 90.03056 55.78778 0.000000       0.000000 
1 1 1 32  0  20 o 66.91663 45.69767 -2.140094      4.493790  -2.140094      4.493790  -2.140094      4.493790  66.91663 45.69767 66.91663 45.69767 0.000000       0.000000 
1 1 1 32  0  21 o 479.6772 42.60936 58.73960       9.439939  58.73960       9.439939  58.73960       9.439939  479.6772 42.60936 479.6772 42.60936 0.000000       0.000000 
1 1 1 32  0  22 o 410.4871 46.68810 44.35197       8.714003  44.35197       8.714003  44.35197       8.714003  410.4871 46.68810 410.4871 46.68810 0.000000       0.000000 
1 1 1 32  0  23 o 128.2211 71.11565 7.173009       6.311498  7.173009       6.311498  7.173009       6.311498  128.2211 71.11565 128.2211 71.11565 0.000000       0.000000 
1 1 1 32  0  24 o 92.03105 59.73863 1.618312       6.171371  1.618312       6.171371  1.618312       6.171371  92.03105 59.73863 92.03105 59.73863 0.000000       0.000000 
1 1 1 32  2  0  f 383.9971 24.52961 35.63088       4.407725  39.57096       6.320807  31.90130       6.149646  400.0330 33.90895 357.1595 37.14664 42.87354       50.29602 
1 1 1 32  2  1  o 358.6674 23.07491 30.99791       3.872489  26.12961       7.070116  33.08437       4.628524  316.2155 49.12494 369.0563 26.84518 -52.84082      55.98145 
1 1 1 32  2  2  o 347.8528 23.01035 29.15737       3.743933  31.30202       7.033298  28.30937       4.422597  350.1199 43.65268 340.8643 27.82477 9.255585       51.76653 
1 1 1 32  2  3  o 264.3414 25.78510 17.00260       3.165468  20.14582       4.585911  14.14206       4.374840  284.1827 35.04771 234.8816 41.09197 49.30113       54.00826 
1 1 1 32  2  4  o 104.6510 40.38739 1.972304       2.816787  4.958636       4.083011  -0.7397562     3.890999  142.7817 49.64445 97.19063 43.02670 45.59105       65.69527 
1 1 1 32  2  5  o 96.54607 39.38757 1.104972       2.825215  -2.937499      3.955820  5.313623       4.036310  86.71597 40.28684 145.8996 49.40455 -59.18367      63.74825 
1 1 1 32  2  6  o 293.3571 24.40763 20.86524       3.337577  20.66476       4.676406  21.07337       4.764932  287.3524 35.34109 290.0528 35.67493 -2.700348      50.21646 
1 1 1 32  2  7  o 109.3835 41.90844 2.278649       3.017773  5.737664       4.356667  -0.9117882     4.184112  150.5820 51.32606 99.52543 44.31004 51.05654       67.80667 
1 1 1 32  2  8  o 85.89854 37.90044 -0.5378588     2.994426  -1.664524      4.157148  0.6770520      4.316883  95.07185 43.08714 110.1737 47.05595 -15.10181      63.80254 
1 1 1 32  2  9  o 141.5145 43.24978 5.195288       3.145181  6.017625       4.618615  4.484178       4.294920  153.2016 52.82672 138.2935 50.59653 14.90808       73.14828 
1 1 1 32  2  10 o 667.9259 35.11681 111.4150       10.99475  0.000000       0.000000  111.4150       10.99475  ?        ?        667.9259 35.11681 0.000000       35.11681 
1 1 1 32  2  11 o 299.6041 26.92677 22.04202       3.754379  16.57843       5.255738  27.73500       5.364932  249.2778 46.53233 331.8328 34.89235 -82.55496      58.16128 
1 1 1 32  2  12 o 99.46030 42.08847 0.7375354      3.398565  1.812398       4.193913  -1.318371      5.800223  115.3340 47.62535 113.3043 51.16328 2.029732       69.89890 
1 1 1 32  2  13 o 275.7506 27.89066 18.81919       3.568056  16.24419       4.918375  21.67993       5.184089  247.2968 43.88722 289.6703 39.03942 -42.37349      58.73810 
1 1 1 32  2  14 o 127.3983 44.34405 4.042119       3.258115  3.752937       4.563156  4.342867       4.653514  131.7597 51.24929 136.8639 52.13559 -5.104248      73.10683 
1 1 1 32  2  15 o 138.8550 44.21344 5.103993       3.252174  6.799495       4.533390  3.306226       4.668105  157.4351 52.35363 128.7419 51.29435 28.69318       73.29402 
1 1 1 32  2  16 o 272.6841 33.62819 18.92950       4.222136  18.75167       5.032918  19.35196       7.757299  266.3259 41.52775 251.1151 65.12186 15.21088       77.23608 
1 1 1 32  2  17 o 275.6187 34.09868 19.43451       4.326622  14.04281       7.226594  22.44700       5.401746  211.4534 65.71436 291.9478 40.41735 -80.49445      77.14880 
1 1 1 32  2  18 o 155.6378 44.01715 6.673588       3.366614  3.149448       4.761063  10.19787       4.761158  126.6528 51.33279 187.7659 52.08084 -61.11310      73.12639 
1 1 1 32  2  19 o 109.5278 43.32795 2.356241       3.308790  4.252620       4.685753  0.4702145      4.672945  133.3892 51.91928 108.6386 47.65887 24.75053       70.47680 
1 1 1 32  2  20 o 204.4935 42.68296 11.55122       3.973182  8.671226       6.682932  13.12571       4.941303  167.5985 62.78242 212.4402 50.23605 -44.84164      80.40705 
1 1 1 32  2  21 o 196.0738 43.13835 10.79567       3.870756  25.73425       7.467701  5.307685       4.526253  290.4802 56.68628 138.7829 51.73104 151.6973       76.74266 
1 1 1 32  2  22 o 190.2410 53.26796 11.27649       4.956110  18.79013       7.171816  4.408442       6.856790  235.5535 63.34774 138.2167 59.17596 97.33678       86.68755 
1 1 1 32  2  23 o 156.9902 61.94157 8.368015       6.745944  8.368015       6.745944  0.000000       0.000000  156.9902 61.94157 ?        ?        0.000000       61.94157 
1 1 1 32  2  24 o 153.3632 59.91592 8.287753       6.258074  8.287753       6.258074  0.000000       0.000000  153.3632 59.91592 ?        ?        0.000000       59.91592 
1 1 1 32  2  25 o 155.6604 61.63363 9.497622       6.700943  9.497622       6.700943  0.000000       0.000000  155.6604 61.63363 ?        ?        0.000000       61.63363 
1 1 1 32  4  0  o 399.2897 24.28006 38.52805       4.538794  42.90345       6.699052  34.81519       6.171055  415.8925 34.55522 373.8434 35.51802 42.04916       49.55394 
1 1 1 32  4  1  f 87.85890 38.67061 -0.5077184     3.099005  6.486326       6.313569  -2.727664      3.556983  164.2238 61.12002 82.08126 38.15636 82.14257       72.05251 
1 1 1 32  4  2  o 167.3500 41.75965 7.303751       3.276800  3.846611       6.484388  8.489345       3.797330  148.0148 59.93630 179.5039 45.04400 -31.48912      74.97547 
1 1 1 32  4  3  o 293.5023 33.32307 21.39373       4.519172  20.01784       6.820887  22.47028       6.033458  271.9843 55.19846 294.8558 44.91913 -22.87149      71.16599 
1 1 1 32  4  4  o 372.6819 23.59140 33.52776       4.114478  36.05827       7.666870  32.50418       4.876126  374.9353 44.32808 364.7197 28.65210 10.21567       52.78182 
1 1 1 32  4  5  o 291.1288 23.99929 20.53612       3.257355  22.14211       4.811860  19.17764       4.425542  297.6465 35.03807 276.9029 34.74052 20.74365       49.34137 
1 1 1 32  4  6  f 90.67635 38.67210 0.2828865      2.907981  2.866758       4.140420  -2.232461      4.085150  124.2920 48.68647 91.51408 41.94511 32.77789       64.26324 
1 1 1 32  4  7  f 93.21567 39.32732 0.5432125      2.952958  -0.5838807     4.180192  1.665917       4.172047  101.1533 44.69805 115.3316 47.55019 -14.17832      65.26053 
1 1 1 32  4  8  o 250.1329 28.79587 15.44473       3.326365  17.17078       4.805531  13.85697       4.609002  258.1057 40.94699 229.6952 44.26167 28.41048       60.29720 
1 1 1 32  4  9  o 254.6094 31.87000 16.18765       3.733410  10.17836       6.389866  19.30231       4.600294  189.9023 62.10822 276.0825 36.30254 -86.18027      71.93959 
1 1 1 32  4  10 o 157.3363 44.55214 6.594184       3.446758  9.887040       6.007975  4.978715       4.208148  187.0264 60.15150 141.7045 50.30859 45.32193       78.41656 
1 1 1 32  4  11 o 86.68560 37.97811 -0.2736312     2.958721  -3.774796      4.289417  2.904089       4.086483  86.63505 40.79426 122.8103 48.28797 -36.17522      63.21313 
1 1 1 32  4  12 o 245.2736 30.68441 15.06053       3.462813  14.37012       4.986104  15.70378       4.812807  230.3206 47.59521 243.5084 43.61797 -13.18777      64.55874 
1 1 1 32  4  13 o 234.1138 36.41919 14.09922       3.880389  16.94254       4.900999  9.322236       6.352555  253.2942 42.64818 180.1565 61.96389 73.13771       75.22227 
1 1 1 32  4  14 o 134.7574 44.39137 4.722285       3.262135  -2.524057      4.557969  12.33186       4.670811  94.53033 43.68055 211.8786 47.97855 -117.3483      64.88398 
1 1 1 32  4  15 o 215.0138 40.87976 12.25099       3.983577  16.99198       4.969796  3.730678       6.662416  252.4281 43.41907 143.1385 59.64086 109.2896       73.77159 
1 1 1 32  4  16 o 255.0370 30.46962 16.37120       3.583067  15.03961       4.931959  17.85959       5.214262  234.7849 46.30130 257.5325 44.66080 -22.74762      64.33038 
1 1 1 32  4  17 o 152.8265 44.88609 6.406206       3.439312  9.788445       4.758622  2.707106       4.976535  184.5107 52.38388 125.6488 51.88141 58.86190       73.72755 
1 1 1 32  4  18 o 386.3474 28.84225 37.31852       5.203961  43.28181       9.685903  34.89862       6.170149  389.0777 54.41029 367.4548 36.16482 21.62296       65.33279 
1 1 1 32  4  19 o 382.8555 24.39850 36.14379       4.371184  36.01069       6.050718  36.28907       6.321762  373.4150 34.84930 373.3180 36.46456 0.9704590E-01  50.43944 
1 1 1 32  4  20 o 211.3289 41.61385 12.25430       3.989590  10.69263       6.843102  13.05844       4.910471  181.0492 64.16706 211.6808 50.09420 -30.63162      81.40540 
1 1 1 32  4  21 o 266.4025 34.68587 18.68642       4.243630  32.25327       8.003997  13.38158       5.004992  329.2990 53.50797 212.0268 50.83927 117.2722       73.80876 
1 1 1 32  4  22 o 188.7893 45.60884 10.40768       4.005027  9.027944       7.010972  11.07602       4.879566  163.6695 63.56267 188.3896 52.89225 -24.72011      82.69100 
1 1 1 32  4  23 o 77.15755 38.35352 -10.12188      5.415571  -10.12188      5.415571  0.000000       0.000000  77.15755 38.35352 ?        ?        0.000000       38.35352 
1 1 1 32  4  24 o 134.8351 56.22095 5.377527       5.926222  5.377527       5.926222  0.000000       0.000000  134.8351 56.22095 ?        ?        0.000000       56.22095 
1 1 1 32  4  25 o 222.8225 62.65286 18.90904       6.841357  18.90904       6.841357  0.000000       0.000000  222.8225 62.65286 ?        ?        0.000000       62.65286 
1 1 1 32  6  0  o 325.1184 23.92870 25.60442       3.633850  15.30321       6.892387  29.57018       4.276502  232.1429 61.96062 348.4966 26.28016 -116.3536      67.30354 
1 1 1 32  6  1  o 238.9978 33.29919 14.29751       3.641959  21.11772       7.162401  11.91919       4.229564  277.5616 56.77107 213.4163 43.60385 64.14531       71.58387 
1 1 1 32  6  2  o 162.0730 42.78157 6.894722       3.309468  4.580856       6.365763  7.751755       3.874185  151.1233 59.99789 170.7795 46.82531 -19.65625      76.10754 
1 1 1 32  6  3  o 270.1027 28.82041 17.94370       3.605287  30.46968       6.997687  13.41727       4.206558  343.7297 44.30979 228.1705 40.68397 115.5592       60.15433 
1 1 1 32  6  4  o 309.1059 26.33342 23.29341       3.792482  15.91558       6.876457  26.51852       4.546448  237.3825 61.19239 328.3981 29.75389 -91.01561      68.04266 
1 1 1 32  6  5  o 119.5198 41.60188 3.366820       2.867622  0.2404114      4.143499  6.240861       3.972747  105.5919 45.61327 154.4014 48.83522 -48.80951      66.82402 
1 1 1 32  6  6  o 369.1570 20.53431 32.75275       3.551728  34.97645       5.235403  30.85670       4.834340  377.1895 29.74821 354.4040 29.25972 22.78543       41.72633 
1 1 1 32  6  7  f 177.6495 37.36377 8.152416       3.023374  8.851335       4.419333  7.537514       4.145213  180.6148 50.20467 167.4837 49.30223 13.13116       70.36490 
1 1 1 32  6  8  o 469.9447 21.03162 53.04062       4.649313  60.85018       8.042289  49.12042       5.697967  493.5005 34.86799 448.4433 27.13897 45.05716       44.18484 
1 1 1 32  6  9  o 111.4755 43.88035 2.220437       3.378061  2.437872       5.567683  2.093766       4.249610  131.1899 54.57984 118.3231 48.29329 12.86683       72.87798 
1 1 1 32  6  10 o 112.1413 41.21688 2.771985       2.854789  1.554151       4.058092  3.965155       4.016788  112.4646 46.67697 131.3243 48.77579 -18.85973      67.51161 
1 1 1 32  6  11 o 285.9490 25.02792 20.01071       3.332633  20.17602       4.797292  19.85652       4.633104  280.7690 37.24165 279.1570 36.12975 1.612061       51.88737 
1 1 1 32  6  12 o 242.7358 27.86984 14.61646       3.124570  15.95288       4.565140  13.43865       4.285704  246.9519 40.71749 225.5821 41.93105 21.36981       58.44764 
1 1 1 32  6  13 o 300.7854 24.76244 22.15681       3.472511  26.73917       5.132379  18.28817       4.715775  325.1408 34.06227 265.5257 38.90969 59.61514       51.71269 
1 1 1 32  6  14 o 109.6581 47.20412 0.7496474      4.406267  0.7496474      4.406267  0.000000       0.000000  109.6581 47.20412 ?        ?        0.000000       47.20412 
1 1 1 32  6  15 o 202.0510 35.96367 10.59473       3.292887  8.088542       4.566102  13.31053       4.753222  169.4937 52.16346 220.2065 47.29827 -50.71281      70.41415 
1 1 1 32  6  16 o 234.0884 31.87746 13.91874       3.418927  9.691474       4.505787  19.65569       5.249063  185.0880 50.39477 271.7749 42.44629 -86.68695      65.88869 
1 1 1 32  6  17 o 185.8871 38.98790 9.214099       3.300315  8.988424       4.529638  9.469469       4.818439  177.1164 51.36723 180.8169 53.13486 -3.700531      73.90470 
1 1 1 32  6  18 o 100.6312 41.33072 1.471028       3.137090  -0.2131507     4.203839  3.587582       4.712665  100.5496 44.60804 128.9728 51.49067 -28.42319      68.12611 
1 1 1 32  6  19 o 185.0755 54.16125 10.26027       5.015610  0.000000       0.000000  10.26027       5.015610  ?        ?        185.0755 54.16125 0.000000       54.16125 
1 1 1 32  6  20 o 91.43730 40.65909 -0.2785412     3.512032  2.744055       5.424759  -2.459575      4.608097  125.5104 53.14687 92.90839 43.26941 32.60200       68.53343 
1 1 1 32  6  21 o 115.0799 45.23469 3.009773       3.585017  0.7271107      5.999445  4.277548       4.471068  117.4948 52.62890 129.5516 50.63545 -12.05679      73.03252 
1 1 1 32  6  22 o 124.3322 45.83674 4.192792       3.534439  18.47206       6.772151  -1.152771      4.143529  235.0365 60.79481 92.18632 42.24974 142.8502       74.03411 
1 1 1 32  6  23 o 186.6921 61.92348 12.62782       6.343690  12.62782       6.343690  0.000000       0.000000  186.6921 61.92348 ?        ?        0.000000       61.92348 
1 1 1 32  6  24 o 85.92028 42.13326 -7.131392      5.801028  -7.131392      5.801028  0.000000       0.000000  85.92028 42.13326 ?        ?        0.000000       42.13326 
1 1 1 32  8  0  o 296.3046 27.61736 21.55422       3.805021  14.18549       7.221880  24.38578       4.476793  220.3550 65.13516 313.7991 30.72224 -93.44403      72.01698 
1 1 1 32  8  1  o 604.7910 19.51074 87.55107       5.550707  94.23306       10.50729  84.96447       6.537356  613.2966 36.58752 593.5245 23.41500 19.77216       43.43856 
1 1 1 32  8  2  o 476.6541 40.19935 57.72890       8.929350  57.72890       8.929350  0.000000       0.000000  476.6541 40.19935 ?        ?        0.000000       40.19935 
1 1 1 32  8  3  o 238.3692 33.46801 14.28036       3.649340  17.88645       7.290551  13.07475       4.215463  249.9679 62.24109 224.2037 41.49829 25.76421       74.80682 
1 1 1 32  8  4  o 324.1054 26.03082 25.63184       3.935174  33.32343       7.930728  23.11957       4.532504  355.0902 48.76702 304.8729 32.08622 50.21738       58.37592 
1 1 1 32  8  5  o 111.4779 43.94860 2.174802       3.393430  5.665874       6.578633  0.9091489      3.961078  157.7402 61.48505 107.5340 45.46796 50.20619       76.47056 
1 1 1 32  8  6  o 134.8409 41.09963 4.696918       2.842891  5.117845       4.066389  4.294486       3.976045  142.7079 49.54757 134.5952 48.76724 8.112717       69.52126 
1 1 1 32  8  7  o 397.4467 22.43079 38.18649       4.176521  34.33413       6.964775  40.34964       5.219005  365.3199 41.25137 405.8614 27.49863 -40.54150      49.57671 
1 1 1 32  8  8  o 131.6289 41.77348 4.448024       2.904982  5.622678       4.198652  3.369344       4.023473  147.4771 50.38610 126.3319 48.39311 21.14513       69.86166 
1 1 1 32  8  9  o 137.4886 41.60773 4.940232       2.921236  4.236207       4.097141  5.668202       4.166230  134.0443 49.36079 147.5669 50.19228 -13.52260      70.39710 
1 1 1 32  8  10 o 478.8026 26.92245 56.17593       6.039128  56.17593       6.039128  0.000000       0.000000  478.8026 26.92245 ?        ?        0.000000       26.92245 
1 1 1 32  8  11 o 276.4585 26.62877 18.83116       3.420153  18.35434       4.886496  19.28907       4.788641  265.4220 40.41323 273.5241 38.26506 -8.102112      55.65468 
1 1 1 32  8  12 o 311.4519 23.66634 23.66127       3.441363  26.31256       5.041498  21.34803       4.709129  322.8300 33.69489 289.5352 35.30685 33.29480       48.80491 
1 1 1 32  8  13 o 206.2620 38.94762 11.15699       3.640419  9.510188       4.396739  14.74733       6.491996  184.8908 49.54823 223.5221 60.33739 -38.63135      78.07451 
1 1 1 32  8  14 o 63.53558 31.20361 -5.987337      3.220082  -3.466150      3.972974  -10.81451      5.497428  83.22167 39.20927 79.86590 39.51387 3.355774       55.66608 
1 1 1 32  8  15 o 114.2047 44.13421 2.692675       3.367207  3.964642       4.180515  0.3433413      5.681516  130.5309 49.48878 118.3960 52.22418 12.13492       71.94792 
1 1 1 32  8  16 o 277.7573 27.53453 19.20409       3.550195  17.16447       4.906449  21.44546       5.143395  253.1019 42.73157 285.9908 39.26859 -32.88893      58.03455 
1 1 1 32  8  17 o 282.4461 26.97244 19.86367       3.540085  21.11026       5.051501  18.66059       4.962557  283.2003 38.94999 264.3928 41.24765 18.80750       56.73156 
1 1 1 32  8  18 o 289.7863 29.79940 21.23333       4.004257  12.98454       6.064466  27.60933       5.331773  204.9102 59.43850 326.4089 35.28638 -121.4987      69.12354 
1 1 1 32  8  19 o 261.9440 32.22095 17.67863       3.886526  22.66052       6.250721  14.53875       4.962380  282.4834 48.80505 225.5480 48.23210 56.93536       68.61682 
1 1 1 32  8  20 f 69.50680 34.31580 -7.568253      4.068690  0.000000       0.000000  -7.568253      4.068690  ?        ?        69.50680 34.31580 0.000000       34.31580 
1 1 1 32  8  21 o 130.9327 46.09004 4.794542       3.524772  9.542212       5.970143  2.254114       4.367148  169.7633 59.95955 113.9074 47.92910 55.85595       76.76162 
1 1 1 32  8  22 o 178.4601 50.29560 9.900434       4.403489  22.31273       7.049754  1.959275       5.638842  260.8033 58.86044 118.5094 52.16222 142.2939       78.64763 
1 1 1 32  8  23 o 176.4869 50.08768 9.914796       4.351402  3.469085       6.206934  16.14447       6.102031  126.2970 55.17801 216.6646 58.50170 -90.36758      80.41804 
1 1 1 32  10 0  o 260.4139 30.08379 16.88414       3.617421  24.44412       7.398380  14.50893       4.146929  297.1205 54.95826 237.0844 38.50497 60.03610       67.10472 
1 1 1 32  10 1  o 165.6624 43.32864 7.324397       3.414998  5.436980       6.686105  7.990567       3.972206  155.6417 61.58463 171.6549 47.55565 -16.01318      77.80878 
1 1 1 32  10 2  o 174.7740 41.76392 8.092252       3.386721  9.479787       6.876257  7.647864       3.891446  183.4555 64.38918 168.1985 47.23806 15.25697       79.85862 
1 1 1 32  10 3  o 141.5455 45.16723 5.218431       3.392604  4.197384       6.630294  5.580577       3.948678  148.1050 60.37115 146.4793 48.86806 1.625763       77.67087 
1 1 1 32  10 4  o 317.4703 26.21013 24.67877       3.879187  24.66112       7.655159  24.68487       4.499705  297.3895 56.79293 315.2191 30.73714 -17.82965      64.57715 
1 1 1 32  10 5  o 81.91436 38.42412 -3.187043      3.742891  0.000000       0.000000  -3.187043      3.742891  ?        ?        81.91436 38.42412 0.000000       38.42412 
1 1 1 32  10 6  o 260.8281 53.20758 18.78121       6.307103  0.000000       0.000000  18.78121       6.307103  ?        ?        260.8281 53.20758 0.000000       53.20758 
1 1 1 32  10 7  o 114.3827 40.72028 3.047930       2.758756  9.817984       4.118423  -2.462375      3.715547  190.3845 46.40798 84.72556 39.25109 105.6589       60.78115 
1 1 1 32  10 8  o 475.7208 18.29291 54.18455       4.093590  57.41998       5.981436  51.33401       5.614401  484.5166 26.34284 458.1741 26.15823 26.34250       37.12409 
1 1 1 32  10 9  o 140.5401 41.42562 5.210085       2.924809  6.285798       4.243408  4.236516       4.036921  153.2264 50.63709 133.3519 49.01315 19.87448       70.47271 
1 1 1 32  10 10 f 296.8566 24.14227 21.52571       3.342069  15.78426       4.476947  28.75261       5.022809  245.9494 40.07627 338.9344 31.87828 -92.98503      51.20871 
1 1 1 32  10 11 o 125.4034 41.49911 3.993216       2.849709  3.297838       4.071477  4.661025       3.989952  125.2034 48.48990 136.7223 48.93916 -11.51891      68.89348 
1 1 1 32  10 12 o 268.2133 31.57516 18.09496       3.907478  19.77374       4.767236  14.65814       6.820994  276.9671 37.55943 221.1740 62.68973 55.79312       73.08018 
1 1 1 32  10 13 o 183.2892 35.64402 8.731596       2.962559  10.36906       4.259382  7.197078       4.123312  194.0974 47.12353 161.4180 49.55177 32.67938       68.38132 
1 1 1 32  10 14 f 151.5653 41.75258 6.189064       3.071818  8.035069       4.273777  4.216154       4.418237  169.3264 50.12134 133.9146 50.85120 35.41185       71.40023 
1 1 1 32  10 15 o 174.5950 43.44445 8.325984       3.553711  12.37151       4.353104  0.2428954      6.153187  212.8641 44.88726 121.2578 53.87342 91.60629       70.12283 
1 1 1 32  10 16 o 112.9587 42.35320 2.878348       3.042691  -0.3333322     4.010032  7.236594       4.671298  98.10673 43.54387 159.6118 53.14716 -61.50512      68.70727 
1 1 1 32  10 17 o 196.2459 40.77668 10.43019       3.641336  3.382878       5.379765  16.38859       4.946704  131.1118 54.01884 244.3154 44.68918 -113.2036      70.10818 
1 1 1 32  10 18 o 113.6127 44.18532 2.805572       3.391597  -2.535375      5.359982  6.371973       4.379952  100.6915 46.81800 149.6096 51.45196 -48.91813      69.56457 
1 1 1 32  10 19 o 127.9547 45.29677 4.375211       3.409119  1.217598       5.295545  6.610075       4.455094  116.0796 50.83346 150.5159 51.88412 -34.43633      72.63610 
1 1 1 32  10 20 o 199.6848 40.28471 11.04661       3.653503  18.76338       6.226399  6.994520       4.511896  246.8800 55.02064 152.3920 52.23103 94.48799       75.86404 
1 1 1 32  10 21 f 102.0983 44.42498 0.9676681      3.987792  1.391498       6.317810  0.6869798      5.141415  120.4590 53.97837 109.7196 48.96339 10.73939       72.87715 
1 1 1 32  10 22 o 92.95657 42.32082 -0.6285067     4.068625  -8.397741      5.546171  8.424496       5.986879  81.80923 40.32874 156.5965 59.25882 -74.78727      71.67995 
1 1 1 32  10 23 o 140.7774 49.23960 6.292737       4.019547  1.937277       5.869333  10.13972       5.516092  116.3314 52.08516 168.0874 57.74459 -51.75607      77.76440 
1 1 1 32  12 0  o 135.4134 43.66887 4.783343       3.164884  7.092747       6.303556  4.004963       3.659580  163.5139 61.02892 129.0153 46.78000 34.49863       76.89537 
1 1 1 32  12 1  o 166.5992 40.83894 7.388234       3.175738  10.28538       6.484759  6.474205       3.642411  187.7118 62.62481 154.8212 46.37277 32.89053       77.92496 
1 1 1 32  12 2  o 209.1150 34.84166 11.20437       3.306713  10.59750       6.588319  11.40872       3.823132  190.2774 63.10584 208.2354 40.48777 -17.95802      74.97737 
1 1 1 32  12 3  o 153.0821 42.80235 6.262366       3.202338  -5.891796      6.614438  9.983445       3.659863  104.3225 49.57580 194.1162 41.34711 -89.79365      64.55497 
1 1 1 32  12 4  o 158.0320 43.25938 6.695408       3.309747  4.292509       7.300490  7.317059       3.713277  150.9441 62.62343 164.2488 46.14935 -13.30470      77.79111 
1 1 1 32  12 5  o 138.6396 48.17500 4.887664       3.844599  0.000000       0.000000  4.887664       3.844599  ?        ?        138.6396 48.17500 0.000000       48.17500 
1 1 1 32  12 6  o 314.0924 26.52519 24.25180       3.882435  21.60226       7.302732  25.29573       4.583913  275.1045 58.24560 318.3643 31.00187 -43.25989      65.98232 
1 1 1 32  12 7  o 174.3885 42.83431 8.155713       3.488346  -0.3165874     6.537762  11.52774       4.124526  123.6267 55.18830 207.6494 43.61305 -84.02268      70.34093 
1 1 1 32  12 8  o 452.0143 18.79540 49.00279       3.996437  51.67270       5.812789  46.60943       5.503516  458.7389 27.05681 435.6615 26.98765 23.07745       38.21523 
1 1 1 32  12 9  o 188.8356 34.07357 9.155103       2.915347  7.753437       4.100681  10.58759       4.145530  167.8772 48.92837 197.6498 45.52615 -29.77260      66.83275 
1 1 1 32  12 10 o 122.6699 42.02876 3.740267       2.921417  -1.497030      4.158124  8.845576       4.105395  94.69968 42.98655 179.2488 47.80902 -84.54908      64.29266 
1 1 1 32  12 11 o 89.09510 39.75602 -0.7402227     3.388783  -3.311468      4.064907  5.118906       6.136142  85.15723 39.97647 149.1944 59.00891 -64.03719      71.27531 
1 1 1 32  12 12 o 95.37982 39.52581 1.035880       2.903541  0.4338473      4.269034  1.554096       3.960730  106.2345 46.09428 110.4974 46.00801 -4.262901      65.12618 
1 1 1 32  12 13 o 136.9006 45.65896 4.932901       3.447190  9.232080       4.246289  -3.376933      5.903546  181.7467 48.68782 104.7810 48.85772 76.96573       68.97521 
1 1 1 32  12 14 o 625.8776 17.88995 94.05879       5.267056  95.69699       7.570178  92.52164       7.332968  624.4714 25.77058 614.4160 25.37161 10.05536       36.16409 
1 1 1 32  12 15 o 96.80150 40.03406 1.194478       2.970053  2.993156       4.131281  -0.7296065     4.272874  121.4315 48.29482 98.81322 44.32704 22.61826       65.55361 
1 1 1 32  12 16 o 103.9754 44.24193 1.058139       3.790079  -2.491082      4.930795  6.183116       5.925109  97.24056 45.10815 151.7630 58.57379 -54.52247      73.92993 
1 1 1 32  12 17 o 85.22564 38.61577 -1.048287      3.336864  -1.937277      5.185176  -0.4198594     4.359560  101.4595 46.77938 100.3609 44.91512 1.098671       64.85120 
1 1 1 32  12 18 o 80.57574 37.17960 -1.710307      3.284899  -2.075208      5.101736  -1.451893      4.293271  99.38538 46.02537 93.92975 43.03318 5.455635       63.00943 
1 1 1 32  12 19 o 291.6220 39.41116 23.08654       5.267915  0.000000       0.000000  23.08654       5.267915  ?        ?        291.6220 39.41116 0.000000       39.41116 
1 1 1 32  12 20 o 111.9730 45.81301 2.551191       3.836018  -1.799941      5.212172  7.693223       5.666110  99.64278 46.27629 155.2370 57.87645 -55.59422      74.10248 
1 1 1 32  12 21 o 92.21115 43.91789 -3.659334      5.248820  0.000000       0.000000  -3.659334      5.248820  ?        ?        92.21115 43.91789 0.000000       43.91789 
1 1 1 32  12 22 o 235.6973 40.48996 15.88975       4.327467  9.643283       6.008574  22.62188       6.237784  162.8522 59.80516 268.5109 51.25519 -105.6587      78.76390 
1 1 1 32  14 0  f 293.4700 27.50994 21.34178       3.753397  25.60642       7.415698  19.87299       4.352016  301.7045 54.24607 279.5881 33.77491 22.11642       63.90134 
1 1 1 32  14 1  f 122.1248 44.43062 3.528382       3.305235  -3.754459      6.532050  6.034816       3.832015  109.6886 51.22863 149.5058 48.03452 -39.81723      70.22598 
1 1 1 32  14 2  f 281.5738 28.25040 19.68266       3.691392  31.18312       7.800230  16.36375       4.190322  337.5653 50.68830 252.2188 36.36955 85.34651       62.38628 
1 1 1 32  14 3  o 286.2355 33.03003 20.69850       4.365719  0.000000       0.000000  20.69850       4.365719  ?        ?        286.2355 33.03003 0.000000       33.03003 
1 1 1 32  14 4  o 133.7270 47.54125 4.454654       3.759152  0.000000       0.000000  4.454654       3.759152  ?        ?        133.7270 47.54125 0.000000       47.54125 
1 1 1 32  14 5  f 162.5213 42.59496 7.097565       3.295891  18.19560       6.629562  3.454066       3.798578  251.9670 57.23641 124.7000 47.19902 127.2671       74.18729 
1 1 1 32  14 6  o 158.3804 43.42744 6.756222       3.332247  9.197385       6.464499  5.872873       3.888685  178.9831 62.45330 148.2753 48.44912 30.70782       79.04260 
1 1 1 32  14 7  o 256.7080 30.81367 16.53253       3.646585  16.75089       7.513781  16.46526       4.170687  234.6625 65.54639 253.4026 36.00093 -18.74011      74.78233 
1 1 1 32  14 8  o 184.4428 40.26215 9.023091       3.395201  13.63853       7.303507  7.750691       3.834750  211.1756 66.13463 168.2191 46.76904 42.95644       81.00082 
1 1 1 32  14 9  o 461.4110 18.67316 51.09883       4.052987  56.75499       5.947045  46.19340       5.538333  480.8615 26.39221 433.0348 27.32880 47.82666       37.99226 
1 1 1 32  14 10 o 414.3114 23.47336 41.82646       4.555992  44.92875       5.665340  36.14745       7.665162  426.0414 28.43192 368.3966 45.17886 57.64471       53.38074 
1 1 1 32  14 11 o 185.2295 36.51894 8.971359       3.068881  9.161407       4.398436  8.791078       4.283935  180.5508 50.04988 177.1532 49.49618 3.397583       70.39079 
1 1 1 32  14 12 o 89.15190 38.23669 0.3397684      2.871866  -2.619140      3.945488  3.673974       4.188236  86.21429 40.11375 127.9196 49.28102 -41.70534      63.54315 
1 1 1 32  14 13 o 162.0307 47.86488 7.339676       3.900978  22.15815       8.177703  2.974320       4.438533  266.8040 65.61435 123.6722 49.75977 143.1317       82.34851 
1 1 1 32  14 14 o 94.24917 39.34396 0.9848813      2.907068  -2.041116      4.124253  3.972915       4.098300  90.53839 41.73565 128.9897 48.97681 -38.45126      64.34743 
1 1 1 32  14 15 o 311.8512 26.65018 24.22608       3.871918  37.75268       6.725914  17.52152       4.735243  379.2720 38.22004 255.5953 40.75266 123.6767       55.87083 
1 1 1 32  14 16 o 173.6151 43.61563 8.435610       3.557455  20.07134       5.754254  1.236933       4.526041  267.0262 47.55384 111.0514 47.82249 155.9748       67.44152 
1 1 1 32  14 17 o 67.00873 33.13263 -7.480017      3.843805  -6.991677      4.961100  -8.213437      6.079855  81.50697 39.75283 89.58694 43.76243 -8.079971      59.12223 
1 1 1 32  14 18 o 135.3598 44.78746 5.166924       3.319261  6.316885       5.521868  4.516313       4.153412  147.2074 56.62045 130.3858 49.35352 16.82164       75.11089 
1 1 1 32  14 19 o 95.92563 42.42386 0.2346154      3.773432  -0.2843936     5.260345  0.7847801      5.415932  106.4111 48.32065 112.4778 50.21956 -6.066643      69.69139 
1 1 1 32  14 20 o 122.5159 47.34294 3.994499       3.874428  2.300535       5.284689  5.963140       5.697057  117.8176 51.20272 140.9646 56.49536 -23.14703      76.24595 
1 1 1 32  16 0  o 141.2887 44.44857 5.353321       3.294877  3.926873       6.560672  5.834453       3.810243  142.9499 59.34107 146.8340 47.95700 -3.884094      76.29703 
1 1 1 32  16 1  o 98.33105 41.05832 1.039330       3.167067  7.437575       6.470721  -0.9762645     3.631816  164.7601 61.76611 90.60633 40.73897 74.15379       73.99133 
1 1 1 32  16 2  o 94.43658 42.12339 -0.6814245     3.800484  0.000000       0.000000  -0.6814245     3.800484  ?        ?        94.43658 42.12339 0.000000       42.12339 
1 1 1 32  16 3  o 147.9834 48.58847 5.893804       3.909335  0.000000       0.000000  5.893804       3.909335  ?        ?        147.9834 48.58847 0.000000       48.58847 
1 1 1 32  16 4  o 93.69273 40.30187 0.3360658      3.207180  8.412604       6.825550  -1.952376      3.633247  172.6230 63.68739 85.60216 39.35379 87.02087       74.86524 
1 1 1 32  16 5  o 120.0065 44.55860 3.289767       3.351721  5.326993       6.381556  2.513704       3.938723  151.2089 60.05951 117.5013 47.01619 33.70763       76.27364 
1 1 1 32  16 6  f 277.8215 59.24563 22.44650       7.506305  22.44650       7.506305  0.000000       0.000000  277.8215 59.24563 ?        ?        0.000000       59.24563 
1 1 1 32  16 7  o 251.3954 31.30334 15.94031       3.621655  21.05232       7.916958  14.58743       4.072787  263.7179 64.38050 236.7952 37.83746 26.92270       74.67612 
1 1 1 32  16 8  o 207.9550 37.72911 11.31499       3.554833  3.293698       7.049494  14.05022       4.116546  142.5624 60.48843 231.3723 39.22381 -88.80989      72.09270 
1 1 1 32  16 9  o 145.5890 51.01472 5.624248       4.315514  21.91439       8.329831  -0.3522592     5.045422  265.8592 66.71394 109.2575 48.64910 156.6016       82.56805 
1 1 1 32  16 10 f 272.7813 31.01296 18.77748       3.908748  22.34245       8.158712  17.71546       4.453062  269.4863 65.09167 261.0391 37.32756 8.447266       75.03514 
1 1 1 32  16 11 o 101.0644 39.79028 1.877130       2.778202  2.269989       3.939662  1.488507       3.918365  114.7269 46.62490 108.8475 45.57816 5.879448       65.20161 
1 1 1 32  16 12 o 238.1377 29.64262 14.32631       3.248710  12.86944       4.567691  15.81773       4.621521  215.2904 46.46531 242.5468 42.02884 -27.25635      62.65340 
1 1 1 32  16 13 o 287.6935 24.96929 20.48310       3.345623  21.41875       4.756865  19.56720       4.706388  286.8724 36.04621 272.8880 37.66766 13.98434       52.13618 
1 1 1 32  16 14 o 120.6543 44.18610 3.601048       3.276698  0.9958384      4.908210  5.695698       4.401062  113.1252 49.25456 143.7989 51.40641 -30.67371      71.19431 
1 1 1 32  16 15 f 187.8796 40.48319 9.676933       3.472313  15.97206       5.539027  5.601513       4.456741  233.1576 51.84435 142.1552 51.61198 91.00240       73.15485 
1 1 1 32  16 16 o 418.0880 23.18215 43.16737       4.541366  48.21641       7.604318  40.36826       5.661946  424.8925 38.46322 397.4402 30.51779 27.45239       49.09943 
1 1 1 32  16 17 o 105.7418 42.07217 2.307402       3.136447  4.937575       5.079004  0.6861333      3.987621  136.0282 53.72246 101.2587 44.23317 34.76954       69.58934 
1 1 1 32  16 18 o 115.8296 49.98645 2.060048       4.966234  2.060048       4.966234  0.000000       0.000000  115.8296 49.98645 ?        ?        0.000000       49.98645 
1 1 1 32  16 19 o 151.0160 48.70701 7.036483       3.937186  15.13972       5.569480  -1.058264      5.566564  216.5329 54.67007 104.1397 48.17396 112.3932       72.86664 
1 1 1 32  18 0  o 133.8916 37.60073 4.765577       2.465662  0.000000       0.000000  4.765577       2.465662  ?        ?        133.8916 37.60073 0.000000       37.60073 
1 1 1 32  18 1  o 70.75861 34.01138 -4.202455      3.308265  0.000000       0.000000  -4.202455      3.308265  ?        ?        70.75861 34.01138 0.000000       34.01138 
1 1 1 32  18 2  o 103.0857 43.38987 1.119398       3.581017  0.000000       0.000000  1.119398       3.581017  ?        ?        103.0857 43.38987 0.000000       43.38987 
1 1 1 32  18 3  o 191.5461 38.16213 9.695848       3.317791  6.004757       6.101070  11.24573       3.953462  153.2142 59.35239 204.1209 42.55284 -50.90669      73.03047 
1 1 1 32  18 4  o 152.1280 37.88750 6.160363       2.701039  1.523187       6.391701  7.168492       2.980217  129.0473 56.19672 163.7026 39.21651 -34.65533      68.52741 
1 1 1 32  18 5  o 90.40012 38.17832 0.6454647      2.787496  1.910523       6.433653  0.3531040      3.092871  131.2021 56.75671 92.01287 39.57815 39.18928       69.19360 
1 1 1 32  18 6  o 79.03427 35.93742 -1.258290      2.922195  -1.597800      6.674313  -1.177774      3.250281  117.6436 53.80846 84.18515 38.13086 33.45847       65.94932 
1 1 1 32  18 7  o 321.6830 24.54251 25.43752       3.685758  26.05232       8.052349  25.27458       4.145521  296.9291 59.71967 318.6409 27.93931 -21.71176      65.93211 
1 1 1 32  18 8  o 190.4662 42.93831 9.886667       3.755149  6.516053       6.836803  11.34281       4.493660  157.8692 62.33540 201.0629 48.14809 -43.19370      78.76510 
1 1 1 32  18 9  o 311.3246 27.90862 24.18443       4.043764  13.40071       7.491193  28.61877       4.803758  203.7283 67.27790 336.9142 30.64553 -133.1858      73.92878 
1 1 1 32  18 10 o 217.7241 36.66999 12.45438       3.622197  10.85612       7.120778  13.01231       4.207181  185.4050 65.48327 218.9889 42.37325 -33.58386      77.99712 
1 1 1 32  18 11 o 438.1216 22.68144 46.98324       4.658479  67.74673       9.707009  40.77021       5.309907  504.6518 41.25135 403.8259 28.12831 100.8258       49.92871 
1 1 1 32  18 12 o 69.63054 32.53704 -2.050314      2.640439  3.435452       3.647234  -8.092002      3.827579  120.9262 46.13386 65.55071 32.52586 55.37545       56.44701 
1 1 1 32  18 13 o 139.6561 43.65861 5.419106       3.184425  7.788348       4.986134  3.787050       4.138347  161.3791 54.90937 125.8949 48.85059 35.48424       73.49435 
1 1 1 32  18 14 o 239.6320 31.81269 14.87117       3.497397  8.695006       5.302969  19.62554       4.652712  167.4713 56.62879 271.2218 37.46863 -103.7504      67.90227 
1 1 1 32  18 15 o 226.3350 32.36045 13.39318       3.347290  11.50119       5.113571  14.81169       4.427723  192.4056 54.18997 230.4482 42.40752 -38.04262      68.81098 
1 1 1 32  18 16 o 115.3822 42.33799 3.425731       3.010430  5.787753       4.752265  1.842584       3.890625  140.9792 52.91671 107.4848 45.23331 33.49442       69.61488 
1 1 1 32  20 0  f 288.2760 21.52533 20.32415       2.897901  0.000000       0.000000  20.32415       2.897901  ?        ?        288.2760 21.52533 0.000000       21.52533 
1 1 1 32  20 1  o 133.5963 42.45908 4.814340       3.000287  -1.903092      6.142834  6.918858       3.438298  110.7739 51.01658 157.5932 44.45293 -46.81927      67.66650 
1 1 1 32  20 2  o 105.3397 41.70463 2.100510       3.067786  -2.315101      5.646152  3.950128       3.654249  104.9655 48.54230 126.3033 46.59945 -21.33775      67.28941 
1 1 1 32  20 3  o 365.3913 24.14729 32.84922       4.127056  21.45065       7.627645  37.56744       4.907434  263.3828 62.50389 388.7422 27.00390 -125.3593      68.08778 
1 1 1 32  20 4  o 142.7829 39.05615 5.505747       2.698993  11.81332       6.710515  4.288470       2.947947  193.2253 63.66944 127.4970 42.20914 65.72829       76.38985 
1 1 1 32  20 5  o 96.72375 38.72315 1.580500       2.673357  5.983948       6.760702  0.7643551      2.910576  152.9512 61.45728 92.33884 39.00541 60.61241       72.79023 
1 1 1 32  20 6  o 450.8689 18.62807 49.03057       3.950821  63.79311       10.18908  46.41826       4.286150  484.4869 45.23098 437.3322 20.83467 47.15466       49.79884 
1 1 1 32  20 7  o 193.9720 39.38038 10.12838       3.470548  13.46909       7.614344  9.252372       3.899112  201.4174 67.85812 181.4403 45.70641 19.97713       81.81564 
1 1 1 32  20 8  o 84.70084 37.07434 -0.5275523E-01 2.813823  12.69620       7.196729  -2.353390      3.057185  196.6188 65.97234 74.57903 34.90122 122.0397       74.63541 
1 1 1 32  20 9  o 254.4427 27.59007 16.28887       3.249359  17.96671       7.215973  15.86213       3.639201  236.6092 63.50488 248.4330 31.87588 -11.82378      71.05590 
1 1 1 32  20 10 o 222.0573 30.09539 12.62155       3.062654  7.294888       6.076049  14.43585       3.546083  157.5488 59.67938 235.9618 32.83767 -78.41301      68.11712 
1 1 1 32  20 11 o 150.7284 43.69696 6.414087       3.278464  14.50654       6.465891  3.613639       3.803663  211.6918 61.36512 122.4061 47.01373 89.28570       77.30439 
1 1 1 32  20 12 o 180.2509 47.33020 9.475519       4.064472  0.000000       0.000000  9.475519       4.064472  ?        ?        180.2509 47.33020 0.000000       47.33020 
1 1 1 32  20 13 o 88.58856 40.57837 -1.311569      3.814905  0.000000       0.000000  -1.311569      3.814905  ?        ?        88.58856 40.57837 0.000000       40.57837 
1 1 1 32  20 14 o 139.7552 42.78977 5.585585       3.077032  0.5089180E-01  4.876228  9.247714       3.966469  105.1275 47.24256 176.6366 46.93664 -71.50912      66.59510 
1 1 1 32  22 0  o 208.8265 27.02810 11.04350       2.592741  9.738407       6.360461  11.30357       2.839353  173.6323 61.82809 209.8858 29.57883 -36.25357      68.53919 
1 1 1 32  22 1  o 99.96090 41.07620 1.565915       3.100522  -0.9360881     5.801634  2.566190       3.668312  110.1627 50.30212 112.8556 45.29696 -2.692879      67.69135 
1 1 1 32  22 2  f 220.8912 34.59368 12.82868       3.476559  11.19798       6.720068  13.42462       4.062444  184.3508 63.71252 222.0166 40.38627 -37.66579      75.43432 
1 1 1 32  22 3  o 124.0330 38.57094 4.136674       2.489174  5.047563       6.572905  3.984167       2.689492  144.0594 59.56545 122.2806 40.30845 21.77880       71.92227 
1 1 1 32  22 4  o 294.8975 24.82588 21.62981       3.411820  16.49822       7.547547  22.94773       3.824929  220.3536 66.92318 302.1910 27.19887 -81.83734      72.23912 
1 1 1 32  22 5  o 139.4354 38.54479 5.317052       2.612652  5.484543       6.288494  5.282110       2.872281  145.5600 58.99541 138.2699 41.12628 7.290085       71.91543 
1 1 1 32  22 6  o 127.3272 41.28002 4.398788       2.825255  3.213437       5.854122  4.758698       3.225781  130.4220 55.21746 131.8078 44.16870 -1.385727      70.70956 
1 1 1 32  22 7  o 177.7335 34.81188 8.410707       2.806362  6.328776       6.550502  8.878734       3.105825  150.6636 60.50976 181.0001 37.70205 -30.33656      71.29429 
1 1 1 32  22 8  o 130.3687 40.42147 4.672484       2.736036  5.969085       6.010472  4.333579       3.072874  146.7545 58.28813 126.4874 43.10558 20.26712       72.49549 
1 1 1 32  22 9  o 92.99666 38.58340 1.193175       2.771387  0.4307373      5.843680  1.414422       3.147915  115.3804 51.79315 98.67235 41.04467 16.70805       66.08475 
1 1 1 32  22 10 f 106.3531 39.82408 2.683414       2.688426  2.489596       5.643387  2.740313       3.057682  123.5993 53.31257 109.2555 42.10284 14.34375       67.93291 
1 1 1 32  24 0  o 55.70116 27.35555 -4.452738      2.474547  -10.00595      5.509487  -3.049399      2.769622  78.92235 39.13741 65.99404 31.56108 12.92831       50.27762 
1 1 1 32  24 1  o 131.4566 43.44108 4.882843       3.123059  -2.155767      5.482422  8.264091       3.799860  100.8359 47.03983 166.9960 46.60091 -66.16008      66.21473 
1 1 1 32  24 2  o 134.4954 44.07984 5.145590       3.218022  -0.3977408     5.813992  7.593891       3.863860  110.5066 50.41895 159.5306 47.75674 -49.02399      69.44622 
1 1 1 32  24 3  o 326.9350 20.99965 26.31264       3.212471  6.762783       6.513046  32.59785       3.692940  150.1495 60.32479 363.4802 21.69741 -213.3307      64.10818 
1 1 1 32  24 4  o 184.0921 35.89911 9.177974       2.997098  -0.4155767     6.262140  12.02845       3.413435  113.6664 52.03740 211.6148 35.55136 -97.94841      63.02215 
1 1 1 33  1  0  o 212.9207 39.63116 11.75108       3.823318  8.263031       5.347984  15.39743       5.467989  173.8283 56.81807 238.4191 50.33492 -64.59081      75.90717 
1 1 1 33  1  1  o 104.2595 43.79928 0.9453711      3.637516  -1.500774      5.002261  3.690344       5.299004  105.3214 47.54028 137.8486 54.73638 -32.52720      72.49931 
1 1 1 33  1  2  o 181.2541 41.54601 8.636667       3.466568  2.889418       5.898012  11.66991       4.284785  136.8024 56.48335 209.8517 44.77081 -73.04926      72.07493 
1 1 1 33  1  3  o 121.6291 41.41598 3.592861       2.836679  -1.610138      3.943028  9.174618       4.084025  92.38023 41.90532 184.7951 46.90186 -92.41491      62.89547 
1 1 1 33  1  4  o 199.8022 32.93148 10.08723       2.987292  7.831299       4.204784  12.38634       4.244838  170.2458 49.52456 217.1165 43.08287 -46.87070      65.64157 
1 1 1 33  1  5  o 186.8028 36.18513 8.969750       3.064820  10.42539       4.305250  7.474137       4.363966  196.8005 47.12824 166.3120 50.96450 30.48854       69.41507 
1 1 1 33  1  6  o 103.7755 41.16327 1.776510       2.993906  6.300878       4.312160  -2.434160      4.159983  154.5136 51.04485 90.92990 41.91610 63.58369       66.04949 
1 1 1 33  1  7  o 365.0203 21.91983 32.20587       3.746337  31.24191       5.212254  33.23607       5.388376  354.4295 31.59396 365.6067 31.64300 -11.17715      44.71530 
1 1 1 33  1  8  o 350.9725 26.23638 30.16330       4.300252  29.65220       6.963863  30.47832       5.467141  335.4905 45.28366 348.3840 33.78518 -12.89346      56.49821 
1 1 1 33  1  9  o 207.5631 44.90817 11.57251       4.257345  9.464924       5.830065  13.98038       6.231558  182.1671 59.31299 219.7304 59.03116 -37.56328      83.68219 
1 1 1 33  1  10 o 152.2788 45.46287 6.243265       3.505092  8.311261       4.442185  2.831748       5.705524  172.9304 51.07528 133.1563 55.31236 39.77415       75.28706 
1 1 1 33  1  11 o 177.1555 39.10609 8.297110       3.171669  3.527700       4.387409  13.51783       4.590301  128.8346 50.21352 223.8353 45.15336 -95.00072      67.52943 
1 1 1 33  1  12 o 95.03719 39.94204 0.8139375      3.027137  -3.899608      4.151378  6.165960       4.423615  83.75958 39.64892 151.2570 51.71813 -67.49744      65.16749 
1 1 1 33  1  13 o 322.1248 35.63768 26.56852       5.309649  28.22830       8.281940  25.41023       6.918581  312.3214 58.52208 303.5229 50.21260 8.798553       77.11121 
1 1 1 33  1  14 o 265.6249 29.75089 17.70996       3.653549  21.65988       5.142696  13.68480       5.191447  287.9852 38.96254 220.0947 51.12097 67.89047       64.27623 
1 1 1 33  1  15 o 231.9014 40.71056 14.31168       4.278984  11.43724       5.106183  21.09097       7.841716  198.7187 53.45647 261.7644 64.17787 -63.04567      83.52480 
1 1 1 33  1  16 o 238.5408 37.65401 14.93878       4.084976  19.80083       7.767941  13.08022       4.802684  250.9533 65.20874 215.7364 48.50352 35.21698       81.26974 
1 1 1 33  1  17 o 219.5203 34.91666 12.55974       3.484837  13.33075       5.023552  11.84455       4.838276  215.5465 50.43947 202.5229 50.85769 13.02359       71.62852 
1 1 1 33  1  18 o 301.1166 27.16657 22.70154       3.806595  30.16471       5.544280  16.04616       5.235643  340.8529 35.07962 237.6689 48.47313 103.1840       59.83497 
1 1 1 33  1  19 o 158.8340 48.41566 7.333284       3.944997  6.278241       6.358931  7.993423       5.029984  150.5400 59.90271 162.6142 55.15117 -12.07419      81.42473 
1 1 1 33  1  20 o 167.6833 52.42125 8.586582       4.590964  2.298157       6.276878  15.82045       6.732218  126.6205 55.39919 217.9162 62.45658 -91.29569      83.48589 
1 1 1 33  1  21 f 105.7865 47.05115 0.4979365      4.705858  -3.436386      6.814539  4.084424       6.506331  106.8098 50.62944 134.5581 57.62761 -27.74826      76.70907 
1 1 1 33  1  22 o 103.5840 45.97785 0.6754367      4.471556  3.451249       6.325203  -2.097800      6.322269  128.3870 55.90656 105.9776 49.78418 22.40939       74.85992 
1 1 1 33  1  23 f 94.32635 43.24162 -0.7021450     4.344190  -1.853746      6.224474  0.3914983      6.065821  104.3750 49.14581 111.4603 51.09639 -7.085304      70.89536 
1 1 1 33  3  0  o 136.0448 54.51762 3.475581       5.304524  3.475581       5.304524  0.000000       0.000000  136.0448 54.51762 ?        ?        0.000000       54.51762 
1 1 1 33  3  1  o 135.2079 43.61210 4.676697       3.156531  0.2272592      6.045672  6.344193       3.701045  123.4050 54.17107 154.5610 46.84626 -31.15601      71.61757 
1 1 1 33  3  2  o 262.3153 28.97832 17.01201       3.516035  15.07729       6.782320  17.72306       4.111692  228.8562 61.62752 265.6286 33.66136 -36.77238      70.22135 
1 1 1 33  3  3  o 107.6984 42.79185 1.921121       3.240568  -0.5980976     6.017472  2.950151       3.845876  119.3343 53.13307 121.8815 47.14851 -2.547211      71.03594 
1 1 1 33  3  4  o 321.5827 22.46586 25.02965       3.377130  23.71400       4.832370  26.28563       4.721525  307.4976 33.97543 325.4239 31.22694 -17.92627      46.14598 
1 1 1 33  3  5  o 201.8316 32.78173 10.30092       3.005569  10.08504       4.350723  10.49799       4.156929  192.8759 48.11263 198.0218 45.57199 -5.145889      66.26939 
1 1 1 33  3  6  o 300.6740 28.22701 22.28252       3.945627  26.83712       4.988957  14.67598       6.447299  327.6808 32.80679 226.1193 59.72472 101.5615       68.14197 
1 1 1 33  3  7  o 77.29925 37.32357 -5.667516      4.097026  0.000000       0.000000  -5.667516      4.097026  ?        ?        77.29925 37.32357 0.000000       37.32357 
1 1 1 33  3  8  o 101.4820 42.17701 1.126915       3.319911  8.368015       5.728938  -2.534275      4.073643  173.3702 58.85810 89.04984 41.19959 84.32038       71.84485 
1 1 1 33  3  9  o 267.6472 27.33659 17.69927       3.393417  14.06985       4.655940  21.81181       4.956150  229.3355 44.76516 291.9888 36.90781 -62.65331      58.01815 
1 1 1 33  3  10 o 145.7976 45.41325 5.675210       3.449055  5.677452       4.445810  5.671820       5.466184  147.4713 51.77325 150.6794 56.71430 -3.208008      76.79180 
1 1 1 33  3  11 o 194.5839 41.09940 10.07708       3.643987  12.40335       4.686951  6.521998       5.794097  212.3037 48.05149 157.5207 58.56617 54.78304       75.75581 
1 1 1 33  3  12 o 242.5855 30.45104 14.80627       3.398280  19.80450       5.078692  10.75419       4.572805  274.7350 40.51379 196.1455 49.54554 78.58943       64.00099 
1 1 1 33  3  13 o 362.8485 23.59550 32.16243       4.005504  32.13907       5.690484  32.18537       5.639142  355.4109 34.47022 355.9542 34.09541 -0.5433044     48.48395 
1 1 1 33  3  14 o 493.6771 23.50316 59.35641       5.458064  68.14555       6.836459  43.90607       9.064150  524.7794 27.79300 400.5107 49.14190 124.2687       56.45686 
1 1 1 33  3  15 o 214.8410 35.49411 11.99406       3.461827  10.48723       4.822846  13.59558       4.972089  190.8788 52.20686 220.0645 49.25903 -29.18565      71.77750 
1 1 1 33  3  16 o 257.6758 36.05859 17.26171       4.250990  28.80202       8.626616  13.56069       4.885318  309.1901 61.47712 219.5985 48.58017 89.59160       78.35476 
1 1 1 33  3  17 o 147.4609 44.72556 6.025740       3.372679  12.90549       4.955198  0.8774953E-01  4.603567  211.8125 50.45322 105.9506 46.85797 105.8619       68.85635 
1 1 1 33  3  18 o 106.6125 42.84563 2.095288       3.286571  1.335787       4.629662  2.866884       4.666383  112.5602 48.41971 122.5382 50.37742 -9.977966      69.87383 
1 1 1 33  3  19 o 108.5064 44.53442 2.047342       3.639148  1.764863       5.965339  2.214784       4.592773  123.4385 54.00695 116.8426 49.15723 6.595917       73.02866 
1 1 1 33  3  20 o 123.0904 46.89277 3.830965       3.764844  0.6661713      6.287443  5.599958       4.700721  119.0813 53.56659 140.6025 52.65762 -21.52120      75.11461 
1 1 1 33  3  21 o 152.5521 53.76819 7.246902       4.798440  5.873960       6.837745  8.579073       6.735451  144.4804 60.32885 160.2232 62.27982 -15.74275      86.70840 
1 1 1 33  3  22 o 177.0700 52.38411 10.08081       4.669375  13.96849       6.732479  6.477408       6.481649  194.8184 63.75326 144.4430 59.37673 50.37540       87.12103 
1 1 1 33  3  23 o 111.2262 50.93307 0.4890013      6.004368  0.4890013      6.004368  0.000000       0.000000  111.2262 50.93307 ?        ?        0.000000       50.93307 
1 1 1 33  3  24 o 155.0789 60.40998 9.402498       6.347551  9.402498       6.347551  0.000000       0.000000  155.0789 60.40998 ?        ?        0.000000       60.40998 
1 1 1 33  5  0  o 223.4810 52.87410 13.85564       5.471637  19.05470       6.543737  1.772295       9.976010  261.7079 54.90630 155.0841 68.76382 106.6238       87.99525 
1 1 1 33  5  1  o 236.4150 40.44139 14.52835       4.335843  37.99049       7.536136  2.919158       5.301098  383.0492 42.54257 132.0466 53.92123 251.0026       68.68311 
1 1 1 33  5  2  o 226.0151 32.42827 12.85970       3.348929  7.865636       6.478508  14.68083       3.912171  171.4189 62.22853 240.1635 35.71645 -68.74467      71.74995 
1 1 1 33  5  3  o 262.6710 28.62618 17.06768       3.479811  19.75030       6.866801  16.14073       4.036491  265.6195 56.68419 252.4065 34.93294 13.21300       66.58384 
1 1 1 33  5  4  o 183.9093 35.56764 8.700855       2.965718  13.20198       4.465104  5.147565       3.967220  223.1931 44.09254 142.2439 48.96498 80.94911       65.89174 
1 1 1 33  5  5  o 420.2190 28.52284 43.43655       5.604780  43.43655       5.604780  0.000000       0.000000  420.2190 28.52284 ?        ?        0.000000       28.52284 
1 1 1 33  5  6  o 86.57430 38.64464 -0.8157228     3.204952  -0.8757432     5.359972  -0.7823212     3.998496  111.2308 49.78961 97.02338 43.24718 14.20744       65.94940 
1 1 1 33  5  7  o 481.4777 20.69319 55.77575       4.686763  67.62783       8.372099  50.36623       5.656088  519.0051 34.48835 453.5222 26.62917 65.48288       43.57246 
1 1 1 33  5  8  o 204.0274 34.48163 10.65842       3.191436  18.38404       4.818933  4.622645       4.259421  266.1180 39.71065 137.7776 50.39016 128.3404       64.15687 
1 1 1 33  5  9  o 406.7509 19.88778 39.78582       3.805258  35.86938       5.450238  43.51059       5.315197  379.3970 30.80482 420.7422 26.99806 -41.34518      40.96135 
1 1 1 33  5  10 o 215.9532 31.98981 11.82397       3.151385  8.245101       4.573113  15.06037       4.348805  171.5832 52.08898 239.7708 39.96380 -68.18764      65.65339 
1 1 1 33  5  11 o 191.3467 41.29847 9.777061       3.608272  7.526678       4.610927  13.33234       5.795581  164.2256 52.68301 214.3067 56.63579 -50.08104      77.35059 
1 1 1 33  5  12 o 110.2989 44.10216 2.143152       3.462849  5.433296       4.429843  -3.026160      5.552611  144.4089 51.57956 102.7714 47.74073 41.63747       70.28249 
1 1 1 33  5  13 o 182.0712 44.66436 9.074476       3.796446  7.028146       4.623192  13.31153       6.652521  158.9005 52.87100 208.9142 62.69186 -50.01373      82.00983 
1 1 1 33  5  14 o 108.5527 42.26591 2.335203       3.106070  1.461724       4.383347  3.216135       4.402005  113.1080 47.82776 125.4852 49.86943 -12.37724      69.09743 
1 1 1 33  5  15 o 147.7439 44.20533 5.968482       3.311195  5.427889       4.471828  6.624623       4.926610  143.3496 51.75222 154.5351 54.48000 -11.18552      75.14228 
1 1 1 33  5  16 o 157.9515 42.44388 6.850243       3.221104  6.768319       4.361907  6.948501       4.776998  154.8430 51.34733 156.4990 53.73848 -1.656082      74.32612 
1 1 1 33  5  17 o 105.0485 44.95576 1.014663       3.954214  3.305589       7.676688  0.1873186      4.613298  142.0141 61.71521 106.3886 46.98677 35.62547       77.56625 
1 1 1 33  5  18 o 257.6146 36.61034 17.51649       4.311708  25.16350       7.121339  13.09083       5.417581  292.8963 53.66430 208.2774 54.62148 84.61893       76.57260 
1 1 1 33  5  19 o 361.1640 26.77309 32.73717       4.516155  32.75863       7.190559  32.72320       5.803640  341.7912 45.88168 353.0050 35.42822 -11.21381      57.96799 
1 1 1 33  5  20 o 156.0473 48.80896 7.260840       3.979465  11.83710       6.490082  4.503746       5.037565  186.1571 62.64884 132.7976 53.15928 53.35948       82.16317 
1 1 1 33  5  21 o 181.9410 45.32465 9.752868       3.864776  19.88704       6.631966  4.541600       4.755759  247.5893 57.96563 130.4424 51.83608 117.1469       77.76241 
1 1 1 33  5  22 o 96.58847 46.32401 -4.313318      6.061643  -4.313318      6.061643  0.000000       0.000000  96.58847 46.32401 ?        ?        0.000000       46.32401 
1 1 1 33  5  23 f 124.8242 54.79009 3.552319       6.183651  3.552319       6.183651  0.000000       0.000000  124.8242 54.79009 ?        ?        0.000000       54.79009 
1 1 1 33  7  0  o 122.8335 43.05639 3.666149       3.074221  12.43758       6.673208  1.303115       3.463654  204.8864 63.06185 104.2634 43.18567 100.6230       76.43166 
1 1 1 33  7  1  o 123.6921 43.96489 3.668504       3.214696  14.99406       6.834376  0.4508214      3.642845  225.4841 62.34494 100.2031 43.02287 125.2810       75.74865 
1 1 1 33  7  2  o 262.6609 28.48473 17.10030       3.463063  24.32224       7.134335  14.87413       3.961010  297.3694 52.94275 241.1600 36.02059 56.20932       64.03451 
1 1 1 33  7  3  o 255.9553 28.34128 16.23778       3.355072  16.53686       6.622391  16.13451       3.891445  239.6322 59.11514 252.6127 33.58019 -12.98056      67.98698 
1 1 1 33  7  4  o 249.4053 30.87455 15.57233       3.544826  21.52497       7.679537  13.96060       3.996010  272.4353 61.39477 232.5415 37.83113 39.89381       72.11458 
1 1 1 33  7  5  o 257.8669 29.95164 16.58516       3.565494  16.79548       6.182561  16.48036       4.364372  244.2100 55.12584 252.9306 37.84486 -8.720627      66.86623 
1 1 1 33  7  6  o 201.6174 37.48355 10.55754       3.424137  9.021998       5.755579  11.39876       4.260036  178.2410 58.97671 205.6045 45.27158 -27.36353      74.34896 
1 1 1 33  7  7  o 146.3993 41.04765 5.694662       2.940892  3.935181       4.303319  7.236497       4.028379  131.9590 50.16704 162.5867 48.78350 -30.62770      69.97544 
1 1 1 33  7  8  o 209.2717 31.82475 11.09772       3.034168  12.07860       4.440844  10.23892       4.155300  210.9414 46.04652 193.7462 46.23641 17.19516       65.25403 
1 1 1 33  7  9  f 203.5552 32.23564 10.54123       2.983823  15.39812       4.465950  6.624924       4.010261  242.0181 40.67060 155.7785 49.04194 86.23956       63.71193 
1 1 1 33  7  10 o 116.3678 41.42186 3.233402       2.854553  0.9712824E-01  4.076598  6.250561       3.998434  102.2209 44.68684 151.7161 49.10025 -49.49517      66.39088 
1 1 1 33  7  11 o 139.5835 41.92728 5.192113       2.974424  6.515192       4.332536  4.012556       4.090807  154.3181 51.17420 130.6699 49.08649 23.64822       70.91039 
1 1 1 33  7  12 o 108.0007 46.70535 0.6302828      4.353943  0.6302828      4.353943  0.000000       0.000000  108.0007 46.70535 ?        ?        0.000000       46.70535 
1 1 1 33  7  13 o 274.3676 27.68963 18.73253       3.524826  23.33854       5.096854  14.51024       4.879933  300.5754 36.81763 229.9204 46.71310 70.65503       59.47815 
1 1 1 33  7  14 o 131.5291 43.00478 4.560124       3.063646  0.8721349      4.343368  8.211929       4.322009  108.8679 46.86497 170.1343 50.41319 -61.26640      68.83179 
1 1 1 33  7  15 o 119.5598 43.45316 3.464526       3.160245  3.233037       4.361763  3.720331       4.585122  124.6845 49.61263 129.6664 51.09647 -4.981934      71.21982 
1 1 1 33  7  16 o 156.4958 41.62166 6.717797       3.117241  8.585593       4.360310  4.765186       4.458209  172.4361 50.50986 136.6795 51.26307 35.75661       71.96630 
1 1 1 33  7  17 o 176.9815 44.35495 8.780727       3.685351  2.685791       5.659700  13.26737       4.855897  127.7399 54.19907 215.0636 49.08158 -87.32372      73.12005 
1 1 1 33  7  18 o 113.9717 47.91669 2.001818       4.359073  0.000000       0.000000  2.001818       4.359073  ?        ?        113.9717 47.91669 0.000000       47.91669 
1 1 1 33  7  19 o 209.5042 37.63015 11.86741       3.572193  11.95006       5.346429  11.80075       4.801138  195.4190 55.54045 198.1562 51.15636 -2.737122      75.50970 
1 1 1 33  7  20 o 169.4887 45.60281 8.436031       3.715575  8.561237       5.853341  8.351531       4.808599  162.0089 59.09830 162.9675 53.90625 -0.9586334     79.99058 
1 1 1 33  7  21 o 156.1939 50.38570 7.612773       4.213115  11.04043       5.910685  4.072533       6.006971  178.3767 59.78820 130.8417 55.68626 47.53503       81.70428 
1 1 1 33  7  22 o 75.91013 36.56342 -4.088230      3.873167  -7.193818      5.588291  -1.217301      5.373020  84.51356 41.42532 100.9585 46.91976 -16.44495      62.59010 
1 1 1 33  7  23 o 119.3033 52.52554 2.959869       5.720978  2.959869       5.720978  0.000000       0.000000  119.3033 52.52554 ?        ?        0.000000       52.52554 
1 1 1 33  9  0  o 87.36195 38.33426 -0.2387878     3.024894  4.860286       6.356004  -1.731851      3.439359  148.3678 59.59869 84.15250 38.54013 64.21534       70.97426 
1 1 1 33  9  1  o 78.29333 35.76693 -1.489168      2.937556  -7.401903      6.232289  0.1996318      3.330754  95.92354 46.24650 94.40932 40.83904 1.514214       61.69737 
1 1 1 33  9  2  o 108.1347 46.68536 0.5880024      4.335640  0.000000       0.000000  0.5880024      4.335640  ?        ?        108.1347 46.68536 0.000000       46.68536 
1 1 1 33  9  3  o 83.71585 38.63110 -2.131162      3.547273  0.000000       0.000000  -2.131162      3.547273  ?        ?        83.71585 38.63110 0.000000       38.63110 
1 1 1 33  9  4  o 238.9683 35.37793 14.63163       3.856707  0.000000       0.000000  14.63163       3.856707  ?        ?        238.9683 35.37793 0.000000       35.37793 
1 1 1 33  9  5  o 84.56565 38.19241 -1.158291      3.233614  11.29608       7.115588  -4.399735      3.630105  193.9905 65.59687 75.04802 35.95485 118.9425       74.80441 
1 1 1 33  9  6  o 266.9058 30.53972 17.85225       3.765338  16.70333       7.320251  18.26560       4.390723  234.9287 64.34548 267.0272 35.86157 -32.09846      73.66405 
1 1 1 33  9  7  o 185.1940 36.49656 8.938834       3.066363  11.64419       4.496240  6.586483       4.192645  205.9533 47.39407 155.3609 50.27842 50.59233       69.09499 
1 1 1 33  9  8  o 82.92110 36.57419 -0.3886144     2.786179  -1.145576      3.786179  0.5054544      4.114808  91.79018 41.40287 105.1398 45.43645 -13.34961      61.47087 
1 1 1 33  9  9  o 142.7188 41.77025 5.441611       2.983046  -0.9445096     3.959021  13.82905       4.537159  94.90965 42.61554 226.7105 44.13216 -131.8008      61.34926 
1 1 1 33  9  10 o 97.26915 39.56763 1.348840       2.840698  1.541507       4.034101  1.159339       4.000812  110.9664 46.33699 108.0351 45.68849 2.931351       65.07346 
1 1 1 33  9  11 o 97.82522 41.77304 0.6190401      3.400699  -0.7480708     4.083512  3.712842       6.142968  97.25927 43.50252 139.6635 57.65285 -42.40418      72.22410 
1 1 1 33  9  12 o 148.6304 40.63990 5.939599       2.922986  6.963326       4.149067  4.930873       4.118555  158.2322 49.89227 138.5207 49.70688 19.71153       70.42735 
1 1 1 33  9  13 o 105.3005 43.28443 1.602802       3.444239  -0.1639871     4.262660  4.925684       5.845824  102.0721 45.11880 144.8683 57.50151 -42.79620      73.08987 
1 1 1 33  9  14 o 163.9028 39.94175 7.251696       3.051344  7.009922       4.302274  7.496409       4.328349  157.6752 50.92153 162.4544 50.91836 -4.779221      72.01168 
1 1 1 33  9  15 o 89.51897 38.88579 0.1603477      3.045110  -1.819487      4.178463  2.402774       4.446939  92.05271 42.27642 118.8869 49.06256 -26.83414      64.76443 
1 1 1 33  9  16 o 321.0886 26.86357 25.73096       4.020214  37.99049       6.933397  19.52159       4.934382  378.6397 39.50887 270.1927 40.03453 108.4471       56.24690 
1 1 1 33  9  17 o 167.7830 43.41722 7.903507       3.453008  7.009513       5.483512  8.490939       4.444984  154.9161 57.09586 169.4117 51.33719 -14.49556      76.78180 
1 1 1 33  9  18 o 89.12757 39.63349 -0.2746434     3.337387  -5.535078      5.119313  3.613516       4.401218  87.15681 41.99405 124.9308 49.79684 -37.77399      65.14005 
1 1 1 33  9  19 o 129.6052 51.30954 4.265736       4.643412  0.000000       0.000000  4.265736       4.643412  ?        ?        129.6052 51.30954 0.000000       51.30954 
1 1 1 33  9  20 o 249.4253 42.35664 17.59196       4.791964  9.738407       6.569456  26.52200       7.005237  167.2916 62.32961 294.9054 52.41821 -127.6138      81.44107 
1 1 1 33  9  21 o 215.3473 45.58876 13.77120       4.474226  16.94411       6.517056  10.94233       6.153597  220.2578 60.87241 174.3754 60.92807 45.88239       86.12595 
1 1 1 33  9  22 o 210.9958 47.69563 13.78260       4.622696  17.96671       6.680057  9.937575       6.403659  222.0169 61.72824 162.1726 61.30659 59.84431       86.99928 
1 1 1 33  11 0  o 270.6162 26.30801 18.12645       3.306637  29.46790       7.466515  15.35939       3.688016  326.7776 50.17708 245.6125 32.73582 81.16507       59.91138 
1 1 1 33  11 1  o 280.4798 26.35284 19.45023       3.436180  33.23425       7.886981  16.22083       3.817542  348.2965 49.53419 252.5313 32.91940 95.76517       59.47540 
1 1 1 33  11 2  o 265.3680 29.52688 17.62813       3.623334  0.000000       0.000000  17.62813       3.623334  ?        ?        265.3680 29.52688 0.000000       29.52688 
1 1 1 33  11 3  o 144.3058 45.35883 5.593657       3.432034  0.000000       0.000000  5.593657       3.432034  ?        ?        144.3058 45.35883 0.000000       45.35883 
1 1 1 33  11 4  o 208.9355 35.50667 11.28657       3.364848  11.20393       7.417012  11.30799       3.775757  191.7201 66.89643 206.5900 40.30025 -14.86992      78.09765 
1 1 1 33  11 5  o 296.6654 27.29976 21.79179       3.766993  19.48276       7.739759  22.50855       4.312205  252.8833 64.77612 299.3792 31.07284 -46.49593      71.84335 
1 1 1 33  11 6  o 85.92368 38.12149 -0.5341271     3.070569  2.576695       6.378071  -1.472646      3.503268  135.1261 57.44210 86.29118 39.28017 48.83495       69.58826 
1 1 1 33  11 7  o 134.3347 45.73611 4.668805       3.459331  -2.511594      6.124587  8.032765       4.192064  110.2419 50.83283 169.7172 49.47224 -59.47527      70.93292 
1 1 1 33  11 8  o 584.5956 17.31466 81.85623       4.761446  77.46967       6.664050  86.43111       6.805585  563.1034 25.15828 595.5326 24.29353 -32.42920      34.97305 
1 1 1 33  11 9  o 138.3275 48.98065 4.921963       3.986411  0.5514269      5.067813  12.01546       6.456295  114.2814 49.89529 199.4783 62.13318 -85.19696      79.68734 
1 1 1 33  11 10 o 332.7434 27.25680 27.41249       4.228889  26.03113       5.058594  30.61831       7.706290  319.7307 34.16264 332.7541 50.84656 -13.02338      61.25731 
1 1 1 33  11 11 o 84.04907 37.05535 -0.3326353     2.856870  2.750497       4.048699  -3.390090      4.031804  119.5752 47.72987 83.98589 39.54788 35.58935       61.98528 
1 1 1 33  11 12 o 73.53864 34.11236 -1.943273      2.819608  -3.680798      3.858492  0.4780487E-01  4.130440  80.43822 38.11969 101.8241 44.73486 -21.38590      58.77345 
1 1 1 33  11 13 o 298.2561 24.55520 21.91936       3.414493  22.31639       4.794139  21.51063       4.864268  294.0571 35.36785 287.6256 36.79520 6.431488       51.03696 
1 1 1 33  11 14 o 185.3607 41.24332 9.343849       3.503441  10.11621       4.401417  8.008324       5.787727  188.1221 49.18362 165.1891 58.96201 22.93303       76.78246 
1 1 1 33  11 15 o 82.75288 37.69311 -1.268157      3.232309  -0.7517837     5.089746  -1.617173      4.184434  106.0171 47.89502 92.71417 42.47920 13.30289       64.01887 
1 1 1 33  11 16 o 206.9148 37.71230 11.46253       3.535413  14.55113       5.753911  9.589263       4.481070  218.8546 55.73866 180.4100 50.69869 38.44460       75.34689 
1 1 1 33  11 17 f 115.6676 44.14285 3.163159       3.339938  0.4667063E-01  4.949431  5.768902       4.525728  107.2227 47.93087 142.8275 51.98638 -35.60477      70.71033 
1 1 1 33  11 18 o 239.0724 36.06747 15.28768       3.930003  20.93936       6.369017  11.81270       4.994134  263.2272 53.26527 195.8673 52.94136 67.35991       75.09978 
1 1 1 33  11 19 o 117.4536 47.93098 3.032634       4.185269  -0.7728895     5.943915  6.774673       5.894128  109.3150 50.28498 148.4038 58.10084 -39.08879      76.83936 
1 1 1 33  11 20 o 157.8397 60.11538 8.564210       6.186368  0.000000       0.000000  8.564210       6.186368  ?        ?        157.8397 60.11538 0.000000       60.11538 
1 1 1 33  13 0  o 141.3623 41.06013 5.382025       2.892258  0.000000       0.000000  5.382025       2.892258  ?        ?        141.3623 41.06013 0.000000       41.06013 
1 1 1 33  13 1  o 263.7218 29.48030 17.46094       3.594615  0.000000       0.000000  17.46094       3.594615  ?        ?        263.7218 29.48030 0.000000       29.48030 
1 1 1 33  13 2  o 416.2291 23.53098 42.31806       4.588378  0.000000       0.000000  42.31806       4.588378  ?        ?        416.2291 23.53098 0.000000       23.53098 
1 1 1 33  13 3  o 136.3264 42.50241 4.944911       3.020293  2.129905       6.708104  5.660671       3.382548  134.3325 58.03291 144.7225 44.95604 -10.39008      73.40888 
1 1 1 33  13 4  o 127.5298 43.53950 4.154580       3.135106  -2.611772      6.599286  6.126774       3.562825  113.7124 52.54954 149.9517 46.06585 -36.23933      69.88216 
1 1 1 33  13 5  o 119.4147 43.99800 3.323696       3.255879  2.439061       6.604369  3.607726       3.742235  135.4216 58.03046 124.9752 46.94838 10.44634       74.64372 
1 1 1 33  13 6  o 405.9772 21.61271 40.00123       4.112572  33.73960       8.277486  42.05350       4.738842  348.3768 52.11105 414.5416 24.40932 -66.16479      57.54456 
1 1 1 33  13 7  o 246.0648 31.12104 15.29793       3.521705  20.73127       7.675721  13.84921       3.963502  261.9567 63.05072 230.2439 37.91505 31.71286       73.57272 
1 1 1 33  13 8  o 125.3846 45.27191 3.842877       3.422186  -1.971165      6.829247  5.792367       3.954524  117.8377 54.09235 146.4563 48.90484 -28.61852      72.92233 
1 1 1 33  13 9  o 83.72210 38.02295 -1.289721      3.258604  -2.102997      3.936856  0.4797860      5.807062  88.43199 40.76878 119.7314 52.80641 -31.29943      66.71290 
1 1 1 33  13 10 o 167.5638 38.23459 7.478807       2.947195  3.664905       4.035742  11.83696       4.314094  126.6779 48.48085 207.5649 45.44405 -80.88705      66.44963 
1 1 1 33  13 11 o 257.9867 26.94436 16.57474       3.221652  15.28163       4.607287  17.81194       4.506589  238.1636 42.69280 260.9066 37.82196 -22.74309      57.03662 
1 1 1 33  13 12 o 120.1851 40.92343 3.690871       2.769608  1.434159       3.912024  5.958677       3.921628  108.0135 45.40147 146.9556 48.68483 -38.94212      66.56956 
1 1 1 33  13 13 o 389.9163 20.83735 36.99483       3.808095  31.48639       5.337558  42.70554       5.434676  351.1829 32.68551 413.4724 28.10893 -62.28952      43.10980 
1 1 1 33  13 14 o 143.5523 48.11170 5.736819       3.827436  6.822236       5.154207  4.402497       5.714705  154.1965 55.57720 138.3248 56.17781 15.87175       79.02386 
1 1 1 33  13 15 o 304.0535 32.77961 23.85280       4.614248  25.06540       6.377625  22.52081       6.684233  298.8842 46.90558 276.7482 53.27832 22.13605       70.98389 
1 1 1 33  13 16 o 158.3332 46.13625 7.239400       3.646390  10.82640       5.815555  4.915676       4.680776  183.5586 59.19554 136.0369 52.17612 47.52167       78.90792 
1 1 1 33  13 17 o 199.5135 47.44125 11.66924       4.387301  12.17896       5.804360  10.98989       6.700934  193.1857 58.69181 179.1680 63.49736 14.01775       86.46759 
1 1 1 33  13 18 o 299.1341 28.50393 22.93964       3.962366  21.67955       6.524850  23.67583       4.987287  264.5183 54.25817 296.4179 36.54132 -31.89957      65.41573 
1 1 1 33  13 19 o 120.4271 46.99289 3.767426       3.846172  -0.9197384     5.309741  8.941737       5.578848  102.7942 47.37479 162.4080 57.89688 -59.61381      74.80923 
1 1 1 33  13 20 o 131.5556 54.74978 4.854341       5.605010  0.000000       0.000000  4.854341       5.605010  ?        ?        131.5556 54.74978 0.000000       54.74978 
1 1 1 33  15 0  o 151.4268 39.28503 6.180965       2.822276  0.000000       0.000000  6.180965       2.822276  ?        ?        151.4268 39.28503 0.000000       39.28503 
1 1 1 33  15 1  o 160.7250 36.14615 6.831856       2.666564  8.974436       7.084493  6.478208       2.878231  173.8523 64.73610 155.1397 39.37324 18.71260       75.76949 
1 1 1 33  15 2  o 237.4619 28.97162 14.17418       3.169106  1.280024       6.518650  18.16496       3.626519  128.3157 56.29028 269.0857 29.11460 -140.7700      63.37394 
1 1 1 33  15 3  o 179.5461 39.07223 8.601392       3.206231  14.03389       7.135410  7.227040       3.588955  211.3086 65.23750 161.7538 45.34275 49.55489       79.44744 
1 1 1 33  15 4  o 131.9466 42.55504 4.598105       3.005439  14.20630       6.548513  2.034243       3.382743  215.7847 61.51644 108.2467 43.48011 107.5380       75.33121 
1 1 1 33  15 5  o 129.4232 42.90193 4.373201       3.045154  4.233056       6.240230  4.417006       3.488745  142.4342 58.37177 131.1841 45.87398 11.25011       74.24073 
1 1 1 33  15 6  o 211.8513 34.58253 11.60746       3.327410  5.543996       6.974818  13.39402       3.786007  153.0405 62.09501 226.6059 36.77825 -73.56541      72.16945 
1 1 1 33  15 7  o 159.9973 43.37562 7.010148       3.346527  12.02735       7.266595  5.659589       3.770135  195.5259 66.28842 144.4319 47.72978 51.09402       81.68407 
1 1 1 33  15 8  o 112.7788 45.76954 2.186102       3.790345  17.46433       7.675398  -2.741450      4.358932  234.3433 66.52734 90.43819 42.10709 143.9052       78.73306 
1 1 1 33  15 9  o 574.9858 44.34621 88.61475       11.90188  88.61475       11.90188  0.000000       0.000000  574.9858 44.34621 ?        ?        0.000000       44.34621 
1 1 1 33  15 10 o 153.5078 40.58525 6.407755       2.975317  6.529279       4.272039  6.293283       4.146247  152.5694 50.82628 150.2628 50.07308 2.306580       71.34861 
1 1 1 33  15 11 o 200.7056 33.88142 10.47891       3.084932  14.98570       4.545587  6.630708       4.200344  234.8092 42.72747 153.1280 50.36868 81.68120       66.05028 
1 1 1 33  15 12 o 225.8234 30.37526 13.01435       3.144862  10.71601       4.522187  15.16690       4.376409  192.5998 49.61051 237.2202 40.68356 -44.62039      64.15883 
1 1 1 33  15 13 o 189.6574 34.27497 9.461243       2.945307  6.873230       4.101707  12.21619       4.231931  154.4066 49.70522 209.2358 44.37262 -54.82921      66.62987 
1 1 1 33  15 14 o 125.3746 45.24324 4.107227       3.417165  9.423306       5.490002  0.7450661      4.366023  173.7158 57.60577 106.1310 46.32501 67.58482       73.92179 
1 1 1 33  15 15 o 302.4124 35.05224 24.09274       4.893913  28.51962       6.728460  19.12010       7.131159  317.3084 46.45384 241.6310 62.32917 75.67741       77.73599 
1 1 1 33  15 16 o 294.2617 35.22548 22.99824       4.779040  27.33651       6.655332  18.37991       6.866794  307.7386 47.50402 235.6804 61.34367 72.05817       77.58659 
1 1 1 33  15 17 o 123.8961 44.73677 4.211334       3.341821  14.67004       5.867837  -0.8093728     4.065571  211.6044 57.46572 92.94636 42.31182 118.6580       71.36245 
1 1 1 33  15 18 o 210.0119 43.75760 12.85031       4.182543  10.17836       5.824224  15.69560       6.010176  170.8911 59.29956 216.3347 57.91161 -45.44362      82.88663 
1 1 1 33  17 0  o 268.2740 20.95049 17.57234       2.622910  12.64269       6.822144  18.42742       2.841300  198.5971 64.12135 274.1370 22.22463 -75.53983      67.86369 
1 1 1 33  17 1  o 274.2785 28.11810 18.86814       3.576552  20.36861       6.989284  18.33585       4.162883  260.4742 58.47577 266.6706 33.95595 -6.196411      67.61968 
1 1 1 33  17 2  o 82.69283 35.56608 0.2296807      2.497202  -4.021998      6.320108  1.016252       2.718400  105.1244 49.50572 92.18520 38.22695 12.93920       62.54691 
1 1 1 33  17 3  o 306.3784 22.14998 22.95295       3.170769  20.28835       6.886891  23.66971       3.571859  261.3885 57.56662 309.7153 24.72274 -48.32684      62.65085 
1 1 1 33  17 4  o 144.7414 40.02494 5.671896       2.816613  12.40785       6.404122  4.056440       3.136228  199.6556 61.83133 125.5532 43.51770 74.10242       75.61021 
1 1 1 33  17 5  o 352.3722 21.72907 30.28478       3.584166  29.31332       7.974763  30.53069       4.012226  318.2528 55.27467 352.2039 24.36685 -33.95111      60.40722 
1 1 1 33  17 6  o 160.5086 41.84396 7.057911       3.191761  12.76159       6.673240  5.366087       3.634433  201.1183 63.25444 140.4900 46.88387 60.62827       78.73514 
1 1 1 33  17 7  o 136.1284 46.93622 4.953396       3.646003  9.768134       6.839842  3.042267       4.309281  177.7048 64.02648 122.4605 49.11523 55.24439       80.69508 
1 1 1 33  17 8  o 256.5902 29.38735 16.64099       3.483111  33.35315       8.242726  13.00811       3.843089  341.1018 53.09846 221.2763 38.30842 119.8254       65.47504 
1 1 1 33  17 9  o 204.3708 35.53542 10.98186       3.292223  22.72295       7.912356  8.523543       3.620513  268.8127 63.57120 174.8103 44.04708 94.00240       77.33979 
1 1 1 33  17 10 f 220.7233 32.90847 12.62268       3.312408  10.41617       7.847820  13.10099       3.653826  179.0655 67.82599 222.9635 36.06907 -43.89798      76.82020 
1 1 1 33  17 11 o 119.3902 45.26364 3.401580       3.497094  -5.725327      7.026588  6.406674       4.031919  104.6713 50.11434 149.6281 49.35482 -44.95685      70.33737 
1 1 1 33  17 12 o 152.4492 39.62602 6.411672       2.867888  9.200817       4.177680  3.925809       3.944011  177.3280 48.62649 125.7225 47.97162 51.60555       68.30675 
1 1 1 33  17 13 o 212.5708 35.26436 12.01157       3.402628  6.465518       5.158546  16.28303       4.527130  148.6836 55.26475 243.5750 40.96528 -94.89136      68.79205 
1 1 1 33  17 14 o 87.23647 38.52944 -0.5472057E-01 3.102276  3.974436       4.850475  -2.843837      4.035623  128.5144 51.90861 84.13538 39.60265 44.37906       65.29068 
1 1 1 33  17 15 o 88.42970 38.57309 0.3222834      3.022616  -2.210167      4.659152  2.162718       3.971884  92.92567 43.35463 110.1180 45.98010 -17.19228      63.19647 
1 1 1 33  17 16 o 134.3762 47.89320 5.275158       3.817322  0.7449465      4.918105  12.14031       6.054296  107.7791 48.00807 186.9277 60.41054 -79.14861      77.16351 
1 1 1 33  19 0  o 294.8162 19.39008 21.15360       2.674055  19.58086       6.907223  21.43087       2.900209  251.0977 59.40597 295.9142 20.97086 -44.81648      62.99878 
1 1 1 33  19 1  o 294.2260 19.75655 21.08470       2.718533  9.768134       6.741857  23.28200       2.970757  175.0764 63.49228 308.7994 20.56901 -133.7230      66.74094 
1 1 1 33  19 2  o 120.9436 37.98124 3.882530       2.406997  6.798455       6.196952  3.364451       2.612088  154.8455 59.86356 114.9063 39.72150 39.93916       71.84319 
1 1 1 33  19 3  o 116.2833 39.66485 3.478273       2.601917  3.629608       6.414676  3.448471       2.846605  136.7496 57.84321 116.9034 41.39064 19.84618       71.12680 
1 1 1 33  19 4  o 112.2718 39.64448 3.137979       2.609810  1.442331       6.111370  3.516174       2.886217  123.9929 54.44600 117.8371 41.68230 6.155777       68.56953 
1 1 1 33  19 5  o 110.6049 42.49826 2.695630       3.108880  5.674792       6.454979  1.795863       3.547421  148.4230 59.90569 106.4220 43.85803 42.00107       74.24432 
1 1 1 33  19 6  f 250.3682 31.32295 16.07973       3.608291  12.58918       7.154143  17.27061       4.178724  194.5901 65.77447 256.6414 35.57001 -62.05133      74.77637 
1 1 1 33  19 7  o 178.9851 38.05346 8.655365       3.105248  19.23009       7.576885  6.520665       3.404275  242.3019 65.09087 152.0364 44.65768 90.26549       78.93750 
1 1 1 33  19 8  o 239.0721 29.56104 14.58216       3.253597  22.73187       7.880465  12.90749       3.572279  265.5416 63.86909 221.0297 35.56403 44.51186       73.10309 
1 1 1 33  19 9  o 235.5801 30.67118 14.27291       3.318308  12.72889       7.109872  14.70290       3.752019  193.6193 65.57004 236.3922 34.78106 -42.77286      74.22366 
1 1 1 33  19 10 o 206.1003 32.31136 11.09374       3.029608  14.69382       6.305216  10.01309       3.454517  213.1865 60.21967 190.9030 39.75991 22.28349       72.16134 
1 1 1 33  19 11 o 112.9490 43.63120 2.958585       3.289855  0.000000       0.000000  2.958585       3.289855  ?        ?        112.9490 43.63120 0.000000       43.63120 
1 1 1 33  19 12 o 342.9590 30.44795 30.29506       4.861043  0.000000       0.000000  30.29506       4.861043  ?        ?        342.9590 30.44795 0.000000       30.44795 
1 1 1 33  19 13 o 75.77045 35.13645 -1.682665      2.987967  -1.709572      4.678165  -1.664126      3.883242  95.13200 44.06189 87.07683 40.26510 8.055168       59.68859 
1 1 1 33  19 14 o 140.7007 44.57540 5.811386       3.308849  4.661118       5.385132  6.509051       4.193924  132.6861 54.28346 145.9169 50.33799 -13.23087      74.03113 
1 1 1 33  21 0  o 276.8143 22.67341 18.99286       2.926499  0.000000       0.000000  18.99286       2.926499  ?        ?        276.8143 22.67341 0.000000       22.67341 
1 1 1 33  21 1  o 87.43753 35.54440 1.185596       2.290437  -0.4063615     5.738027  1.487328       2.498083  110.8353 50.38252 92.70286 37.31937 18.13245       62.69875 
1 1 1 33  21 2  o 258.6595 22.59496 16.56996       2.721625  14.73246       6.562807  16.95161       2.990940  210.5972 62.04699 260.3781 24.71557 -49.78090      66.78839 
1 1 1 33  21 3  o 101.8798 38.00859 2.397334       2.444475  3.424495       6.066665  2.198244       2.670890  131.5170 55.96771 101.4741 39.28107 30.04286       68.37680 
1 1 1 33  21 4  o 69.47833 32.82224 -2.541382      2.818529  3.011296       6.429998  -3.862041      3.135848  131.1439 56.73604 68.54562 32.98777 62.59824       65.62904 
1 1 1 33  21 5  o 338.1040 21.45541 28.10436       3.394696  15.75208       7.224077  31.60499       3.845757  213.7436 65.58408 357.4818 22.99155 -143.7382      69.49737 
1 1 1 33  21 6  o 220.9954 29.91509 12.59053       3.029944  14.15280       6.896684  12.21687       3.372886  203.1647 64.35310 214.6270 34.58293 -11.46227      73.05682 
1 1 1 33  21 7  o 272.7656 29.15601 19.04124       3.683045  12.34542       6.394944  22.36455       4.505263  191.3243 62.11150 292.2923 33.36461 -100.9680      70.50557 
1 1 1 33  21 8  o 164.6846 42.74791 7.745731       3.340562  8.929847       5.841269  7.170238       4.072214  165.8774 59.23130 154.7806 49.49482 11.09679       77.18863 
1 1 1 33  21 9  o 130.7164 44.76375 4.802179       3.313990  3.757432       5.926356  5.277504       3.997402  131.0876 55.53137 135.9690 48.95138 -4.881409      74.02682 
1 1 1 33  21 10 o 141.8396 44.45157 5.843736       3.298849  0.000000       0.000000  5.843736       3.298849  ?        ?        141.8396 44.45157 0.000000       44.45157 
1 1 1 33  23 0  o 101.9329 38.57597 2.467042       2.537162  -7.354341      5.841477  4.750611       2.816719  87.40005 42.73663 129.1742 41.14881 -41.77418      59.32659 
1 1 1 33  23 1  o 131.2153 38.08275 4.828504       2.488893  13.79013       6.057939  3.008626       2.729936  201.1495 59.70341 109.0086 40.26543 92.14095       72.01252 
1 1 1 33  23 2  o 140.2355 38.19145 5.523901       2.587455  0.2620690      5.643564  6.924327       2.911489  110.9948 50.26212 156.3707 39.55340 -45.37589      63.95899 
1 1 1 33  23 3  o 191.9857 33.73235 9.884926       2.935213  1.939358       5.836887  12.57430       3.395821  119.9814 52.92797 216.4098 34.51761 -96.42838      63.18889 
1 1 1 33  23 4  o 160.8321 35.62578 7.091161       2.624287  0.9509514      6.065884  8.505057       2.910793  116.8138 52.57406 176.0691 36.34917 -59.25535      63.91631 
1 1 1 33  23 5  o 79.56104 36.73638 -1.497959      3.215145  1.987218       6.082311  -2.849437      3.787570  121.4558 53.78070 80.46929 38.02483 40.98649       65.86540 
1 1 1 34  0  0  o 137.3010 68.36437 6.954433       5.358182  6.954433       5.358182  6.954433       5.358182  137.3010 68.36437 137.3010 68.36437 0.000000       0.000000 
1 1 1 34  0  1  o 506.1573 30.79978 61.73483       7.271150  61.73483       7.271150  61.73483       7.271150  506.1573 30.79978 506.1573 30.79978 0.000000       0.000000 
1 1 1 34  0  2  o 305.6533 58.62259 25.13377       7.531635  25.13377       7.531635  25.13377       7.531635  305.6533 58.62259 305.6533 58.62259 0.000000       0.000000 
1 1 1 34  0  3  o 406.6577 28.70228 39.94394       5.427705  39.94394       5.427705  39.94394       5.427705  406.6577 28.70228 406.6577 28.70228 0.000000       0.000000 
1 1 1 34  0  4  o 65.77141 44.49142 -1.761365      4.054702  -1.761365      4.054702  -1.761365      4.054702  65.77141 44.49142 65.77141 44.49142 0.000000       0.000000 
1 1 1 34  0  5  o 518.8302 35.31134 65.42807       8.526402  65.42807       8.526402  65.42807       8.526402  518.8302 35.31134 518.8302 35.31134 0.000000       0.000000 
1 1 1 34  0  6  o 262.2115 60.10434 19.24198       6.456656  19.24198       6.456656  19.24198       6.456656  262.2115 60.10434 262.2115 60.10434 0.000000       0.000000 
1 1 1 34  0  7  o 243.4920 63.51860 17.22652       6.286621  17.22652       6.286621  17.22652       6.286621  243.4920 63.51860 243.4920 63.51860 0.000000       0.000000 
1 1 1 34  0  8  o 181.2746 59.44274 10.25574       4.494475  10.25574       4.494475  10.25574       4.494475  181.2746 59.44274 181.2746 59.44274 0.000000       0.000000 
1 1 1 34  0  9  o 207.7849 53.28198 12.36619       4.501735  12.36619       4.501735  12.36619       4.501735  207.7849 53.28198 207.7849 53.28198 0.000000       0.000000 
1 1 1 34  0  10 o 259.0855 41.87292 17.44600       4.703451  17.44600       4.703451  17.44600       4.703451  259.0855 41.87292 259.0855 41.87292 0.000000       0.000000 
1 1 1 34  0  11 o 200.0493 54.81773 11.73875       4.460218  11.73875       4.460218  11.73875       4.460218  200.0493 54.81773 200.0493 54.81773 0.000000       0.000000 
1 1 1 34  0  12 o 294.6321 37.93195 21.99579       5.017777  21.99579       5.017777  21.99579       5.017777  294.6321 37.93195 294.6321 37.93195 0.000000       0.000000 
1 1 1 34  0  13 o 99.37980 63.88039 1.199465       6.829414  1.199465       6.829414  1.199465       6.829414  99.37980 63.88039 99.37980 63.88039 0.000000       0.000000 
1 1 1 34  0  14 o 204.4421 80.71825 14.96433       7.464872  14.96433       7.464872  14.96433       7.464872  204.4421 80.71825 204.4421 80.71825 0.000000       0.000000 
1 1 1 34  0  15 o 176.3005 64.44991 10.40841       4.928834  10.40841       4.928834  10.40841       4.928834  176.3005 64.44991 176.3005 64.44991 0.000000       0.000000 
1 1 1 34  0  17 o 83.44044 53.13710 1.047109       4.592452  1.047109       4.592452  1.047109       4.592452  83.44044 53.13710 83.44044 53.13710 0.000000       0.000000 
1 1 1 34  0  18 o 140.0845 63.79340 7.424817       4.559241  7.424817       4.559241  7.424817       4.559241  140.0845 63.79340 140.0845 63.79340 0.000000       0.000000 
1 1 1 34  0  19 o 82.92377 55.37336 -0.7363259     5.918736  -0.7363259     5.918736  -0.7363259     5.918736  82.92377 55.37336 82.92377 55.37336 0.000000       0.000000 
1 1 1 34  0  20 o 104.9156 66.31610 3.041023       7.001626  3.041023       7.001626  3.041023       7.001626  104.9156 66.31610 104.9156 66.31610 0.000000       0.000000 
1 1 1 34  0  21 o 148.6548 76.04641 9.756244       6.728258  9.756244       6.728258  9.756244       6.728258  148.6548 76.04641 148.6548 76.04641 0.000000       0.000000 
1 1 1 34  0  22 o 472.9705 44.06461 58.91796       9.608190  58.91796       9.608190  58.91796       9.608190  472.9705 44.06461 472.9705 44.06461 0.000000       0.000000 
1 1 1 34  2  0  f 243.3608 36.26905 15.25542       4.025161  17.66913       5.700575  12.85544       5.684335  253.3724 49.60431 210.8858 56.26082 42.48660       75.00578 
1 1 1 34  2  1  o 245.2063 36.58088 15.48977       4.090355  18.18704       5.854783  12.91800       5.716950  256.9137 50.24570 211.5691 56.41196 45.34460       75.54430 
1 1 1 34  2  2  o 167.5510 41.46144 7.513895       3.250082  9.212248       6.219503  6.875904       3.811962  178.8370 61.32290 158.7366 47.41589 20.10042       77.51622 
1 1 1 34  2  3  o 129.1530 41.18231 4.319439       2.820779  1.842129       4.057271  6.637164       3.924413  113.7342 46.89158 156.1181 48.41124 -42.38392      67.39783 
1 1 1 34  2  4  o 80.55230 36.79753 -1.544590      3.108915  -3.665280      5.135116  -0.3175107     3.906141  96.42601 45.15939 98.05325 43.27415 -1.627235      62.54617 
1 1 1 34  2  5  o 104.9429 42.18804 1.780932       3.187566  -2.527051      5.439269  4.034288       3.933856  103.9590 47.92482 130.4267 48.30384 -26.46770      68.04447 
1 1 1 34  2  6  f 179.1722 41.85210 8.615220       3.463670  5.711746       4.253356  14.33115       5.967828  146.8719 50.69193 222.3804 56.83523 -75.50848      76.15717 
1 1 1 34  2  7  o 259.4201 30.82727 16.93047       3.688267  14.95659       4.550479  20.71046       6.297118  237.0704 42.35920 273.4160 50.83182 -36.34557      66.16779 
1 1 1 34  2  8  o 260.0799 32.20922 17.13414       3.856260  15.89494       4.752887  19.52140       6.596866  243.8748 43.00213 261.1251 55.42059 -17.25031      70.14716 
1 1 1 34  2  9  o 287.8973 29.26477 20.72735       3.908158  20.41026       4.896036  21.28419       6.488141  280.0817 38.15412 275.5044 51.96927 4.577271       64.47125 
1 1 1 34  2  10 o 325.4365 28.23998 26.36343       4.280287  19.65220       7.491635  29.61589       5.215334  253.9899 63.00719 341.8326 32.83803 -87.84274      71.05098 
1 1 1 34  2  11 o 309.3130 24.91163 23.55953       3.593954  23.74342       5.036748  23.36878       5.129765  303.3919 35.99413 300.1515 37.12341 3.240417       51.70808 
1 1 1 34  2  12 o 126.6112 44.60941 4.064064       3.302670  6.581637       4.589801  1.360873       4.755993  153.8236 52.68023 115.3315 49.32843 38.49213       72.16994 
1 1 1 34  2  13 o 103.3411 44.02942 0.9482521      3.762661  2.905382       4.515803  -3.495838      6.804821  123.2777 49.98324 111.3112 52.08435 11.96655       72.18798 
1 1 1 34  2  14 f 271.3146 34.41880 18.99762       4.293969  14.09929       7.510143  21.37662       5.233842  207.7222 67.29882 283.5192 40.38504 -75.79700      78.48620 
1 1 1 34  2  15 o 256.1429 30.73719 16.70201       3.629565  16.62314       5.346099  16.76945       4.943472  242.6885 48.52520 247.3425 44.10518 -4.654037      65.57410 
1 1 1 34  2  16 o 109.8950 42.81299 2.554876       3.188393  1.773920       4.362844  3.450071       4.671057  113.1433 47.77225 126.6110 51.00977 -13.46764      69.88694 
1 1 1 34  2  17 o 98.03910 41.17527 1.175377       3.213355  3.204111       4.542645  -0.8564454     4.546099  123.3408 50.08866 99.44994 45.06575 23.89082       67.37801 
1 1 1 34  2  18 o 135.5912 47.21291 5.141227       3.693483  -6.412010      5.623944  13.90354       4.897773  89.49059 43.33946 217.8945 48.97586 -128.4039      65.39835 
1 1 1 34  2  19 o 107.9606 44.04480 2.248324       3.532877  3.757432       5.781732  1.349134       4.462965  130.6302 55.06640 108.9568 47.20247 21.67342       72.52849 
1 1 1 34  2  20 o 162.3118 54.58613 8.507972       4.927036  12.63080       6.842901  4.069561       7.099971  186.3170 64.29785 135.1773 59.03708 51.13974       87.29027 
1 1 1 34  2  21 o 138.2397 52.18242 5.874681       4.635067  7.954816       6.501543  3.724733       6.609744  152.1236 60.55878 129.5347 56.75713 22.58890       82.99842 
1 1 1 34  2  22 o 131.4680 57.26901 4.699763       6.642657  4.699763       6.642657  0.000000       0.000000  131.4680 57.26901 ?        ?        0.000000       57.26901 
1 1 1 34  2  23 o 161.4241 61.82314 10.66290       6.565705  10.66290       6.565705  0.000000       0.000000  161.4241 61.82314 ?        ?        0.000000       61.82314 
1 1 1 34  4  0  o 69.01433 33.71102 -6.013933      3.606230  -3.935443      5.270240  -7.843965      4.945221  96.55493 45.38855 80.74828 39.44975 15.80666       60.13654 
1 1 1 34  4  1  o 129.2064 44.60154 4.225841       3.292773  19.84542       7.015389  -0.1874608     3.729056  261.3336 58.52277 96.55803 42.46150 164.7756       72.30418 
1 1 1 34  4  2  o 252.5411 36.87048 16.46100       4.250961  0.000000       0.000000  16.46100       4.250961  ?        ?        252.5411 36.87048 0.000000       36.87048 
1 1 1 34  4  3  o 232.4955 49.07727 14.90409       5.198843  0.000000       0.000000  14.90409       5.198843  ?        ?        232.4955 49.07727 0.000000       49.07727 
1 1 1 34  4  4  o 370.1616 23.76589 33.43396       4.116359  33.88823       7.097063  33.20367       5.053164  358.7032 42.91236 365.2525 29.66676 -6.549255      52.16883 
1 1 1 34  4  5  o 232.7765 28.91645 13.55489       3.098095  17.33155       4.539182  10.26131       4.238946  258.0911 38.57151 192.9943 47.10538 65.09676       60.88249 
1 1 1 34  4  6  o 380.3866 20.73100 35.01859       3.695499  32.24973       5.193879  37.85751       5.259183  358.7675 31.08294 390.5165 28.83313 -31.74899      42.39692 
1 1 1 34  4  7  o 163.6833 43.70464 7.294586       3.428375  2.487603       4.236350  16.41796       5.836240  119.3383 48.40290 240.7804 52.96712 -121.4421      71.75204 
1 1 1 34  4  8  f 374.0532 24.59963 34.29476       4.304294  28.05683       5.243940  47.17598       7.535567  332.0833 34.05080 427.7063 37.84490 -95.62305      50.90868 
1 1 1 34  4  9  o 423.9398 23.08739 43.83814       4.586787  43.81625       5.752640  43.87634       7.599857  419.2773 29.35247 410.0402 39.90691 9.237030       49.53917 
1 1 1 34  4  10 o 296.7671 25.45326 21.73140       3.518884  23.89403       5.117627  19.79197       4.846355  304.1123 36.50319 275.1369 38.49969 28.97540       53.05384 
1 1 1 34  4  11 o 255.6652 29.01608 16.40678       3.427828  15.37934       4.761574  17.51204       4.938634  238.1537 44.12847 255.5951 42.57328 -17.44138      61.31726 
1 1 1 34  4  12 o 178.7785 45.54810 8.876095       3.841335  5.972983       4.682038  14.85434       6.718773  148.4563 53.02723 219.2492 62.24405 -70.79294      81.76923 
1 1 1 34  4  13 o 445.2085 21.08353 48.07179       4.415462  47.52373       6.245086  48.61962       6.243725  434.4589 30.75646 439.8227 30.36441 -5.363739      43.21987 
1 1 1 34  4  14 o 84.81630 38.05684 -0.7649908     3.151462  -2.811923      4.317677  1.568888       4.610390  89.23564 41.66744 114.6856 48.79719 -25.44995      64.16651 
1 1 1 34  4  15 o 267.3062 37.29668 18.81038       4.561981  20.96909       8.456095  17.92415       5.418082  250.5615 69.37509 253.0936 47.24644 -2.532043      83.93527 
1 1 1 34  4  16 o 140.1035 45.68221 5.451165       3.457885  7.325646       4.828614  3.477926       4.954179  157.8695 54.03352 128.1384 52.20351 29.73108       75.13206 
1 1 1 34  4  17 o 108.3688 44.60406 2.006332       3.663404  -2.056778      6.000303  4.420929       4.625580  107.3257 49.77721 132.4622 51.57752 -25.13644      71.67992 
1 1 1 34  4  18 o 148.8883 47.61259 6.462896       3.768351  10.09810       6.086276  4.202983       4.798806  175.3914 60.63266 130.4242 51.99399 44.96718       79.87299 
1 1 1 34  4  19 o 471.7607 24.48275 55.57438       5.414469  47.14626       8.256318  61.93425       7.172078  409.9200 43.48101 489.1938 31.33165 -79.27380      53.59357 
1 1 1 34  4  20 o 97.29769 44.30767 -0.6142970     4.462952  6.162307       5.995759  -9.033889      6.683187  143.0849 57.74098 90.73249 44.63858 52.35244       72.98372 
1 1 1 34  4  21 o 148.3153 59.22743 7.419739       6.236678  7.419739       6.236678  0.000000       0.000000  148.3153 59.22743 ?        ?        0.000000       59.22743 
1 1 1 34  4  22 o 152.7058 60.03286 8.659335       6.315152  8.659335       6.315152  0.000000       0.000000  152.7058 60.03286 ?        ?        0.000000       60.03286 
1 1 1 34  4  23 o 112.1196 51.88681 0.9800833      6.467514  0.9800833      6.467514  0.000000       0.000000  112.1196 51.88681 ?        ?        0.000000       51.88681 
1 1 1 34  6  0  o 115.2839 49.23720 1.310137       4.726132  0.000000       0.000000  1.310137       4.726132  ?        ?        115.2839 49.23720 0.000000       49.23720 
1 1 1 34  6  1  o 246.6752 35.15838 15.65344       3.964213  0.000000       0.000000  15.65344       3.964213  ?        ?        246.6752 35.15838 0.000000       35.15838 
1 1 1 34  6  2  o 135.8199 46.56562 4.797400       3.586195  0.000000       0.000000  4.797400       3.586195  ?        ?        135.8199 46.56562 0.000000       46.56562 
1 1 1 34  6  3  o 303.6170 30.76169 23.14359       4.332805  0.000000       0.000000  23.14359       4.332805  ?        ?        303.6170 30.76169 0.000000       30.76169 
1 1 1 34  6  4  o 325.5909 24.90873 26.02665       3.786046  29.61356       7.911512  24.96123       4.311826  324.8407 53.64782 316.3012 29.31266 8.539459       61.13363 
1 1 1 34  6  5  o 140.6788 40.91341 5.287665       2.869999  4.400054       4.268846  6.019794       3.876976  134.6522 50.22923 148.8641 48.36322 -14.21191      69.72787 
1 1 1 34  6  6  o 97.76586 40.13578 1.272386       2.956656  4.210240       4.550423  -0.8741377     3.889597  134.3369 51.46341 94.23213 42.28071 40.10475       66.60436 
1 1 1 34  6  7  o 377.4427 21.39335 34.58610       3.782765  30.26813       5.503063  38.45399       5.208368  344.6285 34.40548 393.5294 28.32497 -48.90085      44.56502 
1 1 1 34  6  8  o 367.8139 24.58525 33.19302       4.229249  32.17602       5.309485  34.95839       6.995374  357.1183 31.94341 364.1203 41.58702 -7.002075      52.43913 
1 1 1 34  6  9  o 428.4915 23.19733 44.82470       4.658317  45.55320       5.839129  43.54935       7.725824  427.4457 29.21513 407.1626 40.88985 20.28317       50.25439 
1 1 1 34  6  10 o 122.8175 45.32328 3.600868       3.457213  6.184675       4.252258  -1.437574      5.937965  150.0809 50.70949 111.9721 51.03563 38.10883       71.94503 
1 1 1 34  6  11 o 170.2385 45.11582 8.026147       3.671019  8.099010       4.580869  7.895363       6.137239  168.1426 52.33072 165.8199 60.51056 2.322678       80.00020 
1 1 1 34  6  12 o 75.00571 35.01515 -2.305777      3.046388  -0.2991250     4.253096  -4.419987      4.365593  100.8692 44.80351 83.84840 39.96739 17.02084       60.03954 
1 1 1 34  6  13 o 134.7453 43.03179 4.884807       3.078921  4.384093       4.261142  5.431808       4.453743  133.0301 50.07357 142.6613 51.62537 -9.631241      71.92038 
1 1 1 34  6  14 o 76.93468 35.40966 -1.624529      2.952967  1.089490       4.135862  -4.446868      4.217588  107.3663 45.96297 81.60128 39.00335 25.76502       60.28147 
1 1 1 34  6  15 o 203.3023 36.29906 10.94031       3.344058  18.56756       4.769132  3.563184       4.690279  263.4241 39.72136 127.6956 51.23144 135.7285       64.82628 
1 1 1 34  6  16 o 99.15588 44.03918 -0.9544294E-01 4.108477  0.000000       0.000000  -0.9544294E-01 4.108477  ?        ?        99.15588 44.03918 0.000000       44.03918 
1 1 1 34  6  17 o 233.4489 36.18036 14.50025       3.844577  15.56481       6.159562  13.82084       4.920785  222.1102 58.23842 217.4037 49.25743 4.706528       76.27586 
1 1 1 34  6  18 o 139.7251 46.33066 5.607059       3.551245  0.3822830      5.372318  9.661799       4.732705  111.1963 49.80537 176.7294 52.84250 -65.53308      72.61478 
1 1 1 34  6  19 f 279.0345 32.18894 20.43001       4.147573  17.96671       6.136692  22.50145       5.627446  238.0354 55.77971 281.2531 43.97489 -43.21771      71.02934 
1 1 1 34  6  20 o 167.9789 50.34388 8.887017       4.292008  4.711653       5.634018  14.66112       6.625417  132.6641 55.02439 201.3955 62.97636 -68.73134      83.62837 
1 1 1 34  6  21 o 184.9215 60.15260 12.45244       5.996820  12.45244       5.996820  0.000000       0.000000  184.9215 60.15260 ?        ?        0.000000       60.15260 
1 1 1 34  6  22 o 98.42796 46.53408 -2.047860      5.685266  -2.047860      5.685266  0.000000       0.000000  98.42796 46.53408 ?        ?        0.000000       46.53408 
1 1 1 34  8  0  o 280.2135 31.36816 19.88901       4.063804  0.000000       0.000000  19.88901       4.063804  ?        ?        280.2135 31.36816 0.000000       31.36816 
1 1 1 34  8  1  o 112.9220 43.86958 2.622323       3.340540  0.000000       0.000000  2.622323       3.340540  ?        ?        112.9220 43.86958 0.000000       43.86958 
1 1 1 34  8  2  o 143.4306 42.92625 5.563286       3.122040  8.412604       6.801412  4.802643       3.514141  170.6294 63.45058 135.2261 46.09673 35.40335       78.42757 
1 1 1 34  8  3  o 262.4880 28.53572 17.23080       3.466684  13.94471       7.169807  18.23343       3.960395  210.8414 65.44440 268.0849 32.03963 -57.24355      72.86636 
1 1 1 34  8  4  o 254.2214 29.60400 16.24169       3.473934  14.80381       6.965641  16.71773       4.007950  218.7058 63.77728 255.3163 34.23356 -36.61047      72.38424 
1 1 1 34  8  5  o 104.0198 42.22229 1.699904       3.226200  -3.332343      6.632199  3.259793       3.692525  111.1095 51.80074 121.2431 46.38005 -10.13364      69.53004 
1 1 1 34  8  6  o 200.2325 33.40762 10.32570       3.035787  11.81430       4.518821  9.101209       4.098405  206.1148 47.57198 180.4501 47.59711 25.66476       67.29471 
1 1 1 34  8  7  o 228.7150 29.61088 13.18623       3.110988  14.65502       4.496168  11.83718       4.309000  233.6510 42.47226 207.6476 45.38179 26.00339       62.15626 
1 1 1 34  8  8  o 179.7373 36.42343 8.497176       2.974078  9.409087       4.226055  7.602388       4.186191  182.9449 48.36980 164.2676 49.82970 18.67729       69.44521 
1 1 1 34  8  9  o 75.25302 35.58407 -3.165787      3.327205  -5.505715      3.901519  3.073722       6.371001  74.39882 36.04753 136.3685 57.66201 -61.96973      68.00244 
1 1 1 34  8  10 o 157.7088 51.70953 6.999779       4.428264  6.999779       4.428264  0.000000       0.000000  157.7088 51.70953 ?        ?        0.000000       51.70953 
1 1 1 34  8  11 o 274.3219 26.69212 18.71581       3.400770  22.37112       4.918911  15.36877       4.706920  293.6750 36.38587 237.9872 43.65368 55.68782       56.82935 
1 1 1 34  8  12 o 308.9352 24.71313 23.54747       3.561342  19.46624       5.075575  27.50539       4.998309  269.8609 41.29673 328.4267 32.79142 -58.56583      52.73232 
1 1 1 34  8  13 o 117.8950 41.81357 3.466089       2.906275  6.075372       4.255019  1.184309       3.979035  147.7688 50.71891 106.6011 45.34461 41.16768       68.03339 
1 1 1 34  8  14 o 142.4079 41.95300 5.573040       3.000485  8.534113       4.335842  2.851866       4.156493  171.2807 50.42404 119.4385 48.11885 51.84220       69.69941 
1 1 1 34  8  15 o 223.5085 36.29271 13.21799       3.684884  18.91796       5.907244  9.587283       4.714592  255.6928 50.90254 179.2575 52.52575 76.43530       73.14384 
1 1 1 34  8  16 o 217.4704 37.88896 12.71804       3.735113  9.907848       6.041516  14.45672       4.752121  175.8124 60.43028 225.4879 46.35065 -49.67551      76.15906 
1 1 1 34  8  17 f 242.1747 46.43185 16.78996       5.097013  0.000000       0.000000  16.78996       5.097013  ?        ?        242.1747 46.43185 0.000000       46.43185 
1 1 1 34  8  18 o 123.2677 46.00255 4.016007       3.581411  -2.260405      5.199965  9.680097       4.939805  97.99563 45.74743 174.6887 54.33802 -76.69306      71.03132 
1 1 1 34  8  19 o 183.4513 43.62264 9.807741       3.709396  13.00535       6.078236  7.910080       4.682460  194.0084 60.26316 157.5132 53.21288 36.49524       80.39439 
1 1 1 34  8  20 o 95.48280 42.95069 -0.2903738E-01 4.042139  -1.431926      5.537764  1.570749       5.913625  101.7562 47.40464 116.5145 52.21611 -14.75822      70.52463 
1 1 1 34  8  21 o 86.88970 40.60828 -1.775268      4.115456  1.593044       5.777956  -5.243758      5.863248  114.0000 51.30907 91.00589 44.11818 22.99407       67.66856 
1 1 1 34  8  22 o 141.0632 56.06398 7.077884       5.563857  7.077884       5.563857  0.000000       0.000000  141.0632 56.06398 ?        ?        0.000000       56.06398 
1 1 1 34  10 0  o 93.57722 39.51720 0.7956932      2.986081  -0.4149822     7.015444  1.063566       3.299935  123.5938 55.99680 99.16222 41.69075 24.43159       69.81232 
1 1 1 34  10 1  o 86.39445 37.90206 -0.1405451     2.955750  2.039239       6.286002  -0.7592983     3.349087  129.7890 56.12357 87.63264 39.28241 42.15634       68.50520 
1 1 1 34  10 2  o 180.2370 38.51893 8.669510       3.166711  16.26932       6.770530  6.541416       3.582751  230.3011 61.38272 153.6274 45.98605 76.67365       76.69781 
1 1 1 34  10 3  o 173.6704 39.80243 8.113606       3.182062  17.77646       7.142242  5.720584       3.554310  240.2533 62.57552 144.7207 46.23650 95.53259       77.80430 
1 1 1 34  10 4  o 152.4074 42.16829 6.327800       3.125342  10.56183       7.038673  5.288030       3.488047  184.9010 65.12621 140.0766 45.89113 44.82442       79.67070 
1 1 1 34  10 5  o 163.8950 46.62387 7.485119       3.765782  0.000000       0.000000  7.485119       3.765782  ?        ?        163.8950 46.62387 0.000000       46.62387 
1 1 1 34  10 6  f 84.83859 39.53220 -2.616567      3.854636  -5.306183      6.406072  -1.090073      4.826076  102.4856 48.72803 102.9953 46.57403 -0.5097046     67.40594 
1 1 1 34  10 7  o 95.76579 38.62636 1.427144       2.681691  1.651309       3.718044  1.184083       3.871581  108.1347 44.76257 106.2671 44.94288 1.867516       63.43145 
1 1 1 34  10 8  o 89.09509 38.92856 -0.2852315E-01 3.090111  0.5067222      3.811174  -1.055589      5.279361  101.1156 43.71262 107.5026 48.65308 -6.386932      65.40578 
1 1 1 34  10 9  o 170.1111 43.06636 7.936915       3.449508  8.790581       4.185636  6.129608       6.090228  176.1801 48.81910 153.0627 59.29796 23.11739       76.80855 
1 1 1 34  10 10 o 251.6315 32.55625 16.19082       3.763263  12.14736       4.495089  25.66588       6.881014  208.6712 46.93162 302.9370 50.03388 -94.26579      68.60004 
1 1 1 34  10 11 o 139.4774 45.07915 5.289325       3.371192  6.884496       4.149269  2.191142       5.782579  156.0371 49.96767 127.0252 54.36275 29.01194       73.83819 
1 1 1 34  10 12 f 139.6278 42.16431 5.317589       3.002277  5.244195       4.243014  5.391181       4.248713  140.0372 50.43106 141.3854 50.51252 -1.348160      71.37791 
1 1 1 34  10 13 o 108.8571 41.92617 2.549564       3.030773  7.674504       4.389946  -2.117838      4.189405  162.4672 51.33001 90.40667 41.81099 72.06055       66.20369 
1 1 1 34  10 14 o 387.2218 21.41867 36.66644       3.886249  30.08539       5.318075  44.20821       5.693035  341.3196 33.55631 418.7150 29.08431 -77.39532      44.40634 
1 1 1 34  10 15 o 261.1442 30.13169 17.44721       3.633534  18.38288       5.815243  16.84796       4.653834  250.7175 51.04266 248.2940 41.29559 2.423492       65.65576 
1 1 1 34  10 16 o 163.1874 45.54261 7.706714       3.629045  12.33353       5.887804  4.872034       4.608549  195.1510 59.07277 134.9557 51.76949 60.19536       78.54726 
1 1 1 34  10 17 o 125.6379 47.28959 4.175380       3.800434  -0.4788942     5.724264  7.843980       5.082108  109.6262 50.02158 158.1516 55.36380 -48.52546      74.61440 
1 1 1 34  10 18 o 109.6198 47.41843 1.596008       4.490359  0.000000       0.000000  1.596008       4.490359  ?        ?        109.6198 47.41843 0.000000       47.41843 
1 1 1 34  10 19 o 226.0900 42.07975 14.67022       4.310622  12.93995       5.986054  16.53389       6.212532  191.9741 59.83292 220.5944 58.80045 -28.62029      83.88963 
1 1 1 34  10 20 o 184.4105 48.46409 10.69962       4.259170  13.87634       5.974494  7.416766       6.073476  196.5989 59.50495 146.9102 58.51614 49.68875       83.45644 
1 1 1 34  10 21 o 148.3540 49.61399 7.274102       4.070103  7.378122       5.888644  7.178954       5.631923  143.8218 57.50923 142.8791 56.52572 0.9427490      80.63789 
1 1 1 34  12 0  o 130.4214 40.58205 4.561738       2.755047  9.524377       6.188427  3.335026       3.076772  176.1960 61.12636 117.3110 42.83884 58.88492       74.64314 
1 1 1 34  12 1  o 139.5589 42.63118 5.301407       3.056283  14.60761       6.984739  3.097669       3.398943  214.0464 64.23958 117.0533 44.56468 96.99306       78.18398 
1 1 1 34  12 2  o 181.3044 37.48354 8.740673       3.091217  -2.184899      6.438074  12.01412       3.524005  112.5858 51.98493 214.0460 36.29616 -101.4602      63.40224 
1 1 1 34  12 3  o 132.1703 43.27691 4.648241       3.102127  9.191440       6.902959  3.498549       3.472523  174.4964 64.09875 121.4962 45.30642 53.00018       78.49409 
1 1 1 34  12 4  o 183.8772 40.94043 9.147155       3.450209  5.032700       7.286498  10.33626       3.917176  150.3875 62.49205 193.9575 43.95041 -43.56996      76.39957 
1 1 1 34  12 5  o 328.6003 31.25725 27.30247       4.773360  34.18550       8.199380  23.77384       5.870761  348.8409 51.51730 297.3974 43.23098 51.44342       67.25288 
1 1 1 34  12 6  f 86.38262 38.48835 -0.5727295     3.163438  3.864447       6.827321  -1.785798      3.569765  142.3472 59.91327 84.95475 39.03852 57.39243       71.50948 
1 1 1 34  12 7  f 172.9168 47.73863 8.432082       4.010661  8.088586       6.781255  8.616874       4.973822  167.1830 63.11535 171.8009 54.67525 -4.617905      83.50407 
1 1 1 34  12 8  o 164.4473 51.48777 7.747665       4.427025  1.379310       6.977194  12.03924       5.727638  131.0086 57.82613 199.8884 57.70158 -68.87976      81.69048 
1 1 1 34  12 9  o 139.4223 40.89996 5.264904       2.857100  6.882910       4.175455  3.840327       3.917929  155.9895 50.14328 126.7579 47.94518 29.23157       69.37643 
1 1 1 34  12 10 o 169.9199 38.42791 7.762448       2.999604  3.226141       4.212256  12.42955       4.272548  123.1466 48.83240 212.4178 44.19780 -89.27116      65.86387 
1 1 1 34  12 11 o 236.0333 35.74733 14.58513       3.844799  17.27491       4.887878  10.21998       6.226751  252.0662 42.75029 181.0523 61.36258 71.01389       74.78605 
1 1 1 34  12 12 o 123.6604 46.35404 3.745588       3.644240  5.689656       4.847744  1.219382       5.526095  144.4060 53.59396 118.9386 52.01085 25.46741       74.68227 
1 1 1 34  12 13 o 76.74452 35.93409 -2.418440      3.248345  -1.788859      4.018275  -3.605827      5.518359  89.52940 41.24332 97.95333 46.16816 -8.423927      61.90727 
1 1 1 34  12 14 o 133.4572 43.74101 4.922062       3.168731  2.652497       5.167150  6.290028       4.011598  123.1336 51.98997 147.6486 49.25575 -24.51500      71.61764 
1 1 1 34  12 15 o 174.3348 41.94268 8.555616       3.397783  8.561237       5.315073  8.551732       4.418560  165.1574 56.68583 168.1294 51.23708 -2.972015      76.41022 
1 1 1 34  12 16 o 206.3205 37.97128 11.63560       3.549455  8.492867       5.490375  13.89224       4.652430  162.5940 57.49209 218.4024 46.69942 -55.80838      74.06873 
1 1 1 34  12 17 o 153.5071 45.86933 7.012532       3.566903  10.43995       5.651056  4.742742       4.598739  176.0392 58.44789 131.4489 51.35986 44.59033       77.80739 
1 1 1 34  12 19 o 85.01087 39.82528 -2.043191      3.998805  -3.599881      6.129485  -0.8897147     5.276271  98.30960 46.99796 101.1968 46.84372 -2.887199      66.35618 
1 1 1 34  14 0  o 212.5622 26.99005 11.36484       2.637900  15.84126       6.259851  10.39829       2.908780  227.5982 58.23106 200.7022 31.87549 26.89600       66.38451 
1 1 1 34  14 1  o 184.1637 41.17134 9.259775       3.477137  17.06302       6.959739  6.664134       4.014002  232.8946 62.30778 153.3012 49.15223 79.59337       79.36121 
1 1 1 34  14 2  o 272.7963 26.17161 18.52949       3.317223  8.409632       6.886517  21.58710       3.785327  167.9372 63.55420 293.6378 27.73290 -125.7005      69.34155 
1 1 1 34  14 3  o 137.9996 42.58079 5.178443       3.040333  -0.5187277     6.372679  6.857335       3.459424  118.1863 53.47427 156.8951 44.70611 -38.70878      69.70032 
1 1 1 34  14 4  o 354.9571 22.84764 30.86887       3.794662  27.28597       7.712459  32.01326       4.358748  305.8659 55.65369 359.4435 25.95325 -53.57767      61.40769 
1 1 1 34  14 5  o 80.81306 36.72969 -1.198016      3.048086  0.7684305E-01  6.324863  -1.583666      3.478698  120.4259 53.98285 84.56445 38.74023 35.86150       66.44512 
1 1 1 34  14 6  o 320.3506 30.75986 25.98354       4.578324  31.51011       7.972521  23.26423       5.592387  332.1172 52.79828 294.7883 41.47606 37.32889       67.14105 
1 1 1 34  14 7  o 332.3435 25.20968 27.32437       3.911799  33.05589       8.571610  25.81665       4.396308  336.2379 56.17531 320.1047 29.52912 16.13318       63.46364 
1 1 1 34  14 8  o 127.2684 43.62702 4.251232       3.147847  -7.167064      7.015537  7.129549       3.522326  101.6799 49.03270 159.5648 44.98715 -57.88494      66.54359 
1 1 1 34  14 9  o 81.54547 37.40615 -1.551622      3.257854  1.758621       6.743487  -2.559443      3.720885  129.9165 57.11630 82.74689 38.65209 47.16959       68.96561 
1 1 1 34  14 10 o 125.5300 41.58276 4.190119       2.860945  3.878820       4.049436  4.500359       4.042546  126.7316 48.54834 132.0676 48.95567 -5.336014      68.94634 
1 1 1 34  14 11 o 174.2079 38.13634 8.214798       3.038501  8.741229       4.421651  7.743774       4.182495  172.0991 50.99000 162.8678 49.89103 9.231323       71.33789 
1 1 1 34  14 12 o 250.0956 43.13107 17.28143       4.890896  18.32640       8.195097  16.70333       6.095452  228.5411 69.80754 233.7136 56.14568 -5.172516      89.58476 
1 1 1 34  14 13 o 401.3310 27.42443 40.55547       5.146370  41.11177       7.223904  39.98217       7.333467  390.2494 39.91309 383.0582 41.35425 7.191223       57.47373 
1 1 1 34  14 14 o 304.7545 27.48500 23.53502       3.897774  18.63853       6.200199  26.73463       5.012015  246.0980 54.94833 319.1904 33.89938 -73.09241      64.56381 
1 1 1 34  14 15 o 236.2316 33.58623 14.78220       3.627132  7.437575       5.821064  19.44368       4.637455  153.6416 58.36210 267.5049 37.91476 -113.8633      69.59644 
1 1 1 34  14 16 o 151.7950 43.98930 6.774831       3.323048  4.033888       5.416457  8.429199       4.208055  128.9696 53.75965 164.9174 49.94465 -35.94780      73.37962 
1 1 1 34  14 17 o 77.74964 37.02729 -3.214755      3.729413  -5.383472      5.086489  -0.6935197     5.484325  85.10007 41.21404 104.5949 48.18338 -19.49481      63.40532 
1 1 1 34  14 18 f 117.5066 46.56817 3.621182       3.828580  9.979193       5.516633  -2.286564      5.317706  167.6669 57.73899 96.20359 45.33665 71.46331       73.41119 
1 1 1 34  16 0  o 239.9283 23.97848 14.29508       2.670035  15.35672       6.466876  14.07691       2.931573  219.8967 60.58225 236.5393 26.82091 -16.64262      66.25383 
1 1 1 34  16 1  o 116.3979 37.87848 3.548049       2.377828  6.251487       6.218714  3.085112       2.573378  151.0609 59.51321 111.3435 39.36141 39.71738       71.35225 
1 1 1 34  16 2  o 100.8207 38.71310 2.130025       2.578683  19.15874       6.862791  -0.6694563     2.782586  249.1840 59.38943 79.89875 35.81160 169.2852       69.35110 
1 1 1 34  16 3  o 189.3387 33.48163 9.372340       2.872961  9.943521       6.475742  9.232368       3.205713  177.3943 62.46922 185.3101 38.04943 -7.915741      73.14480 
1 1 1 34  16 4  o 91.20271 39.32917 0.4138176      3.069691  2.325803       6.379709  -0.1622046     3.501694  130.0531 56.38872 92.50924 40.89260 37.54391       69.65553 
1 1 1 34  16 5  o 280.7698 30.26740 20.04542       3.934358  25.10405       7.429155  18.07369       4.638163  290.3381 56.42868 260.2280 39.09866 30.11017       68.65057 
1 1 1 34  16 6  o 137.4986 42.97808 5.195675       3.086046  -3.706897      6.805812  7.499910       3.462467  109.1552 51.39451 163.4594 44.03968 -54.30419      67.68227 
1 1 1 34  16 7  f 107.4717 41.99622 2.397205       3.075028  8.284781       6.984216  0.9814672      3.424844  165.2302 63.64340 99.11327 42.11190 66.11690       76.31445 
1 1 1 34  16 8  o 104.4674 41.87658 2.028500       3.130857  -3.629608      6.938664  3.474985       3.508304  110.0425 51.83690 120.0987 45.38332 -10.05616      68.89637 
1 1 1 34  16 9  o 228.4988 32.53588 13.55161       3.398391  23.60880       8.206921  11.47022       3.733524  268.5182 65.54675 205.0595 40.14212 63.45862       76.86200 
1 1 1 34  16 10 o 309.2051 29.50970 24.33623       4.240102  27.76457       8.636947  23.24761       4.866961  292.6894 64.47284 297.2716 35.50711 -4.582245      73.60368 
1 1 1 34  16 11 o 204.6017 33.30866 11.01125       3.095503  12.99571       4.519990  9.258380       4.248057  212.6758 46.47868 176.6307 49.26663 36.04509       67.73085 
1 1 1 34  16 12 o 206.5881 35.97509 11.45738       3.369011  11.59929       5.475020  11.37090       4.273983  190.4999 56.80760 197.6238 46.71320 -7.123901      73.54745 
1 1 1 34  16 13 o 278.2787 36.23529 20.75985       4.630804  18.37396       6.204500  23.76041       6.957963  242.2313 55.62463 277.1260 55.31246 -34.89470      78.44468 
1 1 1 34  16 14 o 198.5554 47.95591 11.81061       4.428703  7.288942       5.999779  17.22355       6.564515  151.5062 58.81114 226.3667 60.49223 -74.86047      84.36859 
1 1 1 34  16 15 f 73.89925 34.68102 -2.151566      3.055396  -6.762783      4.769253  1.058480       3.979222  78.40116 38.39541 101.8320 44.34303 -23.43083      58.65588 
1 1 1 34  16 16 o 182.7654 45.39274 10.06139       3.884900  7.508919       5.308285  13.00535       5.700854  150.2139 56.01609 193.9363 57.99804 -43.72241      80.63235 
1 1 1 34  18 0  o 107.5488 36.94210 2.954594       2.257588  -5.716410      6.239445  4.260781       2.421665  97.00080 46.64538 125.1369 37.88632 -28.13611      60.09296 
1 1 1 34  18 1  f 111.1101 38.04879 3.182933       2.394307  -3.052913      6.055971  4.338261       2.606687  103.8202 48.75586 126.1782 39.50913 -22.35809      62.75433 
1 1 1 34  18 2  o 256.0894 24.44027 16.35034       2.908458  5.112961       6.698639  18.96093       3.228667  143.8062 59.85111 275.4434 25.19765 -131.6372      64.93903 
1 1 1 34  18 3  o 176.9178 37.19172 8.467681       2.996933  9.836505       6.110046  8.034039       3.439038  174.7843 60.73227 168.6452 43.16801 6.139023       74.51098 
1 1 1 34  18 4  o 133.6381 43.81087 4.942714       3.178791  -4.485732      5.848102  8.896620       3.787112  97.57253 46.43995 176.2082 45.40590 -78.63570      64.94894 
1 1 1 34  18 5  o 131.9901 41.59087 4.800537       2.883595  -5.217004      6.256868  7.502069       3.249238  98.95619 47.35482 163.5268 42.01504 -64.57062      63.30673 
1 1 1 34  18 6  o 105.1965 40.88243 2.370670       2.901876  6.498217       6.966489  1.504137       3.191983  152.1005 61.92803 100.0815 41.45582 52.01902       74.52292 
1 1 1 34  18 7  o 127.7497 42.41665 4.462210       2.976207  18.28478       7.733990  2.059436       3.224524  229.8281 67.25500 104.8258 42.32935 125.0023       79.46703 
1 1 1 34  18 8  o 268.7241 28.00330 18.34448       3.487852  14.39953       7.866149  19.30988       3.891285  199.5674 68.93397 273.7393 30.75154 -74.17184      75.48211 
1 1 1 34  18 9  o 121.2707 43.42626 3.890356       3.141972  22.97563       7.468080  -0.2144063     3.463409  266.9743 60.82368 90.54679 40.31308 176.4275       72.97030 
1 1 1 34  18 10 o 174.2864 43.21627 8.703866       3.525606  0.000000       0.000000  8.703866       3.525606  ?        ?        174.2864 43.21627 0.000000       43.21627 
1 1 1 34  18 11 o 169.3371 42.42178 8.222860       3.372087  0.000000       0.000000  8.222860       3.372087  ?        ?        169.3371 42.42178 0.000000       42.42178 
1 1 1 34  18 12 o 116.1600 46.86427 3.077725       3.948626  0.000000       0.000000  3.077725       3.948626  ?        ?        116.1600 46.86427 0.000000       46.86427 
1 1 1 34  18 13 o 107.1085 42.10460 2.643603       3.106264  2.113555       5.113176  2.953645       3.910604  115.8478 50.35586 114.3221 46.45563 1.525772       68.51159 
1 1 1 34  18 14 o 230.6680 42.46457 15.35443       4.437909  24.10821       6.250178  6.453627       6.302452  282.1620 48.85902 143.1336 58.66066 139.0284       76.34315 
1 1 1 34  20 0  o 108.7096 37.58651 3.088259       2.338893  -3.091558      5.914905  4.233623       2.546430  100.7984 47.59673 123.6286 39.09746 -22.83015      61.59594 
1 1 1 34  20 1  o 112.5093 38.04171 3.364763       2.393119  -5.425090      6.094995  4.966816       2.602082  95.43963 45.94500 133.2640 39.01448 -37.82439      60.27498 
1 1 1 34  20 2  o 217.5184 29.35069 12.23155       2.926513  6.206898       6.013321  14.10134       3.350005  145.6264 58.15594 232.2635 31.47217 -86.63719      66.12572 
1 1 1 34  20 3  o 161.0652 41.59580 7.383733       3.173522  -1.374554      6.274555  10.39433       3.678744  110.0153 50.98130 191.6718 41.96454 -81.65652      66.03117 
1 1 1 34  20 4  o 375.0635 19.66388 34.42495       3.457228  35.01784       7.645825  34.27258       3.876117  347.3265 48.08692 372.2264 22.23878 -24.89993      52.98033 
1 1 1 34  20 5  o 165.3977 39.25421 7.643778       3.008286  6.956005       6.351493  7.842687       3.415706  150.8411 59.91648 164.8172 43.44215 -13.97612      74.00814 
1 1 1 34  20 6  o 116.2923 40.77599 3.596875       2.757303  2.142093       5.750605  4.031179       3.142038  121.3834 53.06901 122.0625 43.45672 -0.6791077     68.59159 
1 1 1 34  20 7  o 172.7408 37.66671 8.245857       2.974434  6.275268       6.257882  8.820984       3.380736  145.8442 58.94218 176.1123 41.49074 -30.26805      72.08094 
1 1 1 34  20 8  o 179.8042 35.74123 8.809902       2.916522  8.041023       5.741483  9.077300       3.385900  157.0714 58.31931 178.7248 41.12762 -21.65349      71.36262 
1 1 1 34  20 9  o 101.7369 41.51167 1.963609       3.138759  0.000000       0.000000  1.963609       3.138759  ?        ?        101.7369 41.51167 0.000000       41.51167 
1 1 1 34  20 10 o 163.7505 44.62716 7.966450       3.531488  0.000000       0.000000  7.966450       3.531488  ?        ?        163.7505 44.62716 0.000000       44.62716 
1 1 1 34  22 0  o 91.47942 39.04832 0.9844437      2.969477  -15.60642      6.068510  6.207577       3.404969  73.30847 37.00291 143.3492 45.19731 -70.04068      58.41243 
1 1 1 34  22 1  o 229.2007 31.05358 13.89060       3.261880  9.577885       6.529028  15.32508       3.765483  162.8368 61.82029 237.8050 34.68190 -74.96817      70.88428 
1 1 1 34  22 2  f 114.9147 39.57520 3.620913       2.591701  14.09037       6.391851  1.561018       2.835222  198.0494 61.84431 95.09518 39.20181 102.9542       73.22227 
1 1 1 34  22 3  o 206.6329 29.82397 11.20664       2.814988  8.165874       6.763015  11.84385       3.095917  154.1107 61.62838 210.7386 32.25674 -56.62785      69.55972 
1 1 1 34  22 4  f 220.7735 36.78944 13.41114       3.686213  0.000000       0.000000  13.41114       3.686213  ?        ?        220.7735 36.78944 0.000000       36.78944 
1 1 1 34  22 5  o 168.5652 36.12584 7.875496       2.778394  7.128419       6.478151  8.043892       3.075629  147.8826 59.89883 167.8947 39.58733 -20.01213      71.79852 
1 1 1 35  1  0  o 307.2740 60.25637 28.32543       8.398355  27.74079       11.89757  28.90607       11.85667  270.3664 84.36697 277.7791 83.77127 -7.412689      118.8924 
1 1 1 35  1  1  o 194.3366 54.54667 11.12771       5.190353  14.44685       5.871996  -0.7303805     11.09891  220.5583 56.38111 145.7886 67.64555 74.76971       88.06107 
1 1 1 35  1  2  o 104.8359 44.48021 1.093651       3.811800  -3.043995      6.007446  3.882165       4.931734  106.0210 49.38564 132.7447 52.77522 -26.72372      72.27838 
1 1 1 35  1  3  o 443.1965 19.47570 47.40557       4.060306  47.10160       5.678687  47.72351       5.807767  435.2560 27.88196 437.7263 28.35822 -2.470306      39.76925 
1 1 1 35  1  4  o 174.3374 38.11563 8.104791       3.038646  10.08326       4.328714  6.182736       4.266548  188.8967 48.47375 149.6455 50.79348 39.25124       70.21170 
1 1 1 35  1  5  o 117.7167 41.84995 3.407928       2.912996  4.405900       4.153050  2.441476       4.086941  133.1225 49.56601 116.8803 47.49290 16.24220       68.64667 
1 1 1 35  1  6  o 185.9198 35.35786 9.059079       2.979285  6.841573       4.327158  11.05772       4.108066  155.8310 51.11688 200.2672 44.73582 -44.43613      67.92812 
1 1 1 35  1  7  o 104.8485 41.30149 2.094284       2.994684  -2.621773      4.198226  6.979850       4.273009  88.81599 41.34239 157.0683 50.75040 -68.25229      65.45836 
1 1 1 35  1  8  o 277.0550 26.63489 19.11083       3.428473  23.30724       4.974672  15.31442       4.731638  299.7212 36.00447 236.8254 44.09573 62.89580       56.92763 
1 1 1 35  1  9  o 181.2091 37.78384 8.757229       3.116407  3.997331       4.308434  13.98038       4.513226  129.9285 50.00327 225.9179 44.05100 -95.98943      66.63947 
1 1 1 35  1  10 o 145.6148 43.88685 5.838856       3.254912  3.630241       4.516609  8.225224       4.694844  128.0421 50.63153 167.9489 53.08484 -39.90681      73.35907 
1 1 1 35  1  11 o 116.3041 45.81670 2.819999       3.685451  -0.1859019     4.430505  9.571939       6.640184  102.7664 45.68338 175.9329 63.11699 -73.16649      77.91487 
1 1 1 35  1  12 o 114.7955 48.67007 1.727512       4.558380  7.205708       6.984267  -2.337693      6.016491  159.8468 63.03971 107.7559 49.92990 52.09094       80.41766 
1 1 1 35  1  13 o 464.0648 24.09125 53.07018       5.240960  37.42569       8.787773  61.70646       6.529219  359.1584 53.65975 496.5000 28.07084 -137.3416      60.55857 
1 1 1 35  1  14 o 288.8434 26.65891 20.89861       3.581341  27.91551       5.122551  14.18957       5.008921  328.5060 33.62305 221.7268 49.29999 106.7792       59.67410 
1 1 1 35  1  15 o 99.08205 41.12017 1.406453       3.149108  -1.661366      4.286285  5.004549       4.641973  92.82575 42.70049 137.0496 52.10333 -44.22388      67.36534 
1 1 1 35  1  16 o 116.6117 43.31512 3.391414       3.167877  4.739653       4.542949  2.115337       4.419702  133.7703 51.37952 114.2692 48.15612 19.50113       70.41923 
1 1 1 35  1  17 o 185.0504 42.18972 9.697127       3.590975  9.848395       6.109825  9.617298       4.438499  171.9176 60.66374 177.6863 50.64166 -5.768723      79.02321 
1 1 1 35  1  18 o 184.2122 47.69695 10.18990       4.165675  11.01070       6.018778  9.435198       5.771318  179.1974 60.33109 167.6700 58.98142 11.52734       84.37209 
1 1 1 35  1  19 o 209.6767 62.53923 15.70452       6.635053  15.70452       6.635053  0.000000       0.000000  209.6767 62.53923 ?        ?        0.000000       62.53923 
1 1 1 35  1  20 o 128.2688 50.10332 4.777583       4.375540  5.597504       6.174825  3.950654       6.201153  136.6015 57.20921 127.9994 55.54615 8.602180       79.73875 
1 1 1 35  1  21 o 104.5159 49.45370 -1.760404      6.445565  -1.760404      6.445565  0.000000       0.000000  104.5159 49.45370 ?        ?        0.000000       49.45370 
1 1 1 35  3  0  o 88.74908 41.96631 -3.846396      4.628007  -2.555055      5.241724  -8.412604      9.856700  100.2044 46.49210 119.8008 57.85678 -19.59641      74.22211 
1 1 1 35  3  1  o 107.6511 48.18123 -0.4034775     5.017606  1.796076       5.764793  -7.277052      10.19079  124.8497 53.86737 124.5943 59.83738 0.2553940      80.51215 
1 1 1 35  3  2  o 96.62957 42.48766 -0.3040400E-01 3.732631  6.792510       6.057501  -4.206907      4.739308  157.0217 59.56210 88.88315 42.15829 68.13858       72.97237 
1 1 1 35  3  3  o 124.7729 46.98717 3.688039       3.752880  5.410226       5.873943  2.500157       4.878386  147.2023 57.88871 122.9738 51.11963 24.22851       77.22900 
1 1 1 35  3  4  o 172.2456 41.37485 8.072836       3.310394  6.538645       4.030879  11.25149       5.802051  152.9353 49.27866 192.7386 58.70782 -39.80331      76.64851 
1 1 1 35  3  5  o 278.2827 25.46838 19.17565       3.296959  23.32694       4.740164  15.28537       4.588731  301.5186 34.01473 237.9200 42.56338 63.59857       54.48525 
1 1 1 35  3  6  o 167.0222 49.98518 7.961401       4.233311  6.105827       6.516467  9.316291       5.568328  153.6115 60.79296 176.5653 57.98959 -22.95380      84.01534 
1 1 1 35  3  7  o 214.0828 32.66809 11.79415       3.185627  12.76128       4.442633  10.77059       4.570399  214.8555 45.37962 194.0464 49.81578 20.80905       67.38636 
1 1 1 35  3  8  o 72.14014 33.94633 -2.603024      2.961063  -4.485453      4.203869  -0.7494991     4.171471  81.45963 38.93682 97.31428 43.71625 -15.85464      58.54218 
1 1 1 35  3  9  o 233.1104 32.21473 13.93356       3.438123  16.84057       4.820858  10.92454       4.904706  249.4868 42.60764 193.3124 52.55510 56.17441       67.65685 
1 1 1 35  3  10 o 127.3661 46.84343 4.052608       3.688270  0.7912674      4.422615  11.50119       6.683714  108.2915 46.95141 190.5515 63.57851 -82.26000      79.03583 
1 1 1 35  3  11 o 137.8987 44.47485 5.187071       3.282726  6.473030       4.567246  3.812753       4.721549  151.4390 52.51426 130.2027 51.67818 21.23630       73.67755 
1 1 1 35  3  12 o 197.3905 37.96572 10.41180       3.397220  14.28636       4.814268  6.568870       4.794581  225.4792 46.91670 152.0583 53.73014 73.42090       71.33096 
1 1 1 35  3  13 o 431.6995 25.78989 46.26633       5.213271  50.98098       9.497051  44.23293       6.236980  426.9849 48.12234 416.1468 32.10918 10.83807       57.85118 
1 1 1 35  3  14 o 313.8730 30.23408 25.08173       4.408742  29.75014       5.547056  17.07491       7.264540  337.3646 35.48571 227.5522 64.76505 109.8124       73.84949 
1 1 1 35  3  15 o 312.5898 26.50119 24.51255       3.860119  27.19009       5.607581  22.10107       5.321696  319.2193 38.09625 285.0843 40.85095 34.13498       55.85807 
1 1 1 35  3  16 o 159.0962 46.70113 7.391762       3.724015  11.92628       6.256968  4.904316       4.634205  189.3187 61.43668 135.1505 51.89695 54.16815       80.42238 
1 1 1 35  3  17 o 161.6148 46.07117 7.685558       3.673081  8.855530       6.042303  6.999801       4.625941  164.2809 60.02676 151.5350 52.83343 12.74591       79.96614 
1 1 1 35  3  18 o 244.8034 34.37514 16.02429       3.849407  19.36980       6.249988  13.97956       4.886155  247.8014 55.04844 215.0752 49.34360 32.72615       73.92646 
1 1 1 35  3  19 o 97.27412 43.48613 0.1840386      4.074671  -1.790428      5.512525  2.562129       6.049783  100.6630 47.02945 122.3910 53.94318 -21.72794      71.56561 
1 1 1 35  3  20 o 110.4099 47.56685 2.155465       4.481708  -5.172414      6.185711  10.25268       6.502318  94.21568 45.58369 164.7850 61.88903 -70.56931      76.86433 
1 1 1 35  3  21 o 203.6621 64.51772 16.56362       6.931868  16.56362       6.931868  0.000000       0.000000  203.6621 64.51772 ?        ?        0.000000       64.51772 
1 1 1 35  3  22 o 100.5491 47.74051 -1.696790      6.107744  -1.696790      6.107744  0.000000       0.000000  100.5491 47.74051 ?        ?        0.000000       47.74051 
1 1 1 35  5  0  o 119.0311 49.70015 2.268131       4.640355  1.759615       5.344389  3.825803       9.353707  121.0724 52.05058 151.3225 66.86499 -30.25013      84.73600 
1 1 1 35  5  1  o 138.1259 49.08825 5.088111       4.007450  -0.7942926E-01 6.679483  7.994308       5.009143  122.1959 55.06654 165.1774 55.03719 -42.98148      77.85509 
1 1 1 35  5  2  o 235.7822 40.31203 14.87400       4.310458  13.98335       7.283962  15.35400       5.347272  207.5996 66.17547 232.0062 50.43532 -24.40660      83.20405 
1 1 1 35  5  3  o 241.2691 39.68212 15.49445       4.347048  24.34305       7.414222  10.85923       5.366161  287.6714 56.80552 190.5163 56.09874 97.15518       79.83693 
1 1 1 35  5  4  o 114.9469 47.67055 2.060070       4.228030  -3.038050      6.642635  5.532105       5.481853  111.1846 51.83768 146.3539 56.38103 -35.16933      76.58959 
1 1 1 35  5  5  o 418.8940 23.03545 42.95069       4.521664  43.40593       5.793758  42.24138       7.231951  415.7008 29.82681 401.4818 38.77565 14.21899       48.92024 
1 1 1 35  5  6  o 220.2070 31.79290 12.42165       3.197910  8.470058       4.468234  16.57132       4.578851  171.1933 51.38054 249.1087 40.46348 -77.91542      65.40071 
1 1 1 35  5  7  o 163.3659 40.76021 7.271909       3.122116  13.70060       4.643096  1.966198       4.218114  222.2409 45.93185 114.1436 47.49886 108.0973       66.07478 
1 1 1 35  5  8  o 163.5987 41.05769 7.308849       3.154690  8.857884       4.555040  5.880945       4.373318  174.5978 51.75867 146.2803 51.34974 28.31755       72.90923 
1 1 1 35  5  9  o 122.4009 45.90836 3.574727       3.575507  2.249209       4.396091  6.165280       6.145684  117.3409 48.63157 152.2437 59.40393 -34.90279      76.77145 
1 1 1 35  5  10 o 507.4817 19.65649 62.30492       4.692406  62.20452       6.632724  62.40553       6.639410  498.9543 28.37658 499.7819 28.35779 -0.8276367     40.11725 
1 1 1 35  5  11 o 160.4328 42.64218 7.125970       3.273293  2.987318       4.655262  11.17300       4.603443  123.8270 50.54338 196.8880 49.69926 -73.06107      70.88477 
1 1 1 35  5  12 o 380.4857 22.99252 35.55590       4.095900  41.50805       5.953976  30.20845       5.643444  403.8182 31.59570 340.5988 35.75703 63.21939       47.71638 
1 1 1 35  5  13 o 204.0630 36.04873 11.03433       3.333832  7.310461       4.660975  14.93515       4.770432  157.8574 53.09182 231.0266 45.51515 -73.16920      69.93118 
1 1 1 35  5  14 o 168.0047 47.90660 8.198493       3.970980  12.49703       7.712671  6.648001       4.632115  190.4086 68.05378 151.1732 52.85957 39.23543       86.17105 
1 1 1 35  5  15 o 144.5125 47.02395 5.983125       3.664686  8.590964       6.075260  4.491438       4.594764  164.9624 60.20324 132.3865 51.44496 32.57593       79.18974 
1 1 1 35  5  16 o 189.2264 43.03451 10.15224       3.744086  16.15636       6.522750  7.201918       4.572358  221.7813 60.73729 154.2449 52.58121 67.53638       80.33556 
1 1 1 35  5  17 f 219.6703 37.80507 13.17884       3.765623  15.99584       6.168563  11.50550       4.754263  221.5113 58.37719 193.3888 51.38619 28.12257       77.77170 
1 1 1 35  5  18 o 291.9561 31.46986 22.35308       4.253658  20.38645       6.603867  23.74757       5.560864  250.8348 57.23239 290.1074 41.96828 -39.27260      70.97101 
1 1 1 35  5  19 o 91.26357 41.95148 -1.045787      4.127045  -2.368015      5.535009  0.6096909      6.193369  98.40613 46.33799 114.0946 52.04898 -15.68845      69.68720 
1 1 1 35  5  20 o 118.6451 52.60075 2.500595       5.835770  2.500595       5.835770  0.000000       0.000000  118.6451 52.60075 ?        ?        0.000000       52.60075 
1 1 1 35  5  21 o 94.61489 45.22110 -3.049941      5.667889  -3.049941      5.667889  0.000000       0.000000  94.61489 45.22110 ?        ?        0.000000       45.22110 
1 1 1 35  5  22 o 124.1423 54.01097 4.601665       5.893178  4.601665       5.893178  0.000000       0.000000  124.1423 54.01097 ?        ?        0.000000       54.01097 
1 1 1 35  7  0  o 203.6140 56.11550 12.58082       5.547315  12.81808       6.841445  12.12545       9.478239  198.5537 64.22292 187.6830 73.62195 10.87065       97.69736 
1 1 1 35  7  1  o 151.4688 48.64029 6.491234       3.929659  -0.8650417E-02 6.410734  10.40359       4.973637  120.0702 54.04300 187.0173 53.70691 -66.94713      76.19106 
1 1 1 35  7  2  o 151.8018 48.99545 6.510377       3.983415  5.487515       6.527655  7.117285       5.028174  148.6574 60.15713 157.1770 55.06662 -8.519638      81.55497 
1 1 1 35  7  3  o 183.8125 46.57700 9.535150       4.032252  8.629608       6.333461  10.15238       5.228910  169.2923 61.51705 183.9934 55.66356 -14.70108      82.96252 
1 1 1 35  7  4  o 214.9128 42.73944 12.60815       4.168658  19.86921       7.013490  8.641617       5.183697  255.8867 59.40779 170.6015 55.94707 85.28528       81.60490 
1 1 1 35  7  5  o 185.0599 50.90762 9.928086       4.570374  15.56481       7.336087  6.352557       5.842805  219.1047 65.85300 152.7241 58.36114 66.38058       87.99228 
1 1 1 35  7  6  o 210.0784 39.56490 11.82569       3.766409  9.679387       4.724642  15.56778       6.238498  181.8696 52.37925 226.6495 58.20915 -44.77988      78.30639 
1 1 1 35  7  7  o 119.0781 43.48026 3.452852       3.169495  8.364407       4.442272  -1.640005      4.523519  169.9237 51.28333 96.62456 44.23259 73.29918       67.72371 
1 1 1 35  7  8  o 173.8668 43.84754 8.391940       3.585570  11.92206       4.465175  1.983056       6.016373  205.8209 47.13356 127.0667 54.92659 78.75426       72.37750 
1 1 1 35  7  9  o 167.9412 40.09219 7.671789       3.123438  11.11027       4.454540  4.346208       4.380800  197.5225 48.33598 132.7469 50.58065 64.77554       69.96263 
1 1 1 35  7  10 f 129.5822 42.56368 4.489274       2.999844  2.477843       4.359196  6.298734       4.134552  118.3052 48.67040 149.5169 50.00525 -31.21164      69.78061 
1 1 1 35  7  11 o 141.0999 42.62305 5.479257       3.067586  5.851662       4.411409  5.130579       4.268560  145.2130 51.51405 138.5290 50.47770 6.683975       72.12278 
1 1 1 35  7  12 o 180.8383 38.16549 8.820357       3.144602  11.22109       4.535346  6.597719       4.363885  196.9342 49.12168 151.5920 51.37003 45.34224       71.07615 
1 1 1 35  7  13 o 208.1554 34.64346 11.40581       3.272948  11.06302       4.680516  11.73382       4.578465  193.6290 50.76533 201.0909 48.87845 -7.461853      70.47143 
1 1 1 35  7  14 o 82.17593 39.25008 -4.179187      4.255353  0.000000       0.000000  -4.179187      4.255353  ?        ?        82.17593 39.25008 0.000000       39.25008 
1 1 1 35  7  15 f 335.2838 34.61805 29.52948       5.381313  0.000000       0.000000  29.52948       5.381313  ?        ?        335.2838 34.61805 0.000000       34.61805 
1 1 1 35  7  16 o 204.6770 38.35700 11.47967       3.557335  10.88585       5.783135  11.84113       4.511912  181.3997 59.07431 199.5665 48.53047 -18.16678      76.45247 
1 1 1 35  7  17 o 105.0014 43.12017 2.072271       3.414081  2.417658       5.092258  1.790256       4.601442  118.4083 50.85383 111.6983 48.15975 6.709999       70.03909 
1 1 1 35  7  18 o 107.5400 43.78323 2.437257       3.482022  5.829370       5.478049  0.1376399      4.510435  139.4015 55.55853 100.9694 45.39915 38.43213       71.74841 
1 1 1 35  7  19 o 150.1138 51.29557 7.295398       4.351598  15.39834       6.387953  0.2792212      5.944163  206.1465 61.33579 110.5395 50.64009 95.60707       79.53928 
1 1 1 35  7  20 o 216.4592 61.94614 17.49703       6.627217  17.49703       6.627217  0.000000       0.000000  216.4592 61.94614 ?        ?        0.000000       61.94614 
1 1 1 35  7  21 o 179.5829 59.96407 12.63080       5.945283  12.63080       5.945283  0.000000       0.000000  179.5829 59.96407 ?        ?        0.000000       59.96407 
1 1 1 35  9  0  o 335.1997 28.29646 28.27897       4.420043  33.65042       7.908743  25.83913       5.330182  343.3667 50.47032 313.3961 36.86026 29.97061       62.49746 
1 1 1 35  9  1  o 91.75272 41.18856 -0.6738906     3.696076  -6.040429      6.095346  2.446804       4.648115  96.11410 46.19083 119.6948 49.83940 -23.58067      67.95262 
1 1 1 35  9  2  o 141.6430 65.49279 -0.3332343E-01 10.27120  0.000000       0.000000  -0.3332343E-01 10.27120  ?        ?        141.6430 65.49279 0.000000       65.49279 
1 1 1 35  9  3  o 111.3664 46.30018 1.891240       4.002606  5.368610       6.506962  -0.2254431     5.076690  147.5684 59.94051 108.4231 48.49989 39.14529       77.10450 
1 1 1 35  9  4  o 190.2099 49.26130 10.40639       4.442729  5.951249       7.311517  13.01415       5.593849  153.6334 63.09837 207.9363 55.95722 -54.30295      84.33632 
1 1 1 35  9  5  o 97.63777 43.27225 -0.1931729     3.946098  -0.3246136     6.467820  -0.1152341     4.980468  119.4142 53.96521 108.2722 48.26340 11.14201       72.39889 
1 1 1 35  9  6  o 69.53161 34.63916 -10.13466      4.519625  -8.451249      6.485450  -11.72414      6.301929  93.85780 45.70509 84.99039 42.09497 8.867409       62.13647 
1 1 1 35  9  7  o 76.90647 36.77061 -4.109835      3.754498  -4.109835      3.754498  0.000000       0.000000  76.90647 36.77061 ?        ?        0.000000       36.77061 
1 1 1 35  9  8  o 272.7547 25.99953 18.52618       3.295469  21.10493       4.634705  15.88922       4.686725  284.9117 35.34012 241.5214 42.81972 43.39030       55.51984 
1 1 1 35  9  9  o 150.0952 41.61551 6.203608       3.040591  3.507034       4.182990  9.224657       4.427510  124.6975 48.91070 177.9991 50.52623 -53.30160      70.32182 
1 1 1 35  9  10 o 158.9261 39.66328 6.898298       2.955760  10.10280       4.093557  3.407810       4.272321  188.7663 46.42322 124.2050 49.20234 64.56130       67.64603 
1 1 1 35  9  11 o 225.3936 30.46003 13.00854       3.146819  16.12865       4.396688  9.731545       4.505868  245.0732 39.47931 181.9406 50.73672 63.13257       64.28710 
1 1 1 35  9  12 o 158.4618 40.15787 6.925412       2.997167  5.273236       4.110795  8.800377       4.379193  138.5217 49.66502 172.5546 50.64040 -34.03287      70.93000 
1 1 1 35  9  13 o 105.3292 42.26982 2.118398       3.193879  1.170928       5.001725  2.770718       4.150182  113.5365 49.56952 117.4811 47.81169 -3.944565      68.87014 
1 1 1 35  9  14 o 86.69813 38.53738 -0.2732735     3.152226  5.918550       5.257370  -3.748607      3.938741  144.3806 55.31543 79.68423 37.97716 64.69642       67.09740 
1 1 1 35  9  16 o 205.4969 48.80257 12.67746       4.647371  0.000000       0.000000  12.67746       4.647371  ?        ?        205.4969 48.80257 0.000000       48.80257 
1 1 1 35  9  17 o 130.5874 46.02466 4.928146       3.515817  8.076695       5.465154  2.705078       4.592229  156.2704 57.08979 116.4473 49.08123 39.82307       75.28753 
1 1 1 35  9  18 o 108.7578 46.02148 2.183289       4.063211  5.740191       5.523539  -2.011296      5.998270  137.5344 55.44883 102.9536 48.40469 34.58076       73.60426 
1 1 1 35  9  19 o 119.1803 48.33732 3.746863       4.224741  7.571344       6.023568  0.4405470E-01  5.926976  147.0058 58.36307 108.4981 50.02081 38.50763       76.86566 
1 1 1 35  9  20 o 134.2739 48.66393 5.814160       3.959603  7.939954       5.604109  3.695006       5.595349  147.3948 56.94346 121.4437 52.73227 25.95113       77.60960 
1 1 1 35  11 0  o 301.3069 28.73720 22.95959       4.023707  24.01903       7.403310  22.51544       4.793503  280.8387 57.96215 293.1702 35.48100 -12.33145      67.95963 
1 1 1 35  11 1  o 262.9732 32.97677 17.88014       3.989625  12.49108       6.826167  20.67609       4.916830  195.0064 64.21379 278.6629 38.54082 -83.65648      74.89196 
1 1 1 35  11 2  o 135.7328 43.48296 5.046654       3.141945  2.140904       6.392562  5.972186       3.607793  129.0535 56.19995 145.8389 46.58193 -16.78540      72.99528 
1 1 1 35  11 3  o 61.88020 30.42461 -5.693972      3.088287  6.328776       6.744414  -8.883635      3.473880  153.4226 61.47611 58.96754 29.52654 94.45506       68.19919 
1 1 1 35  11 4  o 122.2269 44.24298 3.760782       3.271383  -7.791320      6.181691  8.254560       3.855517  92.38408 44.90409 170.3068 46.71925 -77.92270      64.80020 
1 1 1 35  11 5  o 149.8691 58.07879 6.072617       5.843771  12.32164       6.911931  -9.589775      10.94265  194.6735 64.64062 122.8601 59.72338 71.81339       88.00734 
1 1 1 35  11 6  o 158.3401 57.99184 7.289748       5.644308  1.837991       6.671244  21.02259       10.58812  129.7117 56.92297 234.6209 80.01456 -104.9092      98.19650 
1 1 1 35  11 7  o 106.9423 45.02381 1.462555       3.857275  -6.147444      6.179383  6.320742       4.937304  96.70897 46.48450 149.8829 54.33780 -53.17392      71.50807 
1 1 1 35  11 8  o 216.5134 36.71806 12.41638       3.606054  13.99742       4.493769  9.557076       6.043219  224.9366 44.04612 175.2728 60.42770 49.66371       74.77679 
1 1 1 35  11 9  o 236.5490 40.11112 15.09756       4.303827  19.65220       5.567661  8.335316       6.784086  265.1852 46.31846 165.5180 62.97345 99.66725       78.17324 
1 1 1 35  11 10 o 103.1518 41.12567 2.010393       3.002550  3.123712       4.301207  0.9522134      4.193341  121.6661 48.97290 106.1634 45.87342 15.50269       67.10228 
1 1 1 35  11 11 o 85.44707 37.13822 0.1771671      2.780718  0.4188533      3.752543  -0.1171717     4.141175  98.33973 42.93511 99.15723 44.11865 -0.8174973     61.56199 
1 1 1 35  11 12 f 147.9218 41.65259 6.130943       3.021467  8.901034       4.291359  3.407754       4.254874  173.0510 49.94305 122.6760 48.94186 50.37498       69.92577 
1 1 1 35  11 13 o 251.9466 31.26813 16.43848       3.626119  20.05648       6.097843  14.45918       4.510209  259.8076 51.71313 226.4971 43.91674 33.31056       67.84488 
1 1 1 35  11 14 o 283.9986 28.99005 20.66151       3.818584  19.54519       6.487812  21.25321       4.723395  249.5480 56.57309 281.6292 36.51333 -32.08112      67.33303 
1 1 1 35  11 15 o 87.80295 38.76697 0.4720415E-01  3.138131  -1.819560      5.147675  1.151281       3.958822  98.85950 45.93796 103.0947 44.55976 -4.235153      63.99897 
1 1 1 35  11 16 o 99.82123 44.30268 0.4420799      4.150522  0.000000       0.000000  0.4420799      4.150522  ?        ?        99.82123 44.30268 0.000000       44.30268 
1 1 1 35  11 17 o 115.6665 47.39576 3.115519       4.113418  4.604638       5.718860  1.519322       5.920902  131.1662 55.00107 116.3405 52.18545 14.82567       75.81846 
1 1 1 35  11 18 o 128.3524 49.00437 4.908497       4.117197  9.140904       5.865451  0.7975625      5.780667  158.6826 58.94002 110.9573 50.48866 47.72527       77.60818 
1 1 1 35  11 19 o 115.6684 46.80220 3.561256       3.950598  2.811831       5.469506  4.378716       5.712382  116.9457 51.42580 125.9105 53.96260 -8.964760      74.54244 
1 1 1 35  13 0  o 90.87096 38.85204 0.6326228      2.948386  -7.051130      5.385907  3.920570       3.523178  85.80012 41.75253 123.8543 45.74411 -38.05415      61.93382 
1 1 1 35  13 1  o 263.9936 30.92123 17.87773       3.767155  25.84423       7.125416  14.78708       4.438143  296.6947 52.99891 231.8203 42.25561 64.87448       67.78216 
1 1 1 35  13 2  o 244.3874 29.40254 15.21022       3.312295  16.22473       7.142334  14.93225       3.738636  221.6537 64.56512 239.0037 34.23124 -17.35005      73.07825 
1 1 1 35  13 3  o 170.8680 40.13430 8.015096       3.170964  7.071939       6.840814  8.273207       3.578651  157.0723 62.24794 171.3237 44.13387 -14.25136      76.30599 
1 1 1 35  13 4  o 99.92506 43.13189 0.7026891      3.699165  3.635553       6.527831  -0.6846076     4.489600  136.8177 58.13576 100.0423 45.10880 36.77547       73.58377 
1 1 1 35  13 5  o 378.5160 27.94459 35.97836       4.940484  46.73009       8.750732  30.94774       5.985718  410.6065 46.10194 342.1481 37.82309 68.45844       59.63200 
1 1 1 35  13 6  o 172.6713 41.34015 8.242412       3.313310  4.194412       6.511854  9.656487       3.848758  139.6707 58.63523 185.0559 44.71223 -45.38522      73.73788 
1 1 1 35  13 7  o 309.1365 31.21985 24.45261       4.477742  25.64210       7.921799  23.89414       5.428063  287.4933 60.49270 298.5163 39.63508 -11.02301      72.32085 
1 1 1 35  13 8  o 124.5733 47.22145 3.837333       3.805790  7.660524       7.101652  2.296968       4.507733  160.4167 63.47096 117.0343 48.93568 43.38235       80.14526 
1 1 1 35  13 9  o 229.7426 34.85346 13.89955       3.648426  13.19653       4.474424  15.29429       6.302300  215.9760 45.47895 219.5287 59.52903 -3.552704      74.91355 
1 1 1 35  13 10 o 112.4588 41.95646 3.047970       2.978692  5.271235       4.161166  0.7114945      4.265796  137.8222 49.89678 104.7261 45.74886 33.09611       67.69525 
1 1 1 35  13 11 o 125.9759 42.12194 4.326866       2.933681  4.673064       4.245957  4.010621       4.058118  132.3085 49.94395 126.1077 48.53005 6.200783       69.63881 
1 1 1 35  13 12 o 184.5201 39.25001 9.407040       3.302086  11.49822       5.534750  8.251333       4.114587  188.9579 57.29134 165.9210 49.19406 23.03691       75.51393 
1 1 1 35  13 13 o 161.5366 42.08189 7.460736       3.229667  11.82818       5.388014  5.011496       4.034881  191.6310 56.15205 133.4417 49.00761 58.18924       74.53053 
1 1 1 35  13 14 o 296.5287 28.18555 22.54370       3.884260  21.56659       6.511879  23.08337       4.839466  262.8620 54.45423 292.9120 35.87270 -30.05005      65.20823 
1 1 1 35  13 15 o 292.0446 37.61127 23.39897       5.046896  0.000000       0.000000  23.39897       5.046896  ?        ?        292.0446 37.61127 0.000000       37.61127 
1 1 1 35  13 16 o 153.1845 49.25809 7.405844       4.029078  7.012486       5.521784  7.853746       5.892190  146.1495 56.50654 151.6217 58.44115 -5.472198      81.29180 
1 1 1 35  13 17 o 100.9018 46.93659 -1.064209      5.396744  0.000000       0.000000  -1.064209      5.396744  ?        ?        100.9018 46.93659 0.000000       46.93659 
1 1 1 35  13 18 o 122.1582 47.42387 4.384931       3.901618  4.714626       5.503162  4.051724       5.532398  127.3745 53.71028 123.7048 53.06385 3.669724       75.50210 
1 1 1 35  15 0  o 218.3302 30.71883 12.34415       3.067665  13.56421       6.621960  12.01077       3.461499  200.4531 63.00537 211.8377 36.02685 -11.38457      72.57831 
1 1 1 35  15 1  o 166.7918 38.25795 7.626388       2.937836  14.62247       6.693168  5.956872       3.269635  209.2064 62.90647 144.7847 44.06454 64.42174       76.80434 
1 1 1 35  15 2  o 152.8788 43.55960 6.637423       3.284344  5.630203       6.466895  6.987519       3.812649  145.8338 59.55411 154.8976 47.66489 -9.063766      76.27997 
1 1 1 35  15 3  o 165.1714 44.28539 7.779015       3.511308  -0.7119501E-01 6.407636  11.14805       4.197689  117.7583 53.41827 197.1786 46.08442 -79.42036      70.54987 
1 1 1 35  15 4  o 116.4865 42.66563 3.396446       3.055222  -1.240785      6.616417  4.653194       3.444432  114.7781 52.89259 130.7126 45.58887 -15.93444      69.82816 
1 1 1 35  15 5  o 205.6894 33.74362 11.13066       3.151672  19.21522       7.031261  9.097937       3.525696  244.7657 61.22345 180.2282 42.31082 64.53746       74.42121 
1 1 1 35  15 6  o 183.1039 38.36628 9.135794       3.198809  3.379905       6.816233  10.76148       3.622486  135.3109 58.47711 197.8101 40.29868 -62.49918      71.01800 
1 1 1 35  15 7  o 86.66549 38.25075 -0.1063201     3.052370  8.326398       6.797131  -2.236437      3.416202  162.6153 62.74347 79.49851 37.10148 83.11683       72.89214 
1 1 1 35  15 8  o 113.3522 46.23316 2.516178       3.891468  3.686088       7.148918  2.023552       4.638982  137.5016 59.65485 115.2134 48.98328 22.28821       77.18849 
1 1 1 35  15 9  o 109.7700 44.69368 2.326588       3.628600  -2.996433      7.077754  4.224527       4.226272  111.2150 52.37851 128.2080 49.47286 -16.99303      72.04910 
1 1 1 35  15 10 o 142.3275 58.04029 5.496434       6.131415  0.000000       0.000000  5.496434       6.131415  ?        ?        142.3275 58.04029 0.000000       58.04029 
1 1 1 35  15 11 o 101.2943 42.22635 1.615111       3.342038  4.131986       5.200933  -0.1550822     4.361750  130.1475 53.30769 99.56661 44.71690 30.58092       69.57953 
1 1 1 35  15 12 o 165.9189 43.52043 8.012685       3.438867  6.697385       5.574390  8.820792       4.369378  147.3955 56.83458 168.5342 50.86012 -21.13872      76.26875 
1 1 1 35  15 13 o 102.7001 41.91493 2.046550       3.201023  -1.501486      5.259077  4.134563       4.034430  100.3153 46.55255 124.4125 48.24504 -24.09715      67.04271 
1 1 1 35  15 14 o 80.93676 36.75734 -0.7515200     3.045120  -3.278835      4.799002  0.9519076      3.939881  88.97051 42.26489 100.3991 43.90970 -11.42861      60.94573 
1 1 1 35  15 15 o 143.5610 49.03426 6.482730       3.976367  -0.4123068     5.374065  14.82461       5.911078  103.9712 47.82203 206.4865 58.30015 -102.5153      75.40460 
1 1 1 35  15 16 o 89.16830 40.12704 -0.9432788E-01 3.532455  3.213437       4.879591  -3.736623      5.120398  117.8857 50.18121 89.04001 42.66986 28.84570       65.87011 
1 1 1 35  17 0  o 112.8582 47.28964 2.299735       4.222636  7.330560       6.614375  -1.161118      5.486063  153.0033 61.02750 104.6189 48.19317 48.38439       77.76205 
1 1 1 35  17 1  o 104.8706 43.09367 1.984205       3.412564  2.919739       5.982604  1.532997       4.154788  126.8765 54.80841 107.5862 46.06285 19.29029       71.59433 
1 1 1 35  17 2  o 122.6096 45.47195 3.950165       3.488518  3.323425       6.167989  4.244947       4.230094  130.0783 55.91983 127.7624 49.44089 2.315903       74.64201 
1 1 1 35  17 3  o 120.9977 41.11803 3.963136       2.795955  -0.6759810     6.413966  5.051489       3.106661  113.9713 52.35601 133.7716 43.27850 -19.80026      67.92776 
1 1 1 35  17 4  o 213.4883 31.44356 11.90432       3.063163  5.850179       6.227091  13.83691       3.518263  144.6321 58.67614 228.8101 33.69661 -84.17799      67.66351 
1 1 1 35  17 5  o 195.5838 33.01330 10.12081       2.929192  2.007134       6.137943  12.51362       3.333247  123.5700 54.40498 217.4136 33.68137 -93.84357      63.98700 
1 1 1 35  17 6  o 121.1553 41.45224 3.978385       2.841780  -0.8362070     6.188590  5.264868       3.198998  111.6417 51.33833 136.0078 43.90808 -24.36608      67.55401 
1 1 1 35  17 7  o 178.7705 37.82193 8.795235       3.081317  9.866232       7.066010  8.543748       3.424028  169.1298 64.28755 172.9751 42.40747 -3.845352      77.01482 
1 1 1 35  17 8  o 443.2682 24.00791 49.00310       4.987329  38.64447       8.967479  53.64199       6.001043  353.2166 55.82616 459.2990 27.90775 -106.0825      62.41315 
1 1 1 35  17 9  o 304.0381 37.97917 25.17485       5.313306  0.000000       0.000000  25.17485       5.313306  ?        ?        304.0381 37.97917 0.000000       37.97917 
1 1 1 35  17 10 o 134.2897 50.49388 5.201283       4.330733  0.000000       0.000000  5.201283       4.330733  ?        ?        134.2897 50.49388 0.000000       50.49388 
1 1 1 35  17 11 o 108.0168 49.98418 -0.8992272     6.000162  0.000000       0.000000  -0.8992272     6.000162  ?        ?        108.0168 49.98418 0.000000       49.98418 
1 1 1 35  17 12 o 202.1028 38.14276 11.42410       3.493274  13.56421       5.765451  10.18271       4.391059  199.0165 58.01970 179.7351 50.07358 19.28142       76.63974 
1 1 1 35  17 13 f 133.2580 44.94626 5.316547       3.340571  -0.7684305     5.426267  9.030247       4.239113  103.0095 47.62011 167.9711 49.96287 -64.96160      69.02148 
1 1 1 35  17 14 o 123.6517 47.72082 4.402408       3.932627  1.628716       5.246024  7.960762       5.941905  111.4610 49.62025 149.8333 58.42533 -38.37234      76.65304 
1 1 1 35  19 0  o 121.0565 42.79786 4.084270       3.042378  -3.721760      6.001933  6.783592       3.529421  98.24860 46.84013 149.9899 45.81123 -51.74126      65.51844 
1 1 1 35  19 1  o 241.3951 28.02687 15.03470       3.123301  16.49227       6.987616  14.67078       3.491494  213.2956 64.30666 235.0500 32.44253 -21.75436      72.02682 
1 1 1 35  19 2  o 122.0001 40.33802 4.158689       2.692689  6.293104       6.324036  3.686044       2.975927  144.1259 58.87876 116.9904 42.22077 27.13550       72.45207 
1 1 1 35  19 3  o 197.3464 31.64232 10.31677       2.838171  8.296671       6.269837  10.83740       3.182956  156.9378 60.34048 199.8567 35.13926 -42.91893      69.82651 
1 1 1 35  19 4  o 131.2921 41.35796 4.925270       2.851562  -0.9788942     5.897714  6.726630       3.257652  107.3726 49.64016 151.3886 43.46278 -44.01601      65.97847 
1 1 1 35  19 5  o 232.7796 29.91641 14.13529       3.200033  18.79608       6.937583  12.87565       3.606627  233.3054 62.11255 216.9496 36.64591 16.35577       72.11721 
1 1 1 35  19 6  o 194.4342 35.45029 10.30586       3.122897  6.310940       6.570065  11.47187       3.549506  144.3825 59.61393 202.8883 38.60176 -58.50575      71.02053 
1 1 1 35  19 7  o 177.0391 37.49582 8.734981       3.025448  11.71819       6.379665  7.869398       3.436449  180.3231 62.09169 163.1627 43.83781 17.16040       76.00744 
1 1 1 35  19 8  o 162.2850 43.58040 7.797686       3.397210  0.000000       0.000000  7.797686       3.397210  ?        ?        162.2850 43.58040 0.000000       43.58040 
1 1 1 35  19 9  o 93.05067 40.34868 0.7799717      3.267020  0.000000       0.000000  0.7799717      3.267020  ?        ?        93.05067 40.34868 0.000000       40.34868 
1 1 1 35  19 10 o 61.37422 30.41165 -6.451597      3.302710  0.000000       0.000000  -6.451597      3.302710  ?        ?        61.37422 30.41165 0.000000       30.41165 
1 1 1 35  21 0  o 174.0979 43.82389 9.170451       3.586448  0.000000       0.000000  9.170451       3.586448  ?        ?        174.0979 43.82389 0.000000       43.82389 
1 1 1 35  21 1  o 113.6457 43.66865 3.437042       3.282566  13.41855       6.499296  0.1892390E-01  3.803310  187.3859 62.69510 92.73703 41.69403 94.64890       75.29321 
1 1 1 35  21 2  o 408.0874 18.59806 40.86158       3.570180  33.38288       7.732528  42.88779       4.024864  324.7968 52.39333 416.1740 20.55923 -91.37717      56.28270 
1 1 1 35  21 3  o 138.4778 39.66612 5.584325       2.716150  7.624852       5.991531  5.056505       3.047259  148.5999 58.45666 130.6621 42.89779 17.93777       72.50794 
1 1 1 35  21 4  o 167.7385 36.38051 7.898629       2.787951  4.640309       6.145455  8.742994       3.128400  131.1672 56.08652 174.5919 39.06756 -43.42470      68.35182 
1 1 1 35  21 5  o 93.00166 38.24376 1.552514       2.690052  -9.791915      5.810365  4.647549       3.034904  80.50463 39.96774 125.9852 42.83890 -45.48058      58.58833 
1 1 1 35  21 6  o 109.3962 40.59438 3.177221       2.781037  4.661118       5.807005  2.735591       3.167960  130.1006 55.03328 106.8631 42.35715 23.23755       69.44631 
1 1 1 36  0  0  o 153.3501 66.72305 8.416054       4.987879  8.416054       4.987879  8.416054       4.987879  153.3501 66.72305 153.3501 66.72305 0.000000       0.000000 
1 1 1 36  0  1  o 65.41465 45.41334 -3.845513      4.893162  -3.845513      4.893162  -3.845513      4.893162  65.41465 45.41334 65.41465 45.41334 0.000000       0.000000 
1 1 1 36  0  2  o 207.1045 67.13900 13.50486       5.783481  13.50486       5.783481  13.50486       5.783481  207.1045 67.13900 207.1045 67.13900 0.000000       0.000000 
1 1 1 36  0  3  o 98.99194 56.87688 3.258065       4.226969  3.258065       4.226969  3.258065       4.226969  98.99194 56.87688 98.99194 56.87688 0.000000       0.000000 
1 1 1 36  0  4  o 75.51085 49.12269 -0.9924458E-02 4.203575  -0.9924458E-02 4.203575  -0.9924458E-02 4.203575  75.51085 49.12269 75.51085 49.12269 0.000000       0.000000 
1 1 1 36  0  5  o 85.40584 53.40368 1.363651       4.407801  1.363651       4.407801  1.363651       4.407801  85.40584 53.40368 85.40584 53.40368 0.000000       0.000000 
1 1 1 36  0  6  o 63.99940 43.75246 -2.285845      4.144020  -2.285845      4.144020  -2.285845      4.144020  63.99940 43.75246 63.99940 43.75246 0.000000       0.000000 
1 1 1 36  0  7  f 311.2817 34.97136 24.20075       4.954659  24.20075       4.954659  24.20075       4.954659  311.2817 34.97136 311.2817 34.97136 0.000000       0.000000 
1 1 1 36  0  8  o 84.13721 53.23746 1.067042       4.525280  1.067042       4.525280  1.067042       4.525280  84.13721 53.23746 84.13721 53.23746 0.000000       0.000000 
1 1 1 36  0  9  o 128.1991 72.99610 6.117718       6.874007  6.117718       6.874007  6.117718       6.874007  128.1991 72.99610 128.1991 72.99610 0.000000       0.000000 
1 1 1 36  0  10 o 64.73785 44.64073 -2.985485      4.532535  -2.985485      4.532535  -2.985485      4.532535  64.73785 44.64073 64.73785 44.64073 0.000000       0.000000 
1 1 1 36  0  11 o 90.80084 55.57756 2.126479       4.534433  2.126479       4.534433  2.126479       4.534433  90.80084 55.57756 90.80084 55.57756 0.000000       0.000000 
1 1 1 36  0  13 o 118.1980 60.83353 5.347215       4.320483  5.347215       4.320483  5.347215       4.320483  118.1980 60.83353 118.1980 60.83353 0.000000       0.000000 
1 1 1 36  0  14 o 104.5660 59.30476 3.982134       4.513596  3.982134       4.513596  3.982134       4.513596  104.5660 59.30476 104.5660 59.30476 0.000000       0.000000 
1 1 1 36  0  15 o 99.85035 61.48226 2.835018       5.623688  2.835018       5.623688  2.835018       5.623688  99.85035 61.48226 99.85035 61.48226 0.000000       0.000000 
1 1 1 36  0  16 o 93.21309 60.29454 1.145957       6.213056  1.145957       6.213056  1.145957       6.213056  93.21309 60.29454 93.21309 60.29454 0.000000       0.000000 
1 1 1 36  0  17 o 84.36124 55.33622 0.2882283      5.498429  0.2882283      5.498429  0.2882283      5.498429  84.36124 55.33622 84.36124 55.33622 0.000000       0.000000 
1 1 1 36  0  18 o 140.9213 72.51933 8.486921       6.139348  8.486921       6.139348  8.486921       6.139348  140.9213 72.51933 140.9213 72.51933 0.000000       0.000000 
1 1 1 36  0  19 o 160.7613 76.92503 11.11475       6.687061  11.11475       6.687061  11.11475       6.687061  160.7613 76.92503 160.7613 76.92503 0.000000       0.000000 
1 1 1 36  0  20 o 77.04518 52.68581 -1.920333      6.018359  -1.920333      6.018359  -1.920333      6.018359  77.04518 52.68581 77.04518 52.68581 0.000000       0.000000 
1 1 1 36  2  0  o 104.1787 43.51865 1.563108       3.560155  4.192225       5.116877  -0.9038702     4.956588  132.8477 53.43567 103.0074 46.82502 29.84026       71.04894 
1 1 1 36  2  1  o 105.8853 43.72776 1.796021       3.536035  6.624405       5.103782  -2.661099      4.903638  151.2251 55.18168 95.23752 44.44810 55.98753       70.85655 
1 1 1 36  2  2  o 147.8849 42.43815 6.099229       3.106484  13.69798       6.137165  3.481669       3.602011  208.0824 59.63086 120.5641 45.88253 87.51825       75.23993 
1 1 1 36  2  3  o 261.2505 31.31219 17.51108       3.771372  15.62723       6.987550  18.28543       4.479916  218.4784 63.92525 262.6709 37.30495 -44.19255      74.01417 
1 1 1 36  2  4  o 313.3052 23.46472 24.22740       3.433102  21.15190       4.889739  27.21737       4.821265  282.4823 37.74190 325.9323 31.85307 -43.44998      49.38693 
1 1 1 36  2  5  o 122.0814 42.46925 3.878930       2.988240  9.676785       4.357263  -1.269401      4.105946  182.1483 49.54176 93.15337 42.45066 88.99494       65.24143 
1 1 1 36  2  6  o 214.5999 33.26266 11.98789       3.249139  13.94233       4.647256  10.11898       4.544423  222.7459 45.87983 185.5918 50.64300 37.15411       68.33500 
1 1 1 36  2  7  o 293.9876 25.51667 21.52201       3.493762  24.12235       5.005005  19.05072       4.879244  303.6560 35.72209 266.0226 40.24890 37.63336       53.81488 
1 1 1 36  2  8  o 131.0764 47.09178 4.544690       3.697639  5.643255       4.426328  2.007432       6.726869  142.7666 51.49649 130.0422 57.11166 12.72438       76.90014 
1 1 1 36  2  9  o 185.4117 52.90176 10.29839       4.840764  4.319263       6.561260  17.44055       7.171058  140.5178 58.91713 231.6104 63.78973 -91.09262      86.83523 
1 1 1 36  2  10 o 138.2964 48.30355 5.283474       3.867522  1.760107       6.624721  7.105217       4.763566  127.9081 56.40775 155.4543 53.64666 -27.54617      77.84470 
1 1 1 36  2  11 o 232.6565 33.61060 14.13715       3.571769  9.491360       4.903487  19.38839       5.213217  176.6330 54.00576 265.0647 43.30619 -88.43167      69.22462 
1 1 1 36  2  12 o 290.5762 26.61460 21.21907       3.597472  23.27595       5.107929  19.19463       5.067501  295.5046 37.59751 264.1899 42.19622 31.31473       56.51632 
1 1 1 36  2  13 o 67.36707 32.51165 -4.029859      3.099329  -3.422375      4.278579  -4.700563      4.495702  84.98231 40.23470 82.90353 39.79606 2.078773       56.59114 
1 1 1 36  2  14 o 126.1811 44.00392 4.345461       3.209057  2.314666       4.504988  6.437437       4.572345  115.6159 48.66547 147.2777 52.42403 -31.66184      71.53046 
1 1 1 36  2  15 o 93.52948 41.14273 0.2728363      3.503457  2.173306       5.671541  -0.8998243     4.455093  121.1929 52.85176 96.79050 44.15096 24.40237       68.86665 
1 1 1 36  2  16 o 91.19789 40.37176 0.1093325      3.425234  8.804995       5.905537  -4.298861      4.204733  161.9868 59.31997 79.92335 38.39766 82.06342       70.66286 
1 1 1 36  2  17 o 97.83710 43.40508 0.4170888      3.980257  5.130797       5.751569  -3.914982      5.513823  135.3376 55.81822 93.58992 44.69535 41.74771       71.50768 
1 1 1 36  2  18 o 69.08751 33.96538 -6.152973      3.846411  -6.599287      5.159375  -5.594531      5.771193  81.95829 40.09440 90.05775 43.68419 -8.099464      59.29477 
1 1 1 36  2  19 o 121.4245 48.72882 4.103316       4.244507  4.274673       5.911189  3.920928       6.098470  126.9551 54.66192 125.6837 54.80770 1.271339       77.40678 
1 1 1 36  2  20 o 119.0516 53.84645 2.697979       6.455000  2.697979       6.455000  0.000000       0.000000  119.0516 53.84645 ?        ?        0.000000       53.84645 
1 1 1 36  4  0  f 187.8896 43.95160 9.975464       3.815455  13.62795       5.742253  7.088167       5.105447  208.9691 56.88808 154.3117 55.34602 54.65733       79.36898 
1 1 1 36  4  1  o 166.1700 50.20631 8.157313       4.255906  13.09750       6.926145  5.160523       5.394458  197.5469 64.66457 140.5845 55.41526 56.96240       85.16078 
1 1 1 36  4  2  o 106.0887 45.29211 1.247209       3.996274  -2.133472      6.421842  3.383754       5.105210  110.6970 51.39558 127.7658 52.62921 -17.06884      73.56181 
1 1 1 36  4  3  o 120.5287 44.01984 3.658404       3.248910  11.45660       6.599973  1.164382       3.732460  187.2289 63.17617 103.2110 43.91022 84.01787       76.93723 
1 1 1 36  4  4  o 186.1487 42.38852 9.618700       3.628620  11.62901       6.937844  8.861709       4.257338  187.6380 64.74302 174.0139 49.59823 13.62418       81.55761 
1 1 1 36  4  5  o 109.2312 41.48979 2.692013       2.941749  3.351918       4.229866  2.073826       4.093984  123.0674 48.89219 112.7676 46.84946 10.29987       67.71498 
1 1 1 36  4  6  o 286.4513 26.99877 20.58007       3.595094  24.22650       5.021016  16.74405       5.149894  304.1806 35.77408 243.9524 46.57587 60.22820       58.72901 
1 1 1 36  4  7  o 79.04095 37.18914 -2.834954      3.551853  -7.092668      4.339849  5.802617       6.181334  74.44036 36.49147 147.9983 59.00703 -73.55791      69.37909 
1 1 1 36  4  8  o 178.3110 41.30942 8.774858       3.397001  9.121326       4.735109  8.407440       4.876166  174.5470 53.00684 167.3378 54.22923 7.209152       75.83228 
1 1 1 36  4  9  o 138.5281 44.32452 5.326932       3.265497  7.630148       4.680868  3.143226       4.557809  160.3983 53.19167 123.2852 50.13146 37.11304       73.09252 
1 1 1 36  4  10 o 231.9818 32.76356 13.97859       3.475806  8.019764       4.789346  20.60956       5.052249  163.4871 53.78478 276.4472 40.01497 -112.9601      67.03731 
1 1 1 36  4  11 o 93.44285 41.56894 -0.2371123     3.674821  9.366826       6.820031  -4.166235      4.362239  170.5664 63.51558 83.55293 39.86120 87.01343       74.98763 
1 1 1 36  4  12 o 230.8558 33.39132 13.95428       3.520789  12.67506       5.081721  15.13518       4.882544  204.9929 52.47604 230.0999 46.70425 -25.10706      70.24971 
1 1 1 36  4  13 o 153.1086 42.73354 6.659785       3.195026  8.381667       4.651440  5.121654       4.396249  165.4866 52.89569 136.3111 50.94859 29.17557       73.44190 
1 1 1 36  4  14 o 107.9843 44.07946 2.223200       3.540962  9.143877       5.963295  -1.545913      4.400799  167.1167 59.82840 93.60481 43.13597 73.51187       73.75737 
1 1 1 36  4  15 o 133.5262 46.13131 5.099971       3.522876  -2.281808      5.957017  9.070118       4.368694  104.0248 48.69304 171.6030 50.64191 -67.57822      70.25394 
1 1 1 36  4  16 o 108.6144 44.46892 2.392720       3.617292  1.697979       6.365665  2.724046       4.396023  121.2865 54.27755 115.8009 48.36464 5.485573       72.69932 
1 1 1 36  4  17 o 88.23946 39.85336 -0.4464850     3.521426  -5.793698      5.497248  3.274641       4.585838  87.74638 42.57949 119.3411 49.58249 -31.59476      65.35622 
1 1 1 36  4  18 o 252.6212 43.87506 18.77799       5.024666  22.06005       7.241876  15.73127       6.977403  248.8273 62.07514 201.7833 64.81519 47.04393       89.74593 
1 1 1 36  4  19 o 99.02356 47.16183 -2.720274      6.052412  -2.720274      6.052412  0.000000       0.000000  99.02356 47.16183 ?        ?        0.000000       47.16183 
1 1 1 36  4  20 o 242.4486 62.87194 22.53270       7.230721  22.53270       7.230721  0.000000       0.000000  242.4486 62.87194 ?        ?        0.000000       62.87194 
1 1 1 36  4  21 o 119.4323 52.89542 3.870393       5.886620  3.870393       5.886620  0.000000       0.000000  119.4323 52.89542 ?        ?        0.000000       52.89542 
1 1 1 36  6  0  f 386.0598 25.76795 37.23919       4.652664  37.67061       6.968002  36.89207       6.250103  373.0878 40.34596 374.1674 35.95274 -1.079681      54.04069 
1 1 1 36  6  1  o 118.5625 43.84732 3.511256       3.239174  1.979192       6.145370  4.100653       3.811651  125.3522 54.83076 126.5235 47.41082 -1.171341      72.48585 
1 1 1 36  6  2  o 183.9076 38.13040 9.168781       3.190410  5.588585       6.229960  10.44147       3.714438  145.7873 58.84863 194.0292 41.92097 -48.24194      72.25323 
1 1 1 36  6  3  o 83.32673 37.42690 -0.6869146     3.056292  -1.431629      6.406696  -0.4675059     3.477492  113.0930 52.09061 89.96555 40.19935 23.12743       65.79832 
1 1 1 36  6  4  o 131.4204 44.59424 4.691781       3.288645  3.712842       6.821201  4.988234       3.753712  138.1664 59.08480 135.2082 47.56673 2.958237       75.85254 
1 1 1 36  6  5  o 146.2747 51.08611 6.074494       4.325897  7.719977       6.888442  5.002973       5.558718  160.9605 62.86747 140.6274 55.99161 20.33308       84.18658 
1 1 1 36  6  6  o 64.42614 31.52420 -5.350854      3.194453  -7.349899      4.051219  -2.064804      5.194115  70.15469 34.56096 100.6458 46.54952 -30.49109      57.97687 
1 1 1 36  6  7  o 211.7485 33.31839 11.69885       3.209095  13.08945       4.550733  10.32329       4.526058  214.9407 46.37030 187.3991 50.29327 27.54158       68.40774 
1 1 1 36  6  8  o 147.5307 41.43666 6.041537       2.994192  6.378427       4.251349  5.709957       4.217706  149.0213 50.70234 142.7493 50.39923 6.272003       71.48993 
1 1 1 36  6  9  o 86.80895 38.06638 0.1728125E-02  2.978404  1.886384       4.329237  -1.691911      4.103984  113.0160 47.64610 90.83279 41.78329 22.18319       63.37187 
1 1 1 36  6  10 o 120.0078 43.71961 3.657183       3.201855  -1.341997      4.441631  9.065570       4.619840  95.96444 43.89367 173.6197 52.27567 -77.65530      68.25980 
1 1 1 36  6  11 o 119.3547 43.35687 3.639702       3.145687  1.407396       4.557352  5.671080       4.347415  111.3005 47.95851 141.6813 51.04513 -30.38087      70.04016 
1 1 1 36  6  12 o 152.0215 47.29134 6.731231       3.741578  7.824020       6.820992  6.260895       4.474901  158.9883 62.42653 146.4709 51.89167 12.51738       81.17768 
1 1 1 36  6  13 o 82.79092 37.81365 -1.177609      3.281207  -3.891201      5.240265  0.5724386      4.208293  93.04753 44.19099 102.6842 45.13260 -9.636635      63.16483 
1 1 1 36  6  14 o 109.2974 43.84397 2.515504       3.434625  3.706897       5.399395  1.705768       4.451325  128.4336 53.61730 110.8357 47.57217 17.59795       71.67934 
1 1 1 36  6  15 o 124.2599 46.05878 4.194335       3.578172  0.9803805      5.943813  6.021113       4.481137  116.3062 52.22007 141.7899 51.71120 -25.48365      73.49139 
1 1 1 36  6  16 o 149.5315 45.78044 6.718004       3.522241  4.378716       5.731262  8.137767       4.464947  131.2390 55.04763 159.8223 51.90005 -28.58327      75.65617 
1 1 1 36  6  17 o 72.05853 34.58380 -3.536753      3.391736  2.331154       5.414615  -7.326073      4.351176  117.3043 51.38498 71.95640 35.51814 45.34795       62.46563 
1 1 1 36  6  18 o 213.1802 61.97722 16.81332       6.586922  16.81332       6.586922  0.000000       0.000000  213.1802 61.97722 ?        ?        0.000000       61.97722 
1 1 1 36  6  19 o 124.7081 54.34580 4.075506       5.987131  4.075506       5.987131  0.000000       0.000000  124.7081 54.34580 ?        ?        0.000000       54.34580 
1 1 1 36  6  20 o 237.6520 60.79294 21.34067       6.823593  21.34067       6.823593  0.000000       0.000000  237.6520 60.79294 ?        ?        0.000000       60.79294 
1 1 1 36  8  0  o 206.6531 40.18693 11.74268       3.765910  14.58680       6.596331  10.36742       4.586907  209.5164 62.32582 185.7062 50.96426 23.81023       80.51003 
1 1 1 36  8  1  o 84.33350 37.55067 -0.3811963     3.005852  -6.822236      6.049836  1.729993       3.463612  92.58842 44.86759 104.3233 43.19589 -11.73486      62.28150 
1 1 1 36  8  2  o 156.2629 42.58425 6.873085       3.215667  7.208681       6.637457  6.770157       3.675862  156.2402 61.50638 153.2792 46.73777 2.960999       77.24930 
1 1 1 36  8  3  o 318.5673 25.86220 25.35867       3.842119  43.13318       8.307499  20.52232       4.333417  393.4788 45.73598 280.9485 33.44680 112.5303       56.66100 
1 1 1 36  8  4  o 150.5065 48.54849 6.526983       3.911511  7.832938       6.764578  5.870999       4.794278  160.9224 62.45244 144.6082 53.37117 16.31418       82.15102 
1 1 1 36  8  5  o 275.2230 34.93024 19.83697       4.420442  25.64210       7.803668  17.09416       5.364020  288.0146 59.56520 244.3574 48.37733 43.65721       76.73578 
1 1 1 36  8  6  o 130.9132 46.27819 4.605542       3.557230  10.05351       7.128202  2.798869       4.104900  175.4761 65.01550 117.7801 47.68967 57.69592       80.63076 
1 1 1 36  8  7  o 313.9837 22.97755 24.32242       3.370183  31.44341       5.023182  18.49282       4.544939  350.9945 30.73316 263.4237 37.75766 87.57080       48.68438 
1 1 1 36  8  8  o 93.87886 38.90757 1.190553       2.813811  7.200262       4.053463  -4.398765      3.909119  157.0518 49.28312 77.29383 37.10480 79.75800       61.68948 
1 1 1 36  8  9  o 118.0431 41.70986 3.597183       2.889280  1.388247       3.962486  6.104891       4.221966  106.4204 45.25858 145.8072 50.49427 -39.38675      67.80862 
1 1 1 36  8  10 o 241.6824 28.27367 14.85430       3.153625  18.25165       4.314493  10.95698       4.621072  262.5475 35.87303 191.8012 50.51706 70.74623       61.95844 
1 1 1 36  8  11 o 122.6508 41.66536 4.046979       2.870875  1.382553       3.932250  7.088253       4.201138  105.6325 45.00833 154.4873 50.35206 -48.85473      67.53577 
1 1 1 36  8  12 f 140.7208 44.96602 5.667337       3.361559  9.720572       5.734800  3.545688       4.149103  172.8895 58.88727 122.3193 48.47741 50.57018       76.27431 
1 1 1 36  8  13 o 205.0486 48.78913 12.52415       4.637732  0.000000       0.000000  12.52415       4.637732  ?        ?        205.0486 48.78913 0.000000       48.78913 
1 1 1 36  8  14 o 181.6094 41.52710 9.385031       3.470455  12.64566       5.866556  7.629691       4.304405  194.1147 59.01242 157.1597 50.95285 36.95506       77.96575 
1 1 1 36  8  15 o 418.9528 24.17445 44.02416       4.743974  59.83948       8.522276  36.92319       5.710517  465.9947 39.24341 373.9929 32.79063 92.00183       51.13972 
1 1 1 36  8  16 o 216.4487 38.60444 13.12349       3.786472  8.766351       6.005538  15.99843       4.878268  158.4500 59.48413 231.5146 46.40984 -73.06458      75.44690 
1 1 1 36  8  17 o 146.9427 51.26751 7.010930       4.356148  4.925684       6.088815  9.197385       6.234828  132.3272 56.18479 158.4361 60.34849 -26.10893      82.45406 
1 1 1 36  8  18 o 92.55626 42.14379 -0.2889985     4.036244  5.276457       5.718418  -5.814507      5.697859  131.5573 55.07185 87.68094 42.72846 43.87636       69.70387 
1 1 1 36  8  19 o 123.6352 53.31929 4.274673       5.642936  4.274673       5.642936  0.000000       0.000000  123.6352 53.31929 ?        ?        0.000000       53.31929 
1 1 1 36  10 0  o 118.6174 41.46095 3.712698       2.849651  11.51903       5.742415  1.162231       3.282320  188.5533 58.57575 97.94811 41.40072 90.60514       71.72962 
1 1 1 36  10 1  o 183.4474 37.79480 9.159120       3.152941  9.991083       6.329054  8.884494       3.636275  174.3422 61.71849 176.5369 43.95655 -2.194733      75.77171 
1 1 1 36  10 2  o 190.5221 42.54251 10.17416       3.716347  17.21165       6.388726  6.574898       4.568902  233.9159 58.27581 149.6015 52.48709 84.31441       78.42809 
1 1 1 36  10 3  o 205.1900 66.69715 14.57491       7.373201  14.57491       7.373201  0.000000       0.000000  205.1900 66.69715 ?        ?        0.000000       66.69715 
1 1 1 36  10 4  o 213.9423 43.51299 12.80424       4.230000  18.15696       7.635297  10.43384       5.081003  230.8867 66.61299 184.0502 54.68919 46.83643       86.18700 
1 1 1 36  10 5  o 308.3539 30.56952 24.33671       4.375689  0.000000       0.000000  24.33671       4.375689  ?        ?        308.3539 30.56952 0.000000       30.56952 
1 1 1 36  10 6  o 142.7928 49.17989 5.800790       4.002377  7.226517       6.814200  5.049869       4.945315  156.4936 62.09252 138.0800 53.45079 18.41360       81.92965 
1 1 1 36  10 7  o 103.0606 42.55145 1.692120       3.347233  -0.3935791     6.294897  2.514311       3.952292  115.7361 52.67215 114.1740 46.58352 1.562149       70.31629 
1 1 1 36  10 8  o 219.8502 30.63782 12.47772       3.082387  11.06958       4.433227  13.79552       4.288672  194.3094 48.62017 222.8660 42.45852 -28.55653      64.54957 
1 1 1 36  10 9  o 127.1957 41.73882 4.427710       2.884961  5.398024       4.154108  3.523717       4.009630  138.5591 49.89978 121.9888 47.87423 16.57030       69.15150 
1 1 1 36  10 10 o 142.4799 41.29837 5.706560       2.928655  3.947784       4.046554  7.641143       4.243983  125.3108 48.39425 159.5445 50.47617 -34.23377      69.92744 
1 1 1 36  10 11 o 79.78681 36.19983 -0.9123702     2.944274  1.610286       4.251033  -3.238155      4.081786  109.1744 46.66411 83.05737 39.31612 26.11706       61.01883 
1 1 1 36  10 12 o 210.9802 35.12279 11.93894       3.363231  10.77586       5.146695  12.80577       4.443142  183.6640 55.14812 209.5222 46.31268 -25.85822      72.01514 
1 1 1 36  10 13 o 166.4312 48.48094 8.413397       4.026988  0.000000       0.000000  8.413397       4.026988  ?        ?        166.4312 48.48094 0.000000       48.48094 
1 1 1 36  10 14 o 118.8995 47.72944 3.423882       4.073489  0.000000       0.000000  3.423882       4.073489  ?        ?        118.8995 47.72944 0.000000       47.72944 
1 1 1 36  10 15 o 97.95690 41.46390 1.415550       3.299928  4.741380       5.355145  -0.6204621     4.189975  131.3921 53.98655 94.02700 42.86196 37.36509       68.93254 
1 1 1 36  10 16 o 227.5791 44.17232 15.33070       4.558271  24.07848       6.627785  7.479192       6.279078  274.3079 53.28463 147.5260 59.24525 126.7819       79.68219 
1 1 1 36  10 17 o 159.3569 49.39923 8.289627       4.086610  9.146850       5.738963  7.407848       5.820580  157.6865 58.35427 145.2580 57.46537 12.42842       81.89927 
1 1 1 36  10 18 o 196.4214 47.07461 12.24949       4.292791  18.17479       6.347907  7.256243       5.827297  222.3953 59.50909 141.7790 57.02584 80.61632       82.42135 
1 1 1 36  12 0  o 446.3401 22.05079 49.03952       4.629768  48.39477       8.345362  49.32618       5.564607  416.8135 43.18998 442.2548 26.87548 -25.44122      50.86910 
1 1 1 36  12 1  o 178.9664 43.25885 9.131155       3.601474  13.87337       6.404668  6.938241       4.355289  203.4762 61.61519 152.0798 51.32046 51.39636       80.18866 
1 1 1 36  12 2  o 220.9622 38.59935 13.28719       3.866039  21.09988       6.969448  9.814667       4.646445  258.3792 58.67963 179.2045 52.04046 79.17471       78.43155 
1 1 1 36  12 3  f 105.9431 41.38312 2.418414       2.985030  -4.298455      6.471291  4.233856       3.364330  102.8741 48.93115 125.6869 44.94417 -22.81277      66.43971 
1 1 1 36  12 4  f 307.3097 26.09914 23.71935       3.737177  30.17242       8.082649  21.96464       4.214766  313.7476 56.85877 291.7717 31.19195 21.97583       64.85258 
1 1 1 36  12 5  o 294.4377 27.75346 21.96187       3.798615  30.41023       7.778169  19.31580       4.353029  318.9189 53.75929 270.4371 35.04201 48.48184       64.17168 
1 1 1 36  12 6  o 257.8100 29.03606 16.98994       3.460026  26.70036       7.567619  14.42353       3.890483  294.9830 56.59578 231.8583 36.90790 63.12463       67.56682 
1 1 1 36  12 7  o 193.1719 37.19217 10.11216       3.256963  11.19203       7.018534  9.815800       3.676828  180.3795 64.87142 186.3242 42.84493 -5.944687      77.74310 
1 1 1 36  12 8  o 119.3826 44.56884 3.622120       3.362254  3.662307       6.611542  3.608101       3.904891  134.4189 57.84272 121.6875 47.38742 12.73140       74.77531 
1 1 1 36  12 9  o 138.7565 40.84922 5.417241       2.845543  6.560767       4.069438  4.323180       3.980449  148.6205 49.61040 127.7528 48.32507 20.86771       69.25680 
1 1 1 36  12 10 o 249.8105 31.40118 16.26890       3.608459  24.88704       6.282854  12.02684       4.407973  293.4618 47.10664 202.1355 47.21223 91.32637       66.69355 
1 1 1 36  12 11 o 96.76066 40.86560 1.227560       3.193848  -1.551427      5.213323  2.897215       4.040962  100.5689 46.55673 115.7225 47.14648 -15.15358      66.25948 
1 1 1 36  12 12 o 125.5204 44.58445 4.402425       3.305401  3.469085       5.509100  4.927400       4.131709  126.1232 53.49084 131.7550 49.36315 -5.631805      72.78729 
1 1 1 36  12 13 o 135.4973 48.23012 5.450810       3.870023  4.678954       5.272266  6.352557       5.698646  131.6325 53.76581 143.3282 56.81007 -11.69574      78.21857 
1 1 1 36  12 14 o 72.09144 35.24852 -5.697133      3.971632  0.000000       0.000000  -5.697133      3.971632  ?        ?        72.09144 35.24852 0.000000       35.24852 
1 1 1 36  12 15 o 180.4218 61.66929 12.23544       6.289676  0.000000       0.000000  12.23544       6.289676  ?        ?        180.4218 61.66929 0.000000       61.66929 
1 1 1 36  12 16 o 139.9083 49.70388 6.329662       4.108246  4.777052       5.878261  7.812129       5.743942  129.3492 55.06960 147.9886 57.51638 -18.63942      79.62911 
1 1 1 36  14 0  f 168.6008 37.87509 7.885413       2.930540  5.267539       6.209632  8.635542       3.323988  139.5867 57.82065 174.3108 41.19125 -34.72408      70.99258 
1 1 1 36  14 1  o 236.0007 31.67189 14.58558       3.427335  16.65280       6.918854  13.91337       3.945421  219.4737 63.43700 225.0999 38.65293 -5.626144      74.28528 
1 1 1 36  14 2  o 123.9084 41.62560 4.228066       2.865085  -1.027943      6.813349  5.357134       3.157857  114.8662 53.19246 136.9017 43.56507 -22.03550      68.75574 
1 1 1 36  14 3  o 122.9639 42.02908 4.132669       2.921393  2.399525       6.575768  4.558863       3.260866  127.3381 56.17546 128.1030 44.37556 -0.7649231     71.58822 
1 1 1 36  14 4  o 162.3008 41.08340 7.455196       3.139467  16.52794       6.952583  5.131435       3.518620  219.3440 63.64697 134.3408 46.12104 85.00314       78.60081 
1 1 1 36  14 5  o 125.5598 43.34087 4.337410       3.109247  2.209869       6.784549  4.903040       3.498229  127.6052 56.63753 131.9715 45.94827 -4.366226      72.93184 
1 1 1 36  14 6  o 175.3001 40.31987 8.623119       3.255539  9.765162       7.252375  8.334919       3.643232  168.2657 64.84219 169.0009 45.01961 -0.7352600     78.93842 
1 1 1 36  14 7  o 133.6844 42.48013 5.066350       3.003358  6.076100       6.617912  4.804447       3.370424  145.8204 59.97667 130.6133 45.12226 15.20708       75.05477 
1 1 1 36  14 8  o 138.4541 42.89618 5.500292       3.081960  2.339477       6.809988  6.314418       3.456152  127.4957 56.65887 146.7014 45.42145 -19.20573      72.61774 
1 1 1 36  14 9  o 253.4167 32.90792 16.97413       3.830283  0.000000       0.000000  16.97413       3.830283  ?        ?        253.4167 32.90792 0.000000       32.90792 
1 1 1 36  14 10 o 281.9453 29.31825 20.56666       3.831544  22.54162       5.963771  19.17846       4.999986  276.5638 47.55569 260.2269 42.29844 16.33691       63.64512 
1 1 1 36  14 11 o 135.6278 57.36864 4.872176       6.309835  0.000000       0.000000  4.872176       6.309835  ?        ?        135.6278 57.36864 0.000000       57.36864 
1 1 1 36  14 12 o 167.2619 43.37793 8.284294       3.441779  3.914983       5.476678  11.13627       4.424700  126.7518 53.52144 189.1425 49.24735 -62.39075      72.73132 
1 1 1 36  14 13 o 162.4796 44.59174 7.995520       3.511461  7.039239       5.699639  8.580535       4.457979  145.5194 57.08825 161.9321 51.78659 -16.41272      77.07735 
1 1 1 36  14 14 o 138.1829 49.21680 6.039710       4.030586  10.95719       5.713295  1.167360       5.687015  173.2165 58.77784 111.7872 50.55304 61.42929       77.52705 
1 1 1 36  14 15 o 93.43034 44.47926 -2.848989      5.371582  0.000000       0.000000  -2.848989      5.371582  ?        ?        93.43034 44.47926 0.000000       44.47926 
1 1 1 36  16 0  o 178.4863 34.57863 8.678865       2.798374  2.128716       6.618839  10.10455       3.087935  123.5541 55.31551 192.2868 35.44482 -68.73267      65.69734 
1 1 1 36  16 1  o 267.8228 23.57594 18.00661       2.939925  19.14685       6.788712  17.74341       3.261638  237.5907 60.56169 263.5661 26.67463 -25.97540      66.17593 
1 1 1 36  16 2  o 145.0696 39.75133 5.998731       2.793058  9.051724       6.396779  5.279569       3.104644  161.9355 61.25996 134.9960 43.22168 26.93948       74.97264 
1 1 1 36  16 3  o 144.5968 41.21963 6.016658       2.940231  0.6200953      6.160162  7.608769       3.345956  115.6025 52.41569 161.3856 43.21309 -45.78307      67.93214 
1 1 1 36  16 4  o 81.68419 36.49590 -0.3369054     2.865614  -5.882878      5.959013  1.331421       3.268330  92.35158 44.69655 97.82689 41.32890 -5.475311      60.87577 
1 1 1 36  16 5  o 111.7424 45.27312 2.721066       3.701908  -1.806778      6.513720  4.881254       4.499135  108.8685 50.94669 131.9234 51.00626 -23.05493      72.09164 
1 1 1 36  16 6  o 151.3837 41.56858 6.623600       3.050525  15.15755       7.279686  4.805842       3.359740  201.4023 66.31227 129.5296 45.03345 71.87268       80.15815 
1 1 1 36  16 7  f 94.17764 39.48957 1.280684       2.947872  -8.118312      6.624416  3.601513       3.291762  92.11849 45.14248 117.0865 44.02285 -24.96797      63.05438 
1 1 1 36  16 8  o 122.7894 45.80607 4.148821       3.550200  0.000000       0.000000  4.148821       3.550200  ?        ?        122.7894 45.80607 0.000000       45.80607 
1 1 1 36  16 9  o 180.8913 44.11142 9.692279       3.719777  0.000000       0.000000  9.692279       3.719777  ?        ?        180.8913 44.11142 0.000000       44.11142 
1 1 1 36  16 10 o 303.8689 36.10663 25.24736       5.060089  0.000000       0.000000  25.24736       5.060089  ?        ?        303.8689 36.10663 0.000000       36.10663 
1 1 1 36  16 11 o 171.1275 49.27293 9.318234       4.181352  0.000000       0.000000  9.318234       4.181352  ?        ?        171.1275 49.27293 0.000000       49.27293 
1 1 1 36  16 12 o 103.0047 42.18535 2.251712       3.256593  5.095125       5.403780  0.6300493      4.080918  131.2648 54.11733 98.36430 43.77909 32.90047       69.60815 
1 1 1 36  16 13 o 113.8863 46.13146 3.328021       3.842689  4.542212       5.330718  2.014566       5.544340  126.5520 53.08584 113.9167 50.84040 12.63525       73.50410 
1 1 1 36  18 0  f 326.2549 20.34770 26.41447       3.107217  28.92985       7.311892  25.86012       3.432574  300.1249 53.76619 320.5824 22.91303 -20.45746      58.44493 
1 1 1 36  18 1  o 158.9445 37.27591 7.159348       2.738784  -1.961058      6.261861  9.316766       3.045534  104.4252 49.20688 182.4076 36.76368 -77.98239      61.42382 
1 1 1 36  18 2  o 332.3506 21.82964 27.57164       3.393834  25.12485       7.576230  28.18588       3.796003  269.3604 61.18602 333.7240 24.34877 -64.36359      65.85281 
1 1 1 36  18 3  o 160.5771 38.09787 7.334249       2.834392  1.978894       6.046507  8.842452       3.208783  118.6224 53.00562 175.4416 39.79564 -56.81918      66.28189 
1 1 1 36  18 4  o 175.2478 37.26351 8.627767       2.977327  12.35731       6.320858  7.564344       3.375210  182.8404 61.82524 158.8520 43.76839 23.98846       75.74980 
1 1 1 36  18 5  o 157.2448 41.54527 7.265317       3.119100  11.62901       6.551434  5.986310       3.546873  175.7184 62.73040 140.1088 46.29467 35.60960       77.96346 
1 1 1 36  18 6  o 153.4497 42.68554 7.010929       3.193449  2.602259       6.176374  8.619550       3.730840  121.8073 54.05296 167.7570 45.93199 -45.94969      70.93285 
1 1 1 36  18 7  o 160.3221 44.75425 7.820192       3.504030  0.000000       0.000000  7.820192       3.504030  ?        ?        160.3221 44.75425 0.000000       44.75425 
1 1 1 36  18 8  o 320.7902 34.77848 28.04727       5.164034  0.000000       0.000000  28.04727       5.164034  ?        ?        320.7902 34.77848 0.000000       34.77848 
1 1 1 36  18 9  o 181.3107 43.49590 9.881099       3.662144  0.000000       0.000000  9.881099       3.662144  ?        ?        181.3107 43.49590 0.000000       43.49590 
1 1 1 36  18 10 o 196.1501 40.12991 11.19250       3.577962  0.000000       0.000000  11.19250       3.577962  ?        ?        196.1501 40.12991 0.000000       40.12991 
1 1 1 36  20 0  o 292.9355 22.63428 21.75188       3.094751  14.87812       7.135447  23.34448       3.434605  186.7618 65.58913 301.7827 24.40316 -115.0209      69.98177 
1 1 1 36  20 1  o 229.5363 28.25113 13.90229       2.986012  3.799049       6.858264  16.26547       3.316897  125.7642 56.30589 247.7403 29.01139 -121.9761      63.34046 
1 1 1 36  20 2  o 118.0905 40.07613 4.053713       2.656021  8.858502       6.285562  3.009302       2.930506  152.4682 59.90718 107.1606 41.23968 45.30762       72.72951 
1 1 1 36  20 3  o 103.2948 39.66668 2.711895       2.707433  6.581451       6.156180  1.783988       3.014622  139.0296 57.57904 96.76927 40.20241 42.26031       70.22521 
1 1 1 36  20 4  o 123.2656 40.32959 4.473200       2.694177  6.093936       5.699465  4.006832       3.057328  136.1405 55.78806 117.7381 42.74759 18.40233       70.28274 
1 1 1 36  20 5  o 199.8313 38.82292 11.51523       3.517887  10.10999       6.042137  12.23588       4.326899  162.2679 59.91033 197.1830 47.26381 -34.91508      76.30934 
1 1 1 36  20 6  o 140.5195 50.06319 6.501945       4.170689  0.000000       0.000000  6.501945       4.170689  ?        ?        140.5195 50.06319 0.000000       50.06319 
1 1 1 37  1  0  o 166.5099 47.20125 8.241715       3.866655  11.80086       5.494490  4.749696       5.442433  190.8379 56.90854 135.1731 54.84925 55.66478       79.03811 
1 1 1 37  1  1  o 97.25517 41.99180 0.7952182      3.508275  7.179202       5.218667  -4.468845      4.738864  152.8425 55.79512 85.88546 41.12939 66.95708       69.31611 
1 1 1 37  1  2  o 310.1688 29.39846 24.62705       4.238135  17.99168       5.841028  32.00415       6.158851  244.3093 52.39708 344.1576 38.71494 -99.84833      65.14829 
1 1 1 37  1  3  o 227.8142 36.16123 13.89029       3.745725  11.37931       6.409822  15.19244       4.615888  183.7925 62.25826 232.1393 43.87821 -48.34685      76.16685 
1 1 1 37  1  4  o 102.7460 43.14283 1.495265       3.526561  1.706037       4.427132  1.129310       5.833516  111.5662 47.65194 118.3998 52.53651 -6.833611      70.92808 
1 1 1 37  1  5  f 76.94431 36.44892 -3.095254      3.520612  -0.6292790     4.382367  -7.583235      5.912074  98.23145 44.40412 89.07674 43.43402 9.154701       62.11473 
1 1 1 37  1  6  o 75.85888 36.75814 -5.274732      4.058949  -5.698574      6.192148  -4.955410      5.374697  96.59437 46.45437 91.25142 43.72618 5.342949       63.79646 
1 1 1 37  1  7  o 167.7327 47.08027 8.235962       3.866645  7.369205       7.025852  8.612545       4.631061  156.2861 62.70247 167.9265 52.67457 -11.64046      81.89145 
1 1 1 37  1  8  o 400.8335 22.40623 39.62368       4.207847  44.17073       6.063353  35.39927       5.844280  414.3267 31.34188 367.7801 34.17176 46.54660       46.36834 
1 1 1 37  1  9  o 123.3136 44.45741 4.031703       3.298355  3.787867       4.701286  4.268070       4.628718  126.9196 51.16034 130.0932 51.31522 -3.173553      72.46125 
1 1 1 37  1  10 o 192.9308 37.73805 10.15190       3.302234  6.599392       4.626622  13.84104       4.714755  148.6388 52.75285 218.0034 47.33254 -69.36456      70.87476 
1 1 1 37  1  11 o 96.87434 40.26301 1.398238       3.025538  4.145630       4.226140  -1.490367      4.333389  126.9452 49.33604 93.07262 42.85863 33.87260       65.35218 
1 1 1 37  1  12 o 192.2784 51.58569 11.40248       4.762600  5.517242       6.842728  16.93222       6.632843  143.0495 60.08278 224.6883 61.12952 -81.63884      85.71324 
1 1 1 37  1  13 o 87.17045 38.49657 0.4410177E-01  3.096254  -0.6790072     4.423237  0.7388428      4.335606  97.04427 44.16048 103.6065 45.66484 -6.562187      63.52500 
1 1 1 37  1  14 o 97.18977 41.84905 1.019890       3.465272  -3.882283      5.655021  3.967433       4.385003  95.26819 45.43222 124.2336 49.64434 -28.96541      67.29523 
1 1 1 37  1  15 o 77.64022 37.35458 -4.148015      4.014336  -3.139120      5.440499  -5.353746      5.947588  95.19515 45.15720 92.79413 44.84619 2.401024       63.64239 
1 1 1 37  1  16 o 254.2375 41.07858 18.53220       4.745231  24.89299       6.694860  12.11058       6.726793  279.9236 52.77881 177.2288 63.53306 102.6948       82.59572 
1 1 1 37  1  17 o 233.4242 44.40217 16.33753       4.697343  13.41260       6.558980  19.41736       6.730430  184.9630 62.97689 231.5622 60.95485 -46.59912      87.64464 
1 1 1 37  1  18 o 179.3554 53.33123 11.18389       4.830559  7.508919       6.407541  16.02259       7.352397  142.8058 58.90887 192.7250 66.64063 -49.91916      88.94508 
1 1 1 37  1  19 o 127.3936 55.28064 5.139715       6.141433  5.139715       6.141433  0.000000       0.000000  127.3936 55.28064 ?        ?        0.000000       55.28064 
1 1 1 37  3  0  o 271.1952 32.85221 19.31787       4.105480  15.45446       5.698124  23.48842       5.920298  222.0030 54.87651 286.7534 45.40218 -64.75049      71.22352 
1 1 1 37  3  1  o 136.6955 46.74165 5.346053       3.613266  3.802928       5.308379  6.678216       4.932193  129.0314 53.45528 148.7975 54.25372 -19.76616      76.16385 
1 1 1 37  3  2  o 73.36358 35.28794 -4.150081      3.576714  -4.230083      5.617392  -4.095531      4.638493  95.40108 45.43622 86.18560 41.11354 9.215485       61.27621 
1 1 1 37  3  3  o 178.0411 46.81843 9.285441       3.973271  18.33234       6.460823  3.782825       5.038746  240.9589 57.75280 128.3143 52.50335 112.6446       78.05119 
1 1 1 37  3  4  o 129.6102 50.06158 4.338718       4.330655  7.755649       6.567871  1.710464       5.760236  157.9438 61.47064 120.6581 52.92316 37.28575       81.11412 
1 1 1 37  3  5  o 157.8545 50.94785 7.473893       4.307227  7.473893       4.307227  0.000000       0.000000  157.8545 50.94785 ?        ?        0.000000       50.94785 
1 1 1 37  3  6  o 140.7704 46.99530 5.667552       3.651727  6.096909       6.740469  5.489180       4.344542  148.3921 60.72286 139.4221 50.90641 8.969955       79.23843 
1 1 1 37  3  7  o 114.0403 45.84164 2.729619       3.763253  0.4785970      6.715981  3.759895       4.543561  121.2459 54.87381 126.1744 50.49348 -4.928436      74.57028 
1 1 1 37  3  8  o 109.1567 44.94144 2.148523       3.720375  -4.488704      6.402612  5.531931       4.571313  101.6772 48.44812 139.9633 52.02401 -38.28606      71.08951 
1 1 1 37  3  9  o 122.5059 43.75827 3.992118       3.188292  3.600065       4.498999  4.387651       4.518918  124.5037 50.09641 130.4607 50.92918 -5.957047      71.43830 
1 1 1 37  3  10 o 99.90888 41.47245 1.548998       3.204309  0.4531596E-01  4.431097  3.197248       4.639217  101.6873 45.41159 122.0945 50.21695 -20.40718      67.70491 
1 1 1 37  3  11 o 306.4047 25.25603 23.58305       3.607805  31.75134       5.160983  15.77656       5.045394  349.6195 31.72653 232.0489 47.81242 117.5706       57.38118 
1 1 1 37  3  12 o 215.1035 35.00230 12.42097       3.419927  11.63482       4.904125  13.16520       4.771611  193.0953 52.57529 209.2925 49.28174 -16.19719      72.06144 
1 1 1 37  3  13 o 173.7849 44.49351 8.868432       3.652905  4.063615       5.832043  11.97038       4.685967  130.9121 55.25179 197.3491 50.32205 -66.43698      74.73331 
1 1 1 37  3  14 o 103.2819 42.98150 1.893788       3.454239  6.299049       5.967494  -0.3259882     4.236047  143.3850 57.69509 96.40430 43.61021 46.98067       72.32271 
1 1 1 37  3  15 o 108.0015 45.62657 2.118308       3.983284  6.159335       5.564203  -2.129608      5.704860  140.6892 56.01827 100.5919 47.26596 40.09729       73.29473 
1 1 1 37  3  16 o 221.0977 44.79242 14.59589       4.498990  11.56956       6.305201  17.73484       6.421457  175.2712 61.64965 224.5556 59.74526 -49.28433      85.84973 
1 1 1 37  3  17 o 113.1821 47.43057 2.972087       4.248602  3.802022       5.943613  2.104935       6.075417  124.3322 54.16592 116.9393 52.62440 7.392853       75.52003 
1 1 1 37  3  18 o 318.7837 53.73832 33.82878       7.771830  33.82878       7.771830  0.000000       0.000000  318.7837 53.73832 ?        ?        0.000000       53.73832 
1 1 1 37  3  19 o 129.1315 55.73412 5.564804       6.175588  5.564804       6.175588  0.000000       0.000000  129.1315 55.73412 ?        ?        0.000000       55.73412 
1 1 1 37  5  0  o 116.5012 45.48697 3.257395       3.605192  1.649155       5.469053  4.493296       4.794337  117.2805 51.50181 131.1171 52.06429 -13.83662      73.23337 
1 1 1 37  5  1  o 147.4713 48.88948 6.452480       3.954415  11.42985       6.521617  3.558424       4.972892  182.1299 62.77498 125.8024 51.89595 56.32751       81.44868 
1 1 1 37  5  2  o 196.5784 45.80260 11.20754       4.156859  18.35612       6.914806  7.162230       5.201707  235.4133 61.69552 152.8314 55.71756 82.58189       83.13113 
1 1 1 37  5  3  o 215.8654 42.04836 13.03070       4.116219  11.59929       6.534451  13.97234       5.299929  184.4839 62.85880 213.7060 52.98396 -29.22206      82.21027 
1 1 1 37  5  4  o 139.7661 44.47652 5.563579       3.291375  8.100476       6.298412  4.610541       3.860420  159.9325 60.71843 130.3496 47.92668 29.58287       77.35434 
1 1 1 37  5  5  o 80.86179 36.36143 -0.6496067     2.894149  -1.940015      4.133535  0.5913321      4.053528  89.28630 41.37670 101.5467 44.47173 -12.26042      60.74345 
1 1 1 37  5  6  o 214.4469 33.01900 12.08800       3.223961  20.11799       4.787131  5.423051       4.361301  272.9913 38.33500 138.6645 50.94753 134.3268       63.75910 
1 1 1 37  5  7  o 326.4531 23.69209 26.48157       3.613476  25.06280       5.141528  27.86630       5.079491  306.9027 36.31844 326.4465 33.55562 -19.54382      49.44703 
1 1 1 37  5  8  o 130.9888 47.67342 4.699069       3.805827  -2.014863      6.803654  7.756626       4.591356  112.3176 52.39814 159.3600 52.67263 -47.04244      74.29651 
1 1 1 37  5  9  o 395.5765 25.77645 39.25425       4.770278  35.64210       8.536702  40.89426       5.752141  342.5867 54.82096 398.4142 30.93456 -55.82751      62.94668 
1 1 1 37  5  10 o 160.1785 41.05197 7.259643       3.107425  7.137878       4.386235  7.382337       4.402939  153.3222 51.50363 155.6024 51.58776 -2.280243      72.89664 
1 1 1 37  5  11 o 208.5772 35.47205 11.71273       3.355736  15.48602       4.905971  8.395102       4.600227  230.3293 46.87436 164.0015 52.62298 66.32780       70.47257 
1 1 1 37  5  12 o 184.6467 42.37653 9.767433       3.602765  12.49703       6.130509  8.327381       4.452833  190.7468 60.70030 163.2508 51.70905 27.49600       79.73928 
1 1 1 37  5  13 o 135.3484 46.12844 5.367125       3.518970  3.790131       5.946621  6.216945       4.365346  129.3289 55.23275 142.8511 51.18361 -13.52222      75.30219 
1 1 1 37  5  14 o 73.88804 35.27914 -3.270930      3.431614  -0.6272295     5.746164  -4.736495      4.278331  106.9038 49.27394 78.79938 38.07098 28.10443       62.26814 
1 1 1 37  5  15 f 186.3652 44.30377 10.36702       3.826950  26.59632       7.241364  4.077645       4.507901  286.0258 55.82402 123.8103 50.03025 162.2155       74.96230 
1 1 1 37  5  16 o 137.7063 50.98365 6.038811       4.381760  5.014864       6.209938  7.054103       6.183635  132.3800 56.48671 143.8507 58.43159 -11.47072      81.27115 
1 1 1 37  5  17 o 352.3075 51.50026 39.83353       8.282892  39.83353       8.282892  0.000000       0.000000  352.3075 51.50026 ?        ?        0.000000       51.50026 
1 1 1 37  5  18 o 89.35366 43.55539 -5.392390      5.931927  -5.392390      5.931927  0.000000       0.000000  89.35366 43.55539 ?        ?        0.000000       43.55539 
1 1 1 37  5  19 f 151.1476 60.00264 9.690845       6.366287  9.690845       6.366287  0.000000       0.000000  151.1476 60.00264 ?        ?        0.000000       60.00264 
1 1 1 37  7  0  o 164.0232 46.77261 8.015919       3.785156  5.249703       6.262627  9.608036       4.751174  139.8842 58.01544 174.5576 53.11601 -34.67345      78.65813 
1 1 1 37  7  1  o 218.8186 40.51748 13.31786       4.016980  14.83056       6.486351  12.37675       5.116152  208.9780 61.71703 198.9921 53.49963 9.985947       81.67742 
1 1 1 37  7  2  o 303.9271 32.09963 24.07511       4.519785  41.29013       7.804429  15.38759       5.544152  383.2833 44.08965 223.4522 53.46148 159.8312       69.29666 
1 1 1 37  7  3  o 236.0871 31.35809 14.51344       3.396339  10.34483       6.063767  16.41901       4.099767  176.1107 60.54097 247.4560 36.29930 -71.34535      70.58929 
1 1 1 37  7  4  o 122.8537 43.68492 4.045634       3.174197  4.729489       6.390956  3.821699       3.657164  138.8523 58.17951 122.2857 46.30564 16.56655       74.35770 
1 1 1 37  7  5  o 122.0716 44.18303 3.941299       3.262422  5.680737       6.970282  3.453349       3.691762  145.7510 60.88945 119.2485 46.17627 26.50257       76.41840 
1 1 1 37  7  6  o 476.9182 19.60102 55.43328       4.397358  52.14349       6.429132  58.32523       6.027853  450.7381 30.50160 481.4485 26.72102 -30.71039      40.55071 
1 1 1 37  7  7  o 101.4686 40.23949 2.078023       2.860463  -2.838419      4.057021  6.938087       4.033692  84.37780 39.71397 152.5846 49.30948 -68.20679      63.31369 
1 1 1 37  7  8  o 101.8905 40.83578 2.029382       2.976541  4.186932       4.349226  0.1284755      4.082365  127.8376 49.94759 98.78695 43.88604 29.05067       66.48869 
1 1 1 37  7  9  o 130.5461 46.42708 4.755875       3.585326  2.152497       6.639981  5.827286       4.259673  126.5753 56.11277 141.1951 50.56348 -14.61980      75.53349 
1 1 1 37  7  10 o 178.9822 45.01591 9.353860       3.786440  10.03865       6.957244  9.065660       4.513433  169.8600 63.97391 170.8898 51.71885 -1.029785      82.26482 
1 1 1 37  7  11 o 145.0527 45.76481 6.203182       3.490564  -2.376338      5.419236  12.28632       4.563210  99.01173 46.37722 202.1982 48.58173 -103.1864      67.16421 
1 1 1 37  7  12 o 92.38004 40.30269 0.5209882      3.300941  5.053508       5.256149  -2.430877      4.241759  134.8728 54.19047 87.19229 40.90142 47.68047       67.89354 
1 1 1 37  7  13 o 109.9025 43.15075 2.871553       3.258846  2.755648       5.158411  2.948537       4.204046  119.4180 51.23236 115.6530 47.71329 3.764999       70.00938 
1 1 1 37  7  14 o 82.26347 37.67328 -1.011948      3.285865  0.6747920      5.258885  -2.092180      4.208506  108.4823 48.87624 87.39864 40.91594 21.08366       63.74167 
1 1 1 37  7  15 f 202.1965 40.55408 11.80262       3.723037  16.86088       5.999805  8.635356       4.747647  222.4231 57.06371 160.0599 53.58440 62.36317       78.27870 
1 1 1 37  7  16 o 103.0519 45.21986 1.378061       4.209330  2.183115       5.703876  0.4152795      6.237655  115.6715 51.59924 110.9970 51.22260 4.674438       72.70650 
1 1 1 37  7  17 o 367.0050 47.07401 41.79549       7.939532  41.79549       7.939532  0.000000       0.000000  367.0050 47.07401 ?        ?        0.000000       47.07401 
1 1 1 37  7  18 o 116.6971 52.10321 3.046968       5.829774  3.046968       5.829774  0.000000       0.000000  116.6971 52.10321 ?        ?        0.000000       52.10321 
1 1 1 37  7  19 o 103.6003 48.08077 0.5951249      5.611654  0.5951249      5.611654  0.000000       0.000000  103.6003 48.08077 ?        ?        0.000000       48.08077 
1 1 1 37  9  0  o 195.8590 43.46398 11.05686       3.899837  5.344828       6.258535  14.68252       4.986214  139.7793 57.98623 220.9773 49.22909 -81.19809      76.06514 
1 1 1 37  9  1  o 286.5589 27.16736 20.89977       3.618348  16.99168       7.065901  22.28886       4.212602  220.2190 64.23924 292.6763 31.07333 -72.45726      71.35988 
1 1 1 37  9  2  o 390.8817 27.36297 38.76191       4.999541  35.01784       8.376415  40.83379       6.231154  338.1606 54.51149 393.6463 33.98378 -55.48569      64.23706 
1 1 1 37  9  3  o 201.7301 36.22414 11.01254       3.311130  14.58978       6.538023  9.778530       3.839997  206.6645 62.18011 183.4727 44.86609 23.19180       76.67680 
1 1 1 37  9  4  o 267.9235 28.59003 18.38388       3.547606  17.37218       7.220233  18.70585       4.073183  223.3572 64.87461 266.6418 33.19256 -43.28452      72.87291 
1 1 1 37  9  5  o 186.2537 39.45359 9.632951       3.349154  1.267241       6.672420  12.45050       3.872291  122.9734 55.26248 211.7222 40.35372 -88.74881      68.42780 
1 1 1 37  9  6  o 53.27608 26.86884 -9.312068      3.161189  -7.431630      6.285826  -9.948667      3.657344  92.12136 44.88942 58.54576 29.44624 33.57560       53.68557 
1 1 1 37  9  7  o 181.5350 42.41398 9.389296       3.556622  -2.751784      6.577981  14.40490       4.227910  107.4738 50.57990 227.3493 41.04359 -119.8755      65.13756 
1 1 1 37  9  8  o 107.7783 41.11711 2.746844       2.897103  3.191745       4.091988  2.299703       4.102275  118.4448 47.73505 112.0467 46.75227 6.398109       66.81624 
1 1 1 37  9  9  o 91.37226 38.59459 0.9890076      2.849291  -4.071282      4.091675  5.753022       3.970087  79.62363 38.15367 139.7949 48.93349 -60.17126      62.04989 
1 1 1 37  9  10 o 156.9425 49.83712 7.575713       4.134258  0.000000       0.000000  7.575713       4.134258  ?        ?        156.9425 49.83712 0.000000       49.83712 
1 1 1 37  9  11 o 111.8288 46.87888 2.369436       4.152573  0.000000       0.000000  2.369436       4.152573  ?        ?        111.8288 46.87888 0.000000       46.87888 
1 1 1 37  9  12 o 124.9674 44.23429 4.429946       3.250980  3.210464       5.272466  5.177974       4.129383  122.4549 52.14510 132.9009 49.43622 -10.44604      71.85437 
1 1 1 37  9  13 o 95.30426 40.62909 1.191640       3.207348  -1.040131      5.359738  2.436692       4.003249  101.8735 47.17664 110.1839 46.09756 -8.310387      65.95924 
1 1 1 37  9  14 o 157.8957 43.38899 7.503366       3.322114  6.994649       5.227973  7.847908       4.302464  145.0313 55.25680 155.1560 50.97446 -10.12469      75.17785 
1 1 1 37  9  15 o 307.4629 35.66142 26.12948       5.061977  29.81570       7.067811  22.24733       7.253224  307.3457 50.65124 246.6543 62.45137 60.69136       80.40971 
1 1 1 37  9  16 o 87.97860 40.73745 -1.061425      3.994825  -4.390607      5.576073  2.449168       5.725980  89.95577 43.46157 115.7935 51.67309 -25.83775      67.52049 
1 1 1 37  9  17 o 119.5863 48.83103 4.194277       4.347255  6.114745       6.008197  2.084126       6.297925  133.1322 56.12851 114.8197 52.42118 18.31251       76.80097 
1 1 1 37  9  18 o 165.4397 60.49631 11.67658       6.138877  11.67658       6.138877  0.000000       0.000000  165.4397 60.49631 ?        ?        0.000000       60.49631 
1 1 1 37  11 0  o 223.1524 30.74070 13.07018       3.141241  10.60642       6.575433  13.79872       3.575646  172.1067 62.65957 226.3100 34.69430 -54.20329      71.62344 
1 1 1 37  11 1  o 77.27545 35.42481 -1.176568      2.915478  -4.313318      5.995791  -0.2052421     3.336483  97.13732 46.45008 88.23181 39.40380 8.905510       60.91198 
1 1 1 37  11 2  o 156.6816 40.88008 7.015494       3.044763  18.83472       6.664248  3.897506       3.422897  238.5062 59.57455 120.9577 45.00597 117.5485       74.66368 
1 1 1 37  11 3  o 141.2494 43.28999 5.775969       3.148506  -0.8186683E-01 6.603471  7.499463       3.581861  116.1860 53.28122 159.1354 45.54098 -42.94936      70.09186 
1 1 1 37  11 4  o 360.7280 23.93606 32.51917       4.038576  45.33294       8.421024  28.69169       4.602382  397.1737 45.91949 333.5953 29.63741 63.57843       54.65323 
1 1 1 37  11 5  o 205.0031 35.50286 11.35644       3.299678  14.29845       6.979510  10.50960       3.744580  199.3600 64.89648 191.6508 42.63622 7.709122       77.64922 
1 1 1 37  11 6  o 200.5664 39.29739 11.19092       3.574984  -3.439358      7.212409  15.95623       4.116225  109.1386 51.83626 242.0233 37.35801 -132.8846      63.89537 
1 1 1 37  11 7  o 237.1974 32.42484 14.85278       3.523152  12.29489       7.429539  15.59485       4.001707  181.8228 66.54269 239.6748 36.65919 -57.85201      75.97253 
1 1 1 37  11 8  f 182.8494 43.07563 9.675314       3.644106  7.547563       7.545544  10.32255       4.161605  153.0082 63.58814 185.2065 47.53003 -32.19821      79.38863 
1 1 1 37  11 9  o 100.4892 43.57444 1.035517       3.810321  -3.653389      4.933584  7.966707       5.998333  89.56303 42.63517 155.0068 59.15681 -65.44380      72.91972 
1 1 1 37  11 10 o 157.5594 44.24999 7.375124       3.414711  1.705410       5.565339  10.79826       4.324376  116.2280 51.45617 187.5846 48.61015 -71.35657      70.78619 
1 1 1 37  11 11 o 173.9441 49.96618 9.542109       4.304402  0.000000       0.000000  9.542109       4.304402  ?        ?        173.9441 49.96618 0.000000       49.96618 
1 1 1 37  11 12 o 83.34304 39.31334 -2.541767      4.016057  0.000000       0.000000  -2.541767      4.016057  ?        ?        83.34304 39.31334 0.000000       39.31334 
1 1 1 37  11 13 o 145.3526 43.79147 6.410359       3.241224  3.020214       5.327041  8.403175       4.084233  119.3539 51.63832 161.7420 49.25389 -42.38811      71.36149 
1 1 1 37  11 14 o 125.3110 48.50748 4.659386       4.072868  1.108205       5.609836  8.617718       5.922701  110.3885 50.03846 153.1080 58.69889 -42.71941      77.13240 
1 1 1 37  11 15 o 95.68645 42.64867 0.6488032      3.887961  -2.266350      5.544454  3.469085       5.453488  96.14017 45.59996 119.7219 52.02216 -23.58172      69.17847 
1 1 1 37  11 16 o 208.1603 45.44273 13.59088       4.324868  16.09988       6.551248  11.65279       5.757851  199.3672 62.66872 172.1131 59.00364 27.25406       86.07437 
1 1 1 37  13 0  o 100.9953 38.99075 2.372889       2.626081  -4.292509      5.600734  4.251230       2.973166  92.89935 44.54763 122.5068 42.37643 -29.60748      61.48376 
1 1 1 37  13 1  o 135.3515 41.42114 5.307752       2.883746  3.448276       6.332303  5.794297       3.239125  127.9843 55.82870 139.9117 44.07960 -11.92732      71.13266 
1 1 1 37  13 2  o 258.4764 27.74752 17.20073       3.320971  20.38347       7.801431  16.49635       3.670107  234.1687 67.26826 249.6674 31.98521 -15.49878      74.48539 
1 1 1 37  13 3  o 161.7514 40.86634 7.527536       3.110573  18.08264       7.324128  5.204721       3.435832  222.3570 65.55721 133.3842 45.57969 88.97278       79.84520 
1 1 1 37  13 4  o 96.03357 40.23664 1.386872       3.056605  -3.629608      6.519284  2.800341       3.460537  102.7713 48.94684 110.6425 44.13870 -7.871162      65.90916 
1 1 1 37  13 5  o 109.5552 42.42112 2.896353       3.115640  20.39834       7.253060  -1.063945      3.450179  241.7766 63.10125 84.44014 38.64572 157.3365       73.99500 
1 1 1 37  13 6  o 86.46230 38.04114 0.1778353      2.996387  4.949465       6.519501  -1.100034      3.373837  136.6519 58.08274 83.30103 38.15792 53.35086       69.49555 
1 1 1 37  13 7  o 197.9368 35.03382 10.66594       3.142625  12.33353       7.017784  10.24765       3.514732  181.0533 64.89389 189.5634 40.63663 -8.510056      76.56731 
1 1 1 37  13 8  f 103.3903 42.65563 2.044860       3.360153  0.000000       0.000000  2.044860       3.360153  ?        ?        103.3903 42.65563 0.000000       42.65563 
1 1 1 37  13 9  o 182.5404 50.21651 10.53434       4.447024  0.000000       0.000000  10.53434       4.447024  ?        ?        182.5404 50.21651 0.000000       50.21651 
1 1 1 37  13 10 o 144.6307 44.93507 6.345393       3.379233  6.566588       5.344213  6.198038       4.361930  142.6382 55.46730 140.4094 51.04752 2.228836       75.38216 
1 1 1 37  13 11 o 125.5466 44.86760 4.627306       3.352407  9.227112       5.372950  1.695049       4.289868  161.9072 56.91206 106.3876 46.18368 55.51960       73.29334 
1 1 1 37  13 12 o 88.87207 41.01240 -1.050946      3.998775  0.000000       0.000000  -1.050946      3.998775  ?        ?        88.87207 41.01240 0.000000       41.01240 
1 1 1 37  13 13 o 86.13029 42.02931 -5.918550      5.565782  0.000000       0.000000  -5.918550      5.565782  ?        ?        86.13029 42.02931 0.000000       42.02931 
1 1 1 37  13 15 o 74.12112 35.78633 -3.735680      3.764788  -7.164091      5.236563  -0.6771701E-01 5.416420  79.07603 39.01991 101.7576 47.22961 -22.68153      61.26328 
1 1 1 37  15 0  o 203.7025 30.76581 11.06922       2.856182  1.923008       7.001887  12.89489       3.128281  121.6284 55.43014 219.7827 31.12852 -98.15422      63.57268 
1 1 1 37  15 1  o 102.1890 39.42889 2.511611       2.684233  -4.158740      6.372080  3.950624       2.959643  98.49724 47.30725 118.3837 42.17338 -19.88647      63.37642 
1 1 1 37  15 2  o 184.5455 36.81210 9.522614       3.083637  20.87099       7.363752  7.109394       3.395711  238.8744 64.16831 153.1738 44.49038 85.70064       78.08307 
1 1 1 37  15 3  o 76.25795 34.95276 -1.042794      2.836732  12.74376       7.060260  -3.696872      3.097774  180.6008 65.05205 67.43577 32.53468 113.1650       72.73428 
1 1 1 37  15 4  o 113.9769 41.63457 3.521443       2.906548  0.9800833      6.441211  4.171222       3.256997  116.4494 53.10653 121.4571 44.11780 -5.007698      69.04118 
1 1 1 37  15 5  o 159.7530 40.67606 7.434094       3.064828  16.51308       6.970024  5.257910       3.412427  209.5915 64.43893 132.6642 45.42374 76.92728       78.83966 
1 1 1 37  15 6  o 70.07448 33.62833 -3.386820      3.205203  0.000000       0.000000  -3.386820      3.205203  ?        ?        70.07448 33.62833 0.000000       33.62833 
1 1 1 37  15 7  o 103.0867 43.74671 1.796015       3.688284  0.000000       0.000000  1.796015       3.688284  ?        ?        103.0867 43.74671 0.000000       43.74671 
1 1 1 37  15 8  o 135.3051 46.75888 5.614909       3.619503  0.000000       0.000000  5.614909       3.619503  ?        ?        135.3051 46.75888 0.000000       46.75888 
1 1 1 37  15 9  o 89.48000 40.11123 0.5226256E-02  3.492067  0.000000       0.000000  0.5226256E-02  3.492067  ?        ?        89.48000 40.11123 0.000000       40.11123 
1 1 1 37  15 10 o 222.5507 37.43290 13.98510       3.779682  0.000000       0.000000  13.98510       3.779682  ?        ?        222.5507 37.43290 0.000000       37.43290 
1 1 1 37  15 11 o 83.93669 37.85512 -0.2466677     3.163815  -1.703627      4.937373  0.7683548      4.121071  93.84311 44.05536 98.52402 43.91137 -4.680908      62.20195 
1 1 1 37  15 12 o 135.1444 48.81360 5.961450       3.979101  9.705709       5.534802  1.956005       5.724593  160.1587 57.60690 113.1166 50.97653 47.04209       76.92309 
1 1 1 37  15 13 o 138.2012 56.08579 6.926279       5.691448  0.000000       0.000000  6.926279       5.691448  ?        ?        138.2012 56.08579 0.000000       56.08579 
1 1 1 37  17 0  o 203.5174 41.38131 12.27583       3.826692  15.07135       7.295084  11.21460       4.494720  187.5599 66.27607 183.9877 50.43172 3.572159       83.28191 
1 1 1 37  17 1  o 156.1720 41.89141 7.370799       3.141097  10.26754       6.399989  6.451610       3.605177  161.5205 61.23377 142.3574 46.65612 19.16310       76.98291 
1 1 1 37  17 2  o 102.8533 39.65817 2.654679       2.714104  -3.035078      5.821931  4.234594       3.067871  96.38647 46.00210 120.2608 42.92739 -23.87430      62.92022 
1 1 1 37  17 3  o 80.42878 36.15370 -0.2775102     2.858159  4.979192       6.179598  -1.708048      3.223689  130.8359 56.10119 77.02445 35.97842 53.81145       66.64675 
1 1 1 37  17 4  o 166.1265 40.18175 8.123825       3.105772  4.860286       6.076445  9.277878       3.613416  130.1001 55.70412 174.2775 44.05389 -44.17734      71.01897 
1 1 1 37  17 5  o 177.2646 44.27402 9.613760       3.680882  0.000000       0.000000  9.613760       3.680882  ?        ?        177.2646 44.27402 0.000000       44.27402 
1 1 1 37  17 6  o 134.6278 47.26024 5.706406       3.704483  0.000000       0.000000  5.706406       3.704483  ?        ?        134.6278 47.26024 0.000000       47.26024 
1 1 1 37  17 7  o 175.1740 43.86533 9.398324       3.606579  0.000000       0.000000  9.398324       3.606579  ?        ?        175.1740 43.86533 0.000000       43.86533 
1 1 1 37  17 8  o 128.5494 46.00158 5.123210       3.525114  0.000000       0.000000  5.123210       3.525114  ?        ?        128.5494 46.00158 0.000000       46.00158 
1 1 1 37  17 9  f 129.0833 46.02928 5.224731       3.526390  0.000000       0.000000  5.224731       3.526390  ?        ?        129.0833 46.02928 0.000000       46.02928 
1 1 1 37  17 10 o 184.0588 42.91969 10.38498       3.647696  0.000000       0.000000  10.38498       3.647696  ?        ?        184.0588 42.91969 0.000000       42.91969 
1 1 1 37  19 0  o 159.4824 36.17772 7.405268       2.651735  11.42985       6.008983  6.431975       2.955034  166.1137 59.98795 143.7629 41.43020 22.35075       72.90415 
1 1 1 37  19 1  o 63.21821 30.18082 -2.384274      2.509791  -6.319858      5.733481  -1.451383      2.791447  85.00719 41.72614 71.80763 33.52077 13.19955       53.52301 
1 1 1 37  19 2  o 60.94573 29.57773 -3.442972      2.654672  -3.686088      5.627359  -3.373382      3.010734  91.20303 43.96433 66.24230 31.98738 24.96072       54.36961 
1 1 1 37  19 3  o 121.1807 40.92174 4.437316       2.769153  1.174792       6.026900  5.310373       3.117729  110.0545 50.62872 130.1358 43.42321 -20.08131      66.69965 
1 1 1 37  19 4  o 180.7852 39.54678 9.707805       3.269554  0.000000       0.000000  9.707805       3.269554  ?        ?        180.7852 39.54678 0.000000       39.54678 
1 1 1 37  19 5  f 178.7209 42.15994 9.777411       3.487035  0.000000       0.000000  9.777411       3.487035  ?        ?        178.7209 42.15994 0.000000       42.15994 
1 1 1 38  0  0  o 251.9792 63.81928 18.55529       6.541134  18.55529       6.541134  18.55529       6.541134  251.9792 63.81928 251.9792 63.81928 0.000000       0.000000 
1 1 1 38  0  1  o 77.54676 52.12667 -1.587991      5.402530  -1.587991      5.402530  -1.587991      5.402530  77.54676 52.12667 77.54676 52.12667 0.000000       0.000000 
1 1 1 38  0  2  o 139.2814 72.54615 7.571344       6.196490  7.571344       6.196490  7.571344       6.196490  139.2814 72.54615 139.2814 72.54615 0.000000       0.000000 
1 1 1 38  0  3  o 120.0965 67.60143 5.329965       5.806159  5.329965       5.806159  5.329965       5.806159  120.0965 67.60143 120.0965 67.60143 0.000000       0.000000 
1 1 1 38  0  4  o 110.4473 58.82660 4.545078       4.144820  4.545078       4.144820  4.545078       4.144820  110.4473 58.82660 110.4473 58.82660 0.000000       0.000000 
1 1 1 38  0  5  o 95.39694 55.00155 3.055869       3.974296  3.055869       3.974296  3.055869       3.974296  95.39694 55.00155 95.39694 55.00155 0.000000       0.000000 
1 1 1 38  0  6  f 81.25500 51.08237 1.164772       4.091755  1.164772       4.091755  1.164772       4.091755  81.25500 51.08237 81.25500 51.08237 0.000000       0.000000 
1 1 1 38  0  7  o 59.41714 41.28752 -3.209397      4.068007  -3.209397      4.068007  -3.209397      4.068007  59.41714 41.28752 59.41714 41.28752 0.000000       0.000000 
1 1 1 38  0  8  o 96.57162 56.89526 3.021600       4.404904  3.021600       4.404904  3.021600       4.404904  96.57162 56.89526 96.57162 56.89526 0.000000       0.000000 
1 1 1 38  0  9  o 43.23780 31.67360 -10.24722      4.130325  -10.24722      4.130325  -10.24722      4.130325  43.23780 31.67360 43.23780 31.67360 0.000000       0.000000 
1 1 1 38  0  10 o 120.4840 62.56321 5.624396       4.597737  5.624396       4.597737  5.624396       4.597737  120.4840 62.56321 120.4840 62.56321 0.000000       0.000000 
1 1 1 38  0  11 o 57.89550 40.58223 -3.881338      4.177053  -3.881338      4.177053  -3.881338      4.177053  57.89550 40.58223 57.89550 40.58223 0.000000       0.000000 
1 1 1 38  0  12 o 117.8283 67.71413 5.338882       5.993266  5.338882       5.993266  5.338882       5.993266  117.8283 67.71413 117.8283 67.71413 0.000000       0.000000 
1 1 1 38  0  13 o 102.0829 63.91095 2.798455       6.332394  2.798455       6.332394  2.798455       6.332394  102.0829 63.91095 102.0829 63.91095 0.000000       0.000000 
1 1 1 38  0  14 o 80.24499 53.85908 -1.012782      5.726244  -1.012782      5.726244  -1.012782      5.726244  80.24499 53.85908 80.24499 53.85908 0.000000       0.000000 
1 1 1 38  0  16 o 88.69316 58.50224 0.4854341      6.277321  0.4854341      6.277321  0.4854341      6.277321  88.69316 58.50224 88.69316 58.50224 0.000000       0.000000 
1 1 1 38  0  17 o 442.3756 47.95741 52.52676       9.682437  52.52676       9.682437  52.52676       9.682437  442.3756 47.95741 442.3756 47.95741 0.000000       0.000000 
1 1 1 38  2  0  o 227.3338 41.64767 14.72990       4.289602  25.37753       6.573056  6.831154       5.661351  289.1638 50.14044 146.3855 57.04361 142.7783       75.94759 
1 1 1 38  2  1  o 308.4416 32.69872 25.16718       4.671958  26.08892       6.402108  24.11712       6.833239  297.4012 47.35022 277.0585 54.37234 20.34274       72.09989 
1 1 1 38  2  2  o 124.6962 48.40739 4.131248       4.065013  0.8549347      5.773823  7.351368       5.724094  114.1593 51.34420 151.1211 57.76125 -36.96184      77.28252 
1 1 1 38  2  3  o 115.5895 44.41157 3.353469       3.395018  -3.442331      5.875245  6.760225       4.159837  98.87881 46.91107 148.5826 50.15561 -49.70379      68.67484 
1 1 1 38  2  4  o 123.6856 41.52520 4.261878       2.851263  1.585342       3.887001  7.379688       4.195202  105.0663 44.75740 154.7417 50.31071 -49.67540      67.33790 
1 1 1 38  2  5  o 304.3884 24.06081 23.22000       3.417060  22.40394       4.818498  24.04557       4.846529  288.1181 36.36242 299.9315 35.00979 -11.81345      50.47683 
1 1 1 38  2  6  o 188.8610 35.74913 9.702902       3.059670  9.187086       4.412210  10.18072       4.246594  171.8725 50.93845 183.3378 48.49369 -11.46530      70.33038 
1 1 1 38  2  7  o 89.31757 38.59042 0.5742137      2.966943  0.6812089E-01  4.191567  1.082400       4.200229  98.62473 44.09659 104.4152 45.51030 -5.790504      63.36953 
1 1 1 38  2  8  o 152.0554 47.17775 6.959339       3.726390  3.317849       4.388313  16.37337       7.055794  120.0635 49.04752 213.6192 64.66802 -93.55569      81.16410 
1 1 1 38  2  9  o 274.0803 33.60329 19.98962       4.241651  26.41201       7.818717  17.31119       5.049247  281.9919 60.73709 243.4460 45.77170 38.54593       76.05289 
1 1 1 38  2  10 o 130.9446 43.07595 4.945904       3.072061  11.88385       4.492311  -1.148805      4.210472  197.3287 48.69407 92.21511 42.38315 105.1136       64.55574 
1 1 1 38  2  11 f 205.9245 40.16944 12.01525       3.751374  6.105827       5.820378  16.21451       4.906425  141.3507 56.94322 233.8321 46.24414 -92.48135      73.35564 
1 1 1 38  2  12 o 268.4886 31.36835 19.07523       3.887063  16.46552       6.374859  20.61974       4.904226  216.9094 60.29932 270.7813 39.67917 -53.87198      72.18341 
1 1 1 38  2  13 o 116.7818 47.73500 3.337769       4.159669  -2.714923      5.781477  9.833532       5.989349  98.50069 46.67430 164.4492 59.81255 -65.94849      75.86852 
1 1 1 38  2  14 o 188.6795 50.62807 11.54858       4.586994  20.58561       6.878219  4.310345       6.155725  240.1154 60.82631 128.3750 55.52551 111.7404       82.35850 
1 1 1 38  2  15 o 77.29449 37.29404 -4.065165      4.072391  -2.873068      5.732885  -5.279430      5.785944  96.04189 45.78536 89.57552 43.51678 6.466370       63.16652 
1 1 1 38  2  16 o 123.1174 49.58989 4.565157       4.413435  10.85910       6.308416  -1.468787      6.176745  163.4304 61.04168 102.3335 48.41814 61.09689       77.91279 
1 1 1 38  2  17 o 140.7429 57.37619 7.633770       5.989557  7.633770       5.989557  0.000000       0.000000  140.7429 57.37619 ?        ?        0.000000       57.37619 
1 1 1 38  2  18 o 154.4570 60.42007 10.56481       6.370008  10.56481       6.370008  0.000000       0.000000  154.4570 60.42007 ?        ?        0.000000       60.42007 
1 1 1 38  4  0  o 93.38290 42.07090 -0.2395079     3.895743  -1.996937      5.440844  1.609394       5.580642  99.44147 46.54381 115.5754 51.32934 -16.13393      69.28944 
1 1 1 38  4  1  o 103.2765 43.97364 1.572420       3.748763  2.950326       5.311642  0.2049346      5.291518  121.5076 52.05439 107.5519 48.68918 13.95570       71.27619 
1 1 1 38  4  2  o 142.8609 50.35693 6.213143       4.208985  3.938764       6.023746  8.382878       5.883537  130.2971 55.61658 158.0750 58.96818 -27.77789      81.05831 
1 1 1 38  4  3  o 97.86487 41.19878 1.385781       3.229297  4.818669       5.750833  -0.1952042     3.902697  134.7063 55.70861 94.22684 42.30996 40.47947       69.95414 
1 1 1 38  4  4  o 158.1088 45.33325 7.424737       3.546155  6.432818       6.461559  7.852259       4.242074  145.9101 59.55103 159.0404 50.48061 -13.13033      78.06803 
1 1 1 38  4  5  o 104.0270 40.95677 2.376875       2.943483  0.1235340      4.250942  4.452390       4.079761  99.39326 44.42633 127.7079 48.77562 -28.31467      65.97545 
1 1 1 38  4  6  o 381.8982 21.47600 36.06565       3.842411  42.92248       5.618440  30.04074       5.266588  408.1572 29.46100 336.7170 33.70285 71.44019       44.76419 
1 1 1 38  4  7  o 328.4333 23.25602 26.93381       3.569723  24.40683       5.059466  29.43871       5.037307  300.2818 36.57393 334.6012 32.41005 -34.31937      48.86781 
1 1 1 38  4  8  o 381.6106 21.91871 36.11463       3.918123  36.39422       5.574580  35.84167       5.508143  372.3474 32.14194 369.6741 31.99033 2.673279       45.34849 
1 1 1 38  4  9  o 231.6081 30.15301 14.02418       3.207248  17.38951       4.570700  10.75990       4.501558  249.0507 40.39856 186.0058 50.25728 63.04483       64.48129 
1 1 1 38  4  10 f 108.4533 43.27033 2.662097       3.326065  5.291320       5.684269  1.293213       4.101515  136.3588 55.77663 104.1023 45.17499 32.25650       71.77613 
1 1 1 38  4  11 f 138.8723 46.25991 5.805315       3.538923  7.309751       6.121161  5.049982       4.337268  148.6555 58.89210 131.5928 50.28375 17.06265       77.43859 
1 1 1 38  4  12 o 110.5304 43.93811 2.939176       3.418007  -1.889120      5.512968  5.954022       4.356333  99.62759 46.70102 138.4375 50.91029 -38.80994      69.08577 
1 1 1 38  4  13 o 131.3867 46.36475 5.216263       3.569052  8.724733       6.001450  3.296472       4.439401  155.7408 59.23547 117.3631 48.77452 38.37768       76.73196 
1 1 1 38  4  14 o 180.2850 50.17791 10.59104       4.411626  7.342450       6.131225  14.07848       6.352627  144.7153 58.39289 192.1354 61.85885 -47.42001      85.06613 
1 1 1 38  4  15 o 139.3920 51.23310 6.485445       4.410889  8.067777       6.124348  4.780024       6.358093  147.2474 58.72600 128.9552 56.10297 18.29214       81.21752 
1 1 1 38  4  16 o 118.7458 53.33711 3.029132       6.207510  3.029132       6.207510  0.000000       0.000000  118.7458 53.33711 ?        ?        0.000000       53.33711 
1 1 1 38  4  17 o 230.0844 65.18877 22.02140       7.377204  22.02140       7.377204  0.000000       0.000000  230.0844 65.18877 ?        ?        0.000000       65.18877 
1 1 1 38  4  18 o 146.6052 59.57836 9.500595       6.432550  9.500595       6.432550  0.000000       0.000000  146.6052 59.57836 ?        ?        0.000000       59.57836 
1 1 1 38  6  0  o 79.45594 37.47479 -2.547053      3.646980  2.926327       5.230420  -7.725922      5.087755  120.2350 51.58595 78.93155 38.85492 41.30348       64.58184 
1 1 1 38  6  1  o 113.8105 45.66115 3.044123       3.725834  1.992271       6.049407  3.686985       4.729273  120.0173 53.36524 123.0918 50.67334 -3.074524      73.59101 
1 1 1 38  6  2  o 104.3320 41.75235 2.334728       3.106609  -7.048158      5.799741  6.110033       3.678887  87.60915 42.78461 142.4733 47.15182 -54.86415      63.66959 
1 1 1 38  6  3  f 404.9872 22.81223 40.86697       4.328188  46.52200       8.276185  38.73809       5.077938  402.6386 44.43672 388.8873 27.94471 13.75137       52.49313 
1 1 1 38  6  4  o 232.3857 33.53894 14.42018       3.560177  16.96790       6.842553  13.47447       4.168905  219.5798 62.97590 217.1883 42.32650 2.391510       75.87817 
1 1 1 38  6  5  o 224.1930 35.07824 13.57149       3.578112  26.31391       7.384186  9.661448       4.090412  287.1483 56.67937 178.4530 47.77751 108.6952       74.12989 
1 1 1 38  6  6  o 220.2792 36.50943 13.24509       3.650613  11.02259       7.109090  14.04104       4.254389  173.2343 64.78079 221.8713 42.30721 -48.63701      77.37216 
1 1 1 38  6  7  o 156.4276 40.85174 7.033054       3.038701  13.80348       4.610634  1.833879       4.040358  215.5008 46.82111 107.4321 45.69527 108.0687       65.42381 
1 1 1 38  6  8  o 235.2520 29.68029 14.43069       3.211414  19.18386       4.727723  10.35863       4.375904  262.4884 39.51380 182.8267 49.61487 79.66176       63.42693 
1 1 1 38  6  9  o 86.02388 38.59703 -0.3197047     3.241198  -3.299644      5.148414  1.636781       4.171652  92.41049 43.86313 106.7002 45.93054 -14.28976      63.51054 
1 1 1 38  6  10 o 218.8113 37.38530 13.26297       3.709840  16.87574       6.136953  11.18247       4.657100  224.1825 57.81784 187.4991 51.30997 36.68340       77.30211 
1 1 1 38  6  11 o 201.5143 40.45435 11.62596       3.701528  17.20571       6.188138  8.517203       4.618983  225.0977 58.06070 160.9818 52.81272 64.11591       78.48712 
1 1 1 38  6  12 o 183.7962 45.05672 10.22622       3.865437  4.717598       6.441419  13.32629       4.832209  132.3212 57.01630 204.8040 50.48080 -72.48280      76.15228 
1 1 1 38  6  13 o 204.5696 40.84371 12.17282       3.792758  5.130797       6.274820  16.22668       4.760883  132.8140 56.72918 232.1012 45.23114 -99.28723      72.55382 
1 1 1 38  6  14 o 163.6331 46.18934 8.457305       3.710791  19.56005       6.209237  2.288792       4.628212  238.9119 56.19175 110.4704 47.96323 128.4415       73.87817 
1 1 1 38  6  15 o 303.9975 54.39321 31.03449       7.492715  31.03449       7.492715  0.000000       0.000000  303.9975 54.39321 ?        ?        0.000000       54.39321 
1 1 1 38  6  16 o 92.44595 44.55062 -3.558264      5.768141  -3.558264      5.768141  0.000000       0.000000  92.44595 44.55062 ?        ?        0.000000       44.55062 
1 1 1 38  6  17 o 84.02225 41.07990 -5.282403      5.392374  -5.282403      5.392374  0.000000       0.000000  84.02225 41.07990 ?        ?        0.000000       41.07990 
1 1 1 38  6  18 f 106.5431 49.27443 1.497919       5.818870  1.497919       5.818870  0.000000       0.000000  106.5431 49.27443 ?        ?        0.000000       49.27443 
1 1 1 38  8  0  o 99.73254 43.31343 1.118731       3.776479  4.771091       5.387928  -2.408442      5.294786  131.1337 54.04760 96.16229 45.29345 34.97144       70.51694 
1 1 1 38  8  1  o 363.1004 24.17476 33.22145       4.105525  34.80975       7.602454  32.56756       4.877959  339.6566 48.99946 353.7495 29.58549 -14.09286      57.23852 
1 1 1 38  8  2  o 202.2321 36.50394 11.26996       3.344854  17.48217       6.649892  9.165936       3.870060  223.6795 61.35503 173.8451 46.44257 49.83432       76.95032 
1 1 1 38  8  3  o 85.76691 37.86572 0.9635773E-01  2.993470  9.146850       5.881982  -3.067066      3.477493  162.6318 59.25532 75.33681 35.84388 87.29501       69.25298 
1 1 1 38  8  4  o 84.49311 37.94782 -0.3857565     3.141311  -11.14447      6.449277  2.960629       3.596821  84.32832 41.90725 112.5351 44.96458 -28.20674      61.46569 
1 1 1 38  8  5  o 181.9879 39.48423 9.369357       3.282964  4.325209       6.469891  11.11846       3.809879  133.1392 57.25489 196.1321 42.52066 -62.99289      71.31710 
1 1 1 38  8  6  o 180.8962 42.35624 9.497312       3.540757  0.5389418      6.496727  13.28258       4.223071  116.4339 53.19076 213.9982 43.43554 -97.56430      68.67243 
1 1 1 38  8  7  o 352.1104 27.20287 31.73120       4.470764  36.95006       8.541268  29.76174       5.246956  341.9934 54.95377 333.6975 33.89659 8.295868       64.56698 
1 1 1 38  8  8  o 450.4586 22.74421 50.65503       4.803840  57.22355       8.382475  47.44282       5.861927  453.1771 39.72283 427.8741 29.30069 25.30298       49.36025 
1 1 1 38  8  9  o 209.7532 38.28936 12.31907       3.638737  20.14269       6.383143  8.552807       4.428804  248.2875 55.98838 162.7956 51.56982 85.49188       76.11929 
1 1 1 38  8  10 o 67.69348 32.70366 -3.844562      3.156082  -3.148038      5.206398  -4.249209      3.968330  92.67736 44.02479 76.48862 36.88297 16.18874       57.43288 
1 1 1 38  8  11 o 148.1930 44.13533 6.664967       3.306363  6.417955       5.334249  6.819076       4.213373  140.7937 55.23005 145.7166 50.44399 -4.922974      74.79943 
1 1 1 38  8  12 o 183.3618 40.84361 9.842678       3.432621  16.87574       5.985154  6.395395       4.190264  221.2547 57.11573 140.9533 50.18449 80.30138       76.03085 
1 1 1 38  8  13 o 178.1910 42.15559 9.515817       3.478308  8.718788       5.878807  9.945123       4.314551  153.3063 58.55091 173.8514 50.04993 -20.54514      77.02731 
1 1 1 38  8  14 o 122.1805 48.28125 4.441905       4.104463  6.572533       5.819265  2.332640       5.790019  137.5803 56.37393 115.1656 51.63564 22.41468       76.44776 
1 1 1 38  8  15 o 127.6860 53.91454 5.211059       5.557186  5.211059       5.557186  0.000000       0.000000  127.6860 53.91454 ?        ?        0.000000       53.91454 
1 1 1 38  8  16 o 160.2053 60.85335 11.08205       6.328495  11.08205       6.328495  0.000000       0.000000  160.2053 60.85335 ?        ?        0.000000       60.85335 
1 1 1 38  8  17 o 114.2754 50.58192 3.454221       5.375300  3.454221       5.375300  0.000000       0.000000  114.2754 50.58192 ?        ?        0.000000       50.58192 
1 1 1 38  10 0  o 214.2147 60.36895 16.36742       6.344202  16.36742       6.344202  0.000000       0.000000  214.2147 60.36895 ?        ?        0.000000       60.36895 
1 1 1 38  10 1  o 165.7904 40.38374 7.977785       3.120305  20.72533       7.013044  4.831396       3.484171  242.7163 61.38374 128.1246 45.74594 114.5918       76.55491 
1 1 1 38  10 2  o 278.7876 26.77693 19.97225       3.468387  25.61831       7.231235  18.28525       3.952733  279.1283 57.00053 261.2487 32.89352 17.87961       65.81067 
1 1 1 38  10 3  o 100.5098 40.91119 2.025943       3.039264  -5.868015      6.155797  4.570460       3.494939  92.88190 45.06838 125.9706 45.70953 -33.08868      64.19128 
1 1 1 38  10 4  o 87.12488 38.61539 0.8908893E-01  3.142926  5.668847       6.933079  -1.354151      3.526044  139.6143 59.63211 83.36753 38.48611 56.24673       70.97301 
1 1 1 38  10 5  o 141.6785 51.70564 6.284643       4.481263  0.000000       0.000000  6.284643       4.481263  ?        ?        141.6785 51.70564 0.000000       51.70564 
1 1 1 38  10 6  f 142.6485 44.21803 6.094252       3.274360  -0.6195006     6.920752  8.030509       3.716653  113.6674 52.96727 161.9151 46.40607 -48.24774      70.42056 
1 1 1 38  10 7  o 285.6874 36.15051 22.35320       4.749475  0.000000       0.000000  22.35320       4.749475  ?        ?        285.6874 36.15051 0.000000       36.15051 
1 1 1 38  10 8  o 260.7017 38.67221 19.05110       4.598770  0.000000       0.000000  19.05110       4.598770  ?        ?        260.7017 38.67221 0.000000       38.67221 
1 1 1 38  10 9  o 124.3874 45.04182 4.492798       3.391042  0.3338288E-02  5.354641  7.498972       4.381677  105.3771 48.19727 151.5979 51.47414 -46.22076      70.51641 
1 1 1 38  10 10 o 186.5188 41.23517 10.18439       3.521760  16.96195       5.733503  6.077907       4.462910  226.1415 54.53182 138.0802 51.38777 88.06133       74.92945 
1 1 1 38  10 11 o 188.1481 40.50644 10.34653       3.478945  12.65458       5.582999  8.881442       4.448114  187.8108 57.66029 162.7966 51.69405 25.01414       77.44019 
1 1 1 38  10 12 o 171.5512 43.27999 8.976635       3.492410  11.80143       6.121135  7.613282       4.252485  174.2283 60.77330 150.6670 50.71180 23.56128       79.15227 
1 1 1 38  10 13 o 192.8613 48.96396 12.12582       4.450084  15.75208       6.571621  9.054698       6.047711  198.7164 62.80480 152.7747 59.11730 45.94171       86.25137 
1 1 1 38  10 14 o 115.9993 47.68053 3.764027       4.179196  15.77884       6.129013  -6.676576      5.713403  201.9451 60.07843 84.25259 41.41584 117.6925       72.97047 
1 1 1 38  10 15 f 124.2154 48.64771 5.028470       4.133264  2.296671       5.813426  7.821047       5.877740  112.2219 50.89695 141.0768 57.08587 -28.85496      76.48069 
1 1 1 38  10 16 o 139.0654 56.84888 7.901309       5.900380  7.901309       5.900380  0.000000       0.000000  139.0654 56.84888 ?        ?        0.000000       56.84888 
1 1 1 38  12 0  o 199.6718 33.95355 10.96226       3.074949  13.44530       6.628158  10.28128       3.471082  184.7210 63.30612 187.5656 40.52446 -2.844543      75.16579 
1 1 1 38  12 1  o 144.4016 41.38150 6.210640       2.955553  12.70214       6.526395  4.535873       3.314958  180.8889 62.77225 124.1591 44.59032 56.72973       76.99774 
1 1 1 38  12 2  o 71.03336 33.42469 -2.059229      2.870433  -1.215517      6.264707  -2.283425      3.229366  106.3240 49.82191 74.79089 35.27134 31.53308       61.04334 
1 1 1 38  12 3  o 96.64386 40.08360 1.686836       2.989701  -0.7390013     6.696651  2.290701       3.341157  110.6894 51.75376 104.1365 42.69852 6.552910       67.09408 
1 1 1 38  12 4  o 145.1726 42.92570 6.329062       3.136116  1.539834       6.953907  7.551834       3.513734  120.1193 54.93459 156.8960 45.16637 -36.77676      71.11829 
1 1 1 38  12 5  o 101.5874 40.99459 2.234283       3.022211  -2.018431      6.488050  3.412743       3.415376  105.3782 49.78671 114.0821 44.34769 -8.703896      66.67410 
1 1 1 38  12 6  o 219.8860 36.81868 13.48695       3.673691  0.000000       0.000000  13.48695       3.673691  ?        ?        219.8860 36.81868 0.000000       36.81868 
1 1 1 38  12 7  o 197.8730 40.14361 11.30877       3.608812  0.000000       0.000000  11.30877       3.608812  ?        ?        197.8730 40.14361 0.000000       40.14361 
1 1 1 38  12 8  o 165.3593 51.41217 9.078146       4.422735  0.000000       0.000000  9.078146       4.422735  ?        ?        165.3593 51.41217 0.000000       51.41217 
1 1 1 38  12 9  o 83.11043 39.26822 -2.433808      4.037141  0.000000       0.000000  -2.433808      4.037141  ?        ?        83.11043 39.26822 0.000000       39.26822 
1 1 1 38  12 10 o 93.55805 40.56457 1.044107       3.301404  4.030916       5.608229  -0.5398027     4.084014  123.8905 53.29266 91.54416 41.95168 32.34633       67.82368 
1 1 1 38  12 11 o 139.0608 44.84109 6.091789       3.337134  8.243164       5.681441  4.958578       4.123405  148.9473 57.39317 126.4674 48.84865 22.47996       75.36687 
1 1 1 38  12 12 o 109.1663 45.88183 2.814242       3.994647  1.535375       5.562082  4.176576       5.740720  109.8024 49.79382 122.9911 53.40855 -13.18867      73.01984 
1 1 1 38  12 13 o 97.84015 43.18097 1.250099       3.889525  7.363259       5.357145  -5.564804      5.656273  140.7082 55.29988 86.18224 42.12267 54.52600       69.51544 
1 1 1 38  12 14 o 95.04485 42.61604 0.8271064      3.944340  -0.2231272     5.384074  2.043698       5.794827  99.71553 46.55031 110.6977 50.44004 -10.98212      68.63766 
1 1 1 38  14 0  o 95.24500 39.60115 1.736090       2.928504  -3.103448      6.649951  2.900452       3.261824  100.8301 48.40113 107.1083 42.81124 -6.278145      64.61789 
1 1 1 38  14 1  o 116.7994 41.53997 3.963156       2.870270  16.51605       6.964471  1.394788       3.150248  201.7598 64.74960 94.56696 40.28910 107.1928       76.26088 
1 1 1 38  14 2  o 271.2231 27.24654 19.19768       3.429214  13.34721       7.627179  20.67995       3.839126  174.5534 66.68539 279.0492 29.70370 -104.4958      73.00172 
1 1 1 38  14 3  o 156.6516 40.70927 7.315527       3.027271  6.611178       6.823425  7.488142       3.377912  139.3374 59.32721 155.5697 44.12348 -16.23230      73.93645 
1 1 1 38  14 4  o 101.8352 42.52499 2.074687       3.397769  0.000000       0.000000  2.074687       3.397769  ?        ?        101.8352 42.52499 0.000000       42.52499 
1 1 1 38  14 5  o 114.4537 43.97269 3.621987       3.328132  0.000000       0.000000  3.621987       3.328132  ?        ?        114.4537 43.97269 0.000000       43.97269 
1 1 1 38  14 6  o 119.3156 44.70976 4.139908       3.389710  0.000000       0.000000  4.139908       3.389710  ?        ?        119.3156 44.70976 0.000000       44.70976 
1 1 1 38  14 7  o 108.0207 43.82672 2.850097       3.474384  0.000000       0.000000  2.850097       3.474384  ?        ?        108.0207 43.82672 0.000000       43.82672 
1 1 1 38  14 8  o 89.21877 39.90111 0.2259092      3.434226  0.000000       0.000000  0.2259092      3.434226  ?        ?        89.21877 39.90111 0.000000       39.90111 
1 1 1 38  14 9  o 110.3120 46.80927 2.780598       4.222248  0.000000       0.000000  2.780598       4.222248  ?        ?        110.3120 46.80927 0.000000       46.80927 
1 1 1 38  14 10 o 147.9328 60.41946 8.828776       6.657331  0.000000       0.000000  8.828776       6.657331  ?        ?        147.9328 60.41946 0.000000       60.41946 
1 1 1 38  14 11 o 74.85544 36.10863 -3.642236      3.812029  -7.327586      5.169327  0.7508919      5.643929  77.97712 38.53127 105.9666 48.83905 -27.98949      62.20862 
1 1 1 38  14 12 o 106.9348 45.43835 2.723457       3.987789  3.171819       5.520600  2.234245       5.766611  115.0753 51.08245 111.6700 50.66394 3.405258       71.94617 
1 1 1 38  16 0  o 104.3916 43.21934 2.634321       3.466816  17.00951       6.718463  -2.582415      4.047273  201.7023 63.47332 80.96742 38.56336 120.7349       74.26974 
1 1 1 38  16 1  o 185.8420 35.72690 9.889973       3.009813  17.58026       7.032301  8.165319       3.330251  203.0606 65.05331 161.4023 43.06474 41.65828       78.01605 
1 1 1 38  16 2  o 198.5770 41.21709 11.87051       3.724076  18.84958       7.016528  9.133430       4.394067  214.1755 64.40981 161.5194 51.38865 52.65613       82.39792 
1 1 1 38  16 3  o 224.2116 37.84801 14.53243       3.849693  0.000000       0.000000  14.53243       3.849693  ?        ?        224.2116 37.84801 0.000000       37.84801 
1 1 1 38  16 4  o 201.3729 49.32863 13.36162       4.635787  0.000000       0.000000  13.36162       4.635787  ?        ?        201.3729 49.32863 0.000000       49.32863 
1 1 1 38  16 5  o 132.9039 46.69783 5.732900       3.617232  0.000000       0.000000  5.732900       3.617232  ?        ?        132.9039 46.69783 0.000000       46.69783 
1 1 1 38  16 6  o 211.8503 39.22886 13.18907       3.765371  0.000000       0.000000  13.18907       3.765371  ?        ?        211.8503 39.22886 0.000000       39.22886 
1 1 1 38  16 7  o 246.8136 34.71484 17.12911       3.919050  0.000000       0.000000  17.12911       3.919050  ?        ?        246.8136 34.71484 0.000000       34.71484 
1 1 1 38  16 8  o 110.6780 44.31848 3.394514       3.502511  0.000000       0.000000  3.394514       3.502511  ?        ?        110.6780 44.31848 0.000000       44.31848 
1 1 1 38  16 9  o 90.09664 39.94546 0.7104502      3.365812  0.000000       0.000000  0.7104502      3.365812  ?        ?        90.09664 39.94546 0.000000       39.94546 
1 1 1 38  18 0  o 120.6492 44.86246 4.771875       3.400030  4.054697       5.987584  5.113184       4.130589  117.7952 52.68335 122.5916 48.43754 -4.796394      71.56627 
1 1 1 38  18 1  o 287.0173 27.00098 21.94720       3.602647  0.000000       0.000000  21.94720       3.602647  ?        ?        287.0173 27.00098 0.000000       27.00098 
1 1 1 38  18 2  o 69.25613 32.90695 -2.164265      2.912251  0.000000       0.000000  -2.164265      2.912251  ?        ?        69.25613 32.90695 0.000000       32.90695 
1 1 1 38  18 3  o 84.43497 37.60957 0.4051657      3.018254  0.000000       0.000000  0.4051657      3.018254  ?        ?        84.43497 37.60957 0.000000       37.60957 
1 1 1 38  18 4  o 122.7590 44.63831 4.873812       3.335586  0.000000       0.000000  4.873812       3.335586  ?        ?        122.7590 44.63831 0.000000       44.63831 
1 1 1 38  18 5  o 212.2062 38.15542 13.34383       3.668734  0.000000       0.000000  13.34383       3.668734  ?        ?        212.2062 38.15542 0.000000       38.15542 
1 1 1 39  1  0  o 315.6307 30.36419 26.36757       4.452642  30.37168       6.588075  23.00046       6.041359  319.0492 45.15792 272.4545 48.93667 46.59470       66.58855 
1 1 1 39  1  1  o 131.9055 46.52332 5.283318       3.593049  6.559310       5.101961  4.027749       5.060966  141.5347 54.42825 124.2159 51.88766 17.31887       75.19817 
1 1 1 39  1  2  o 110.1255 44.76917 2.806997       3.633764  0.3191973      5.185946  5.206558       5.093146  105.5733 47.95467 132.3641 53.28679 -26.79077      71.68774 
1 1 1 39  1  3  o 215.4490 37.57337 12.98631       3.669500  16.87574       6.671040  11.29893       4.393967  215.0949 62.32508 189.7691 48.91330 25.32581       79.22706 
1 1 1 39  1  4  o 83.62119 37.20114 -0.5589582E-01 2.943416  -4.761288      4.028904  5.330481       4.310596  75.43581 36.57037 132.9250 50.28740 -57.48920      62.17889 
1 1 1 39  1  5  o 89.78216 38.35069 0.9243389      2.867949  3.981654       3.935460  -2.538115      4.188104  121.1983 47.46847 85.15826 40.16260 36.04000       62.17950 
1 1 1 39  1  6  o 120.0854 42.41638 4.083446       2.987736  1.164342       4.232998  6.981404       4.217638  103.3512 45.34911 147.8239 50.49992 -44.47269      67.87330 
1 1 1 39  1  7  o 153.5526 42.02287 6.983518       3.123691  8.818481       4.479856  5.247178       4.357804  164.0555 51.85526 132.1605 50.42605 31.89499       72.33086 
1 1 1 39  1  8  o 152.5951 41.55307 6.884060       3.063187  9.652626       4.376417  4.225102       4.288910  172.8081 50.59857 123.7295 49.20792 49.07863       70.58070 
1 1 1 39  1  9  o 122.7520 44.91240 4.355165       3.384174  4.230083       5.529315  4.430086       4.279295  126.8720 53.68630 124.9235 49.31989 1.948471       72.90179 
1 1 1 39  1  10 o 130.5216 48.95434 5.205407       4.065718  6.456600       5.671109  3.882283       5.831846  139.9736 56.27167 125.2680 54.11349 14.70556       78.06901 
1 1 1 39  1  11 o 380.7861 30.84710 38.58054       5.477933  37.99049       7.817286  39.14983       7.678513  349.7477 48.84834 358.8313 46.58958 -9.083557      67.50369 
1 1 1 39  1  12 o 114.1226 51.69002 1.743460       5.972600  0.000000       0.000000  1.743460       5.972600  ?        ?        114.1226 51.69002 0.000000       51.69002 
1 1 1 39  1  13 o 160.1331 52.66189 9.000076       4.591611  5.659929       6.208706  13.03211       6.821504  132.0813 56.42321 175.4116 63.82758 -43.33034      85.19118 
1 1 1 39  1  14 o 105.4157 45.69365 2.167471       4.186837  2.444412       5.801823  1.866528       6.048011  114.1442 51.39062 112.6829 51.41646 1.461288       72.69558 
1 1 1 39  1  15 o 106.2125 46.69112 2.213955       4.505587  15.38645       6.825079  -7.960762      5.998393  186.2527 64.21758 82.89628 41.05972 103.3564       76.22202 
1 1 1 39  3  0  o 179.8980 44.30308 9.834873       3.724327  10.20146       5.659447  9.554854       4.946284  166.9399 58.42487 166.0083 54.66105 0.9315796      80.00810 
1 1 1 39  3  1  o 150.9504 47.32749 7.182395       3.739057  14.73284       5.730715  1.585556       4.933939  206.1559 57.12262 109.5861 48.48581 96.56977       74.92574 
1 1 1 39  3  2  o 81.36360 37.99418 -1.823887      3.590898  -5.240785      5.883570  0.2044560      4.533104  91.60467 44.35456 100.1100 45.21570 -8.505341      63.33867 
1 1 1 39  3  3  o 225.0139 34.50439 13.82396       3.535666  18.60880       6.918963  12.13289       4.113276  225.7901 62.83840 201.3745 44.59834 24.41554       77.05632 
1 1 1 39  3  4  o 140.4934 45.35873 6.008936       3.413832  3.593936       5.797818  7.290560       4.223634  124.9375 53.96309 150.5210 50.54008 -25.58349      73.93453 
1 1 1 39  3  5  o 92.13390 42.46878 -1.062423      4.269541  -6.504162      6.304955  3.546374       5.802390  92.06142 44.88158 124.7823 53.94005 -32.72092      70.17040 
1 1 1 39  3  6  o 165.1597 39.69721 7.879525       3.045943  8.539771       4.559368  7.347329       4.093432  160.8246 52.45673 151.6693 49.71554 9.155304       72.27270 
1 1 1 39  3  7  f 173.3505 38.63741 8.582399       3.070188  9.386738       4.361279  7.792199       4.322781  170.3018 50.68260 154.7498 51.10694 15.55200       71.97670 
1 1 1 39  3  8  o 267.9730 30.93558 19.05968       3.827937  20.18134       6.218359  18.37528       4.857359  248.1054 54.74821 251.0999 42.64854 -2.994461      69.39931 
1 1 1 39  3  9  o 106.8019 43.09532 2.638866       3.339596  -4.512486      5.192162  7.685058       4.361502  87.57929 42.22059 152.7332 51.35796 -65.15394      66.48472 
1 1 1 39  3  10 o 267.9341 30.86884 19.13578       3.819463  13.51070       6.030400  22.90392       4.935659  191.0666 60.13673 285.6106 37.65487 -94.54402      70.95290 
1 1 1 39  3  11 o 217.4658 46.48933 14.60301       4.611547  17.12842       6.502894  12.04816       6.540696  214.4174 61.36254 173.8762 62.61453 40.54118       87.66949 
1 1 1 39  3  12 o 167.3519 52.10395 9.606525       4.540781  4.741380       6.147248  15.44887       6.736378  128.2533 55.48005 195.8376 63.75643 -67.58432      84.51579 
1 1 1 39  3  13 o 196.8323 50.29602 12.87913       4.674199  13.48098       6.554271  12.25624       6.667823  180.2513 62.88603 170.4781 62.93704 9.773178       88.97035 
1 1 1 39  3  14 o 168.9358 53.30660 10.29976       4.735696  9.045779       6.447583  11.76873       6.978445  148.4681 59.88980 162.6574 63.34686 -14.18927      87.17576 
1 1 1 39  3  15 o 209.3119 64.22460 18.67717       6.927678  18.67717       6.927678  0.000000       0.000000  209.3119 64.22460 ?        ?        0.000000       64.22460 
1 1 1 39  3  16 o 215.2658 64.07491 20.07134       6.970194  20.07134       6.970194  0.000000       0.000000  215.2658 64.07491 ?        ?        0.000000       64.07491 
1 1 1 39  5  0  o 108.8917 43.63541 2.914805       3.398126  -0.1588588     5.100449  5.368083       4.556735  101.8373 46.74731 131.4515 51.18996 -29.61417      69.32333 
1 1 1 39  5  1  o 131.0694 46.94184 5.254667       3.671407  6.179369       5.674184  4.588739       4.815221  138.0976 56.01571 126.6317 51.51394 11.46590       76.10154 
1 1 1 39  5  2  o 72.15582 34.14750 -2.414578      3.075481  16.04340       6.245276  -8.323766      3.533649  211.3713 60.01179 59.56269 29.81789 151.8086       67.01135 
1 1 1 39  5  3  o 187.5685 38.30543 10.00316       3.265514  14.69382       6.522189  8.433951       3.772396  197.6062 62.58034 164.6062 46.60870 32.99997       78.02993 
1 1 1 39  5  4  o 240.7230 31.68364 15.48978       3.500582  29.96433       7.760887  11.79277       3.922237  300.7421 56.94402 199.8080 43.00425 100.9342       71.35816 
1 1 1 39  5  5  f 142.4958 45.42299 6.223252       3.431820  6.186089       6.549851  6.237315       4.029156  139.9206 58.77651 140.6873 49.29335 -0.7667084     76.71058 
1 1 1 39  5  6  o 80.15747 35.93015 -0.2909321     2.801577  1.313280       4.149551  -1.634717      3.797827  103.1808 45.09626 84.54852 39.34445 18.63229       59.84696 
1 1 1 39  5  7  o 108.8142 42.47617 2.968876       3.143192  6.566588       5.384337  1.109039       3.871298  141.4684 55.49067 99.71931 43.57137 41.74914       70.55267 
1 1 1 39  5  8  o 80.02319 36.95292 -1.252620      3.254189  -2.860583      5.325088  -0.2942083     4.111164  93.89111 44.57862 93.82304 42.64809 0.6806946E-01  61.69371 
1 1 1 39  5  9  o 124.8055 44.93134 4.618353       3.367785  12.56540       5.589185  0.8826847E-01  4.219867  187.4208 57.71745 96.44391 43.58669 90.97687       72.32636 
1 1 1 39  5  10 o 158.5873 44.82195 7.802997       3.492034  7.925090       5.905756  7.737362       4.330096  148.2305 58.12363 152.1208 51.17261 -3.890366      77.44025 
1 1 1 39  5  11 o 334.0030 27.86837 29.19382       4.338573  38.43639       7.568962  24.67099       5.294744  354.0842 46.57217 292.8915 39.43188 61.19266       61.02328 
1 1 1 39  5  12 o 199.2438 48.88009 12.88139       4.546720  14.06362       6.580477  11.80143       6.289456  185.3914 63.08021 170.8999 61.41521 14.49150       88.03943 
1 1 1 39  5  13 o 207.4072 48.79156 14.04948       4.680728  17.94887       6.500726  9.851368       6.745135  215.2192 61.26950 153.2972 61.46047 61.92198       86.78329 
1 1 1 39  5  14 o 334.3194 53.05380 37.96077       8.064816  37.96077       8.064816  0.000000       0.000000  334.3194 53.05380 ?        ?        0.000000       53.05380 
1 1 1 39  5  15 o 105.5731 49.17141 0.7265161      5.952757  0.7265161      5.952757  0.000000       0.000000  105.5731 49.17141 ?        ?        0.000000       49.17141 
1 1 1 39  5  16 o 109.0495 51.02682 1.531808       6.531697  1.531808       6.531697  0.000000       0.000000  109.0495 51.02682 ?        ?        0.000000       51.02682 
1 1 1 39  5  17 o 184.3981 63.93192 16.55470       6.769022  16.55470       6.769022  0.000000       0.000000  184.3981 63.93192 ?        ?        0.000000       63.93192 
1 1 1 39  7  0  o 92.63215 40.61754 0.7761118      3.390568  -2.421965      5.278140  3.022972       4.424095  94.11320 44.59558 113.9495 48.10920 -19.83628      65.59925 
1 1 1 39  7  1  o 405.4165 26.19053 42.32161       4.968061  44.38169       8.588887  41.28578       6.090304  376.4623 49.71680 389.9134 33.53104 -13.45114      59.96742 
1 1 1 39  7  2  o 83.84172 37.51395 -0.1008999     3.039403  1.255351       6.063016  -0.5561326     3.512655  113.7202 51.73083 86.37714 39.32450 27.34303       64.98073 
1 1 1 39  7  3  o 108.4658 42.29074 2.985264       3.113030  10.36266       6.347902  0.6492317      3.572054  164.6679 61.28584 94.01317 41.44222 70.65472       73.98251 
1 1 1 39  7  4  o 146.3744 43.65179 6.521658       3.232717  -0.4833532     6.352437  8.969759       3.755352  109.0978 50.80716 170.1754 45.87097 -61.07755      68.45081 
1 1 1 39  7  5  o 113.4981 42.62128 3.509449       3.083653  -5.653984      6.288867  6.409969       3.538190  93.33311 45.34835 143.4778 46.16237 -50.14474      64.71041 
1 1 1 39  7  6  o 109.4744 45.52207 2.628224       3.870229  0.000000       0.000000  2.628224       3.870229  ?        ?        109.4744 45.52207 0.000000       45.52207 
1 1 1 39  7  7  o 94.68199 40.78204 1.139124       3.292918  -5.549941      5.532480  4.808817       4.097812  87.37070 42.47041 126.9757 48.79088 -39.60500      64.68606 
1 1 1 39  7  8  o 317.5427 28.45725 26.39685       4.205645  22.85077       6.961473  28.43493       5.277607  255.9421 59.02677 320.8694 35.56362 -64.92734      68.91248 
1 1 1 39  7  9  o 125.4523 45.28597 4.744709       3.424027  7.666469       5.835414  3.210562       4.228467  146.3121 57.64754 114.5112 47.59653 31.80087       74.75740 
1 1 1 39  7  10 o 101.0995 42.51226 1.986810       3.432184  5.823425       5.862439  -0.1399971E-01 4.233573  133.9640 55.89273 95.20363 43.27669 38.76041       70.68854 
1 1 1 39  7  11 o 95.03417 41.47771 1.102739       3.499441  0.4524376E-01  5.614411  1.774586       4.475070  104.5427 48.36748 105.7438 46.50778 -1.201111      67.09983 
1 1 1 39  7  12 o 138.1826 45.96449 6.184770       3.494322  4.161713       5.620539  7.459378       4.461307  122.2984 52.97689 145.8049 51.79596 -23.50648      74.09029 
1 1 1 39  7  13 o 143.0987 58.83589 8.204519       6.365691  8.204519       6.365691  0.000000       0.000000  143.0987 58.83589 ?        ?        0.000000       58.83589 
1 1 1 39  7  14 o 141.1044 57.06130 7.990488       5.868722  7.990488       5.868722  0.000000       0.000000  141.1044 57.06130 ?        ?        0.000000       57.06130 
1 1 1 39  7  15 o 108.8773 50.34354 1.766647       6.069473  1.766647       6.069473  0.000000       0.000000  108.8773 50.34354 ?        ?        0.000000       50.34354 
1 1 1 39  7  16 o 138.7612 57.38414 8.558265       6.101754  8.558265       6.101754  0.000000       0.000000  138.7612 57.38414 ?        ?        0.000000       57.38414 
1 1 1 39  9  0  o 62.27029 30.90759 -6.649010      3.466521  -3.231272      6.167125  -8.227620      4.191320  97.40491 46.71817 66.98095 33.36668 30.42397       57.41013 
1 1 1 39  9  1  o 115.2642 44.39590 3.728937       3.398477  0.000000       0.000000  3.728937       3.398477  ?        ?        115.2642 44.39590 0.000000       44.39590 
1 1 1 39  9  2  o 132.7573 48.52769 5.584741       3.949608  1.731867       6.833792  7.517217       4.839789  118.0476 54.15979 147.3371 53.73975 -29.28944      76.29707 
1 1 1 39  9  3  o 174.4259 39.98370 8.929726       3.210564  17.00951       6.824159  6.632956       3.638379  209.0361 63.66864 144.3438 46.84929 64.69231       79.04778 
1 1 1 39  9  4  o 91.54058 40.48790 0.5149729      3.437595  0.000000       0.000000  0.5149729      3.437595  ?        ?        91.54058 40.48790 0.000000       40.48790 
1 1 1 39  9  5  o 110.6394 44.62156 3.054849       3.578398  0.000000       0.000000  3.054849       3.578398  ?        ?        110.6394 44.62156 0.000000       44.62156 
1 1 1 39  9  6  o 473.4193 26.87493 58.00021       5.960308  0.000000       0.000000  58.00021       5.960308  ?        ?        473.4193 26.87493 0.000000       26.87493 
1 1 1 39  9  7  o 194.2131 47.59522 11.93719       4.314305  0.000000       0.000000  11.93719       4.314305  ?        ?        194.2131 47.59522 0.000000       47.59522 
1 1 1 39  9  8  o 151.1357 45.82600 7.250726       3.541085  -3.760405      5.442168  15.33554       4.663274  90.85126 43.65739 222.8436 46.01019 -131.9923      63.42638 
1 1 1 39  9  9  o 162.3274 43.79782 8.180441       3.421619  11.10880       5.525721  6.359371       4.357528  171.9342 57.80754 137.9316 50.88708 34.00258       77.01432 
1 1 1 39  9  10 o 83.05939 38.00388 -0.6227902     3.333529  1.426576       5.566766  -1.768537      4.162340  109.5539 49.73250 86.03212 40.40818 23.52183       64.07919 
1 1 1 39  9  11 o 82.31272 37.98934 -0.9035994     3.432311  3.079667       5.956063  -2.884103      4.199789  117.6192 52.57887 81.73120 39.02526 35.88799       65.47907 
1 1 1 39  9  12 o 104.4983 44.96882 2.285570       3.996284  3.804994       5.550456  0.6501189      5.758482  118.8408 52.04261 105.7342 48.94175 13.10661       71.44038 
1 1 1 39  9  13 o 149.4182 49.37656 7.861892       4.034787  12.64269       5.900174  3.662307       5.529907  174.1547 59.72730 116.8209 51.52638 57.33381       78.88168 
1 1 1 39  9  14 f 89.95037 43.65324 -3.757432      5.781764  -3.757432      5.781764  0.000000       0.000000  89.95037 43.65324 ?        ?        0.000000       43.65324 
1 1 1 39  9  15 o 178.5675 62.79858 15.00892       6.542272  15.00892       6.542272  0.000000       0.000000  178.5675 62.79858 ?        ?        0.000000       62.79858 
1 1 1 39  11 0  o 162.9109 44.95655 8.464765       3.557725  11.53686       6.591559  7.201912       4.226171  164.7785 62.22177 144.4683 50.49164 20.31020       80.13086 
1 1 1 39  11 1  o 197.3235 35.58278 11.03304       3.181336  9.931630       6.640099  11.36119       3.624401  155.1286 61.37532 195.1438 40.79634 -40.01520      73.69716 
1 1 1 39  11 2  f 147.9428 42.82896 6.787109       3.151500  2.935196       6.523088  7.959964       3.599458  120.0183 54.22068 157.6420 45.81070 -37.62371      70.98241 
1 1 1 39  11 3  o 84.97460 38.60143 -0.3603654     3.361190  0.000000       0.000000  -0.3603654     3.361190  ?        ?        84.97460 38.60143 0.000000       38.60143 
1 1 1 39  11 4  f 130.7473 46.40958 5.401278       3.580982  0.000000       0.000000  5.401278       3.580982  ?        ?        130.7473 46.40958 0.000000       46.40958 
1 1 1 39  11 5  o 132.2283 45.92885 5.528166       3.494280  0.000000       0.000000  5.528166       3.494280  ?        ?        132.2283 45.92885 0.000000       45.92885 
1 1 1 39  11 6  o 102.2653 42.47160 2.263148       3.362945  0.000000       0.000000  2.263148       3.362945  ?        ?        102.2653 42.47160 0.000000       42.47160 
1 1 1 39  11 7  o 104.0233 43.61998 2.341090       3.597057  0.000000       0.000000  2.341090       3.597057  ?        ?        104.0233 43.61998 0.000000       43.61998 
1 1 1 39  11 8  o 104.8265 43.61382 2.516742       3.555400  0.000000       0.000000  2.516742       3.555400  ?        ?        104.8265 43.61382 0.000000       43.61382 
1 1 1 39  11 9  o 186.3486 48.13666 11.40851       4.249397  9.536267       5.599670  13.95065       6.525014  156.1486 57.67023 182.1249 62.79029 -25.97632      85.25536 
1 1 1 39  11 10 o 146.7519 45.00209 6.996648       3.401920  5.876933       5.440955  7.715333       4.359033  130.5083 54.09712 147.3423 51.29139 -16.83405      74.54733 
1 1 1 39  11 11 o 81.83006 38.50559 -1.690609      3.809670  0.1203329E-01  5.628424  -3.130202      5.175414  102.0925 47.63813 88.51177 42.54358 13.58075       63.86977 
1 1 1 39  11 12 o 101.1356 44.52298 1.829125       4.109745  -0.5526160     5.600737  4.607610       6.049256  99.09299 46.64657 121.7402 53.78389 -22.64725      71.19417 
1 1 1 39  11 13 o 88.29871 40.50808 -0.6741577E-01 3.821908  0.7639715      5.167545  -1.071344      5.678503  100.7473 46.53800 96.87659 46.00724 3.870659       65.44044 
1 1 1 39  13 0  o 238.7768 28.84658 15.35677       3.174407  20.44590       7.329237  14.18167       3.521882  217.0351 65.95554 223.4937 34.61914 -6.458557      74.48905 
1 1 1 39  13 1  o 146.9258 46.18457 7.159716       3.558081  0.000000       0.000000  7.159716       3.558081  ?        ?        146.9258 46.18457 0.000000       46.18457 
1 1 1 39  13 2  o 202.5138 39.58687 12.19687       3.635991  0.000000       0.000000  12.19687       3.635991  ?        ?        202.5138 39.58687 0.000000       39.58687 
1 1 1 39  13 3  o 94.24300 41.07639 1.227013       3.421621  0.000000       0.000000  1.227013       3.421621  ?        ?        94.24300 41.07639 0.000000       41.07639 
1 1 1 39  13 4  o 82.28144 37.98711 -0.8787663     3.435999  0.000000       0.000000  -0.8787663     3.435999  ?        ?        82.28144 37.98711 0.000000       37.98711 
1 1 1 39  13 5  o 105.7174 44.17157 2.653379       3.668983  0.000000       0.000000  2.653379       3.668983  ?        ?        105.7174 44.17157 0.000000       44.17157 
1 1 1 39  13 6  o 139.5425 47.89977 6.558824       3.795189  0.000000       0.000000  6.558824       3.795189  ?        ?        139.5425 47.89977 0.000000       47.89977 
1 1 1 39  13 7  o 130.9382 47.11263 5.672738       3.702224  0.000000       0.000000  5.672738       3.702224  ?        ?        130.9382 47.11263 0.000000       47.11263 
1 1 1 39  13 8  o 89.10126 39.77028 0.5161303      3.393848  0.000000       0.000000  0.5161303      3.393848  ?        ?        89.10126 39.77028 0.000000       39.77028 
1 1 1 39  13 9  o 72.41587 34.76297 -2.988684      3.431150  0.000000       0.000000  -2.988684      3.431150  ?        ?        72.41587 34.76297 0.000000       34.76297 
1 1 1 39  13 10 o 129.8797 53.99310 6.197979       5.442629  0.000000       0.000000  6.197979       5.442629  ?        ?        129.8797 53.99310 0.000000       53.99310 
1 1 1 39  13 11 o 140.2934 49.64891 7.150570       4.095376  10.04459       5.783003  4.239002       5.800510  152.5804 58.12008 118.3941 52.46784 34.18636       78.29954 
1 1 1 39  15 0  o 187.1745 38.62988 10.61453       3.288468  0.000000       0.000000  10.61453       3.288468  ?        ?        187.1745 38.62988 0.000000       38.62988 
1 1 1 39  15 1  o 60.66326 29.93229 -5.060617      3.079726  0.000000       0.000000  -5.060617      3.079726  ?        ?        60.66326 29.93229 0.000000       29.93229 
1 1 1 39  15 2  o 218.8794 37.81800 14.18977       3.752974  0.000000       0.000000  14.18977       3.752974  ?        ?        218.8794 37.81800 0.000000       37.81800 
1 1 1 39  15 3  o 152.2398 47.14114 7.949610       3.722700  0.000000       0.000000  7.949610       3.722700  ?        ?        152.2398 47.14114 0.000000       47.14114 
1 1 1 39  15 4  o 101.0138 44.41113 1.856662       4.077385  0.000000       0.000000  1.856662       4.077385  ?        ?        101.0138 44.41113 0.000000       44.41113 
1 1 1 39  15 5  o 76.37244 36.97337 -3.777226      4.084472  0.000000       0.000000  -3.777226      4.084472  ?        ?        76.37244 36.97337 0.000000       36.97337 
1 1 1 39  15 6  o 95.90626 43.33400 0.8482815      4.168378  0.000000       0.000000  0.8482815      4.168378  ?        ?        95.90626 43.33400 0.000000       43.33400 
1 1 1 39  15 7  o 144.1104 53.68377 8.087091       4.872939  0.000000       0.000000  8.087091       4.872939  ?        ?        144.1104 53.68377 0.000000       53.68377 
1 1 1 39  15 8  o 96.86612 44.19201 0.7724597      4.465472  0.000000       0.000000  0.7724597      4.465472  ?        ?        96.86612 44.19201 0.000000       44.19201 
1 1 1 39  15 9  o 114.4604 48.16706 4.065000       4.411396  0.000000       0.000000  4.065000       4.411396  ?        ?        114.4604 48.16706 0.000000       48.16706 
1 1 1 39  17 0  o 77.85773 36.71259 -1.377332      3.496459  0.000000       0.000000  -1.377332      3.496459  ?        ?        77.85773 36.71259 0.000000       36.71259 
1 1 1 39  17 1  o 71.36428 33.97510 -2.051477      3.134456  0.000000       0.000000  -2.051477      3.134456  ?        ?        71.36428 33.97510 0.000000       33.97510 
1 1 1 39  17 2  o 77.83652 36.15171 -0.7987610     3.181931  0.000000       0.000000  -0.7987610     3.181931  ?        ?        77.83652 36.15171 0.000000       36.15171 
1 1 1 39  17 3  o 293.4297 27.82989 23.36925       3.795415  0.000000       0.000000  23.36925       3.795415  ?        ?        293.4297 27.82989 0.000000       27.82989 
1 1 1 39  17 4  o 94.40825 42.61068 1.068021       4.017670  0.000000       0.000000  1.068021       4.017670  ?        ?        94.40825 42.61068 0.000000       42.61068 
1 1 1 40  0  0  o 195.2850 63.63400 12.21925       5.174829  12.21925       5.174829  12.21925       5.174829  195.2850 63.63400 195.2850 63.63400 0.000000       0.000000 
1 1 1 40  0  1  o 210.6084 64.08327 13.88002       5.543475  13.88002       5.543475  13.88002       5.543475  210.6084 64.08327 210.6084 64.08327 0.000000       0.000000 
1 1 1 40  0  2  o 165.6889 67.83184 9.852283       5.212744  9.852283       5.212744  9.852283       5.212744  165.6889 67.83184 165.6889 67.83184 0.000000       0.000000 
1 1 1 40  0  3  o 57.70975 41.06289 -6.116108      4.835101  -6.116108      4.835101  -6.116108      4.835101  57.70975 41.06289 57.70975 41.06289 0.000000       0.000000 
1 1 1 40  0  4  o 224.9330 50.70256 14.25427       4.680776  14.25427       4.680776  14.25427       4.680776  224.9330 50.70256 224.9330 50.70256 0.000000       0.000000 
1 1 1 40  0  5  o 77.93748 49.78866 0.7722646      4.071149  0.7722646      4.071149  0.7722646      4.071149  77.93748 49.78866 77.93748 49.78866 0.000000       0.000000 
1 1 1 40  0  6  o 325.7197 45.94438 27.87753       6.636425  27.87753       6.636425  27.87753       6.636425  325.7197 45.94438 325.7197 45.94438 0.000000       0.000000 
1 1 1 40  0  7  o 130.0252 69.20275 6.843045       5.731887  6.843045       5.731887  6.843045       5.731887  130.0252 69.20275 130.0252 69.20275 0.000000       0.000000 
1 1 1 40  0  8  o 131.3890 69.25523 7.036267       5.697829  7.036267       5.697829  7.036267       5.697829  131.3890 69.25523 131.3890 69.25523 0.000000       0.000000 
1 1 1 40  0  9  o 147.5717 71.25176 8.787159       5.750103  8.787159       5.750103  8.787159       5.750103  147.5717 71.25176 147.5717 71.25176 0.000000       0.000000 
1 1 1 40  0  10 o 109.7461 65.75209 4.348989       6.067463  4.348989       6.067463  4.348989       6.067463  109.7461 65.75209 109.7461 65.75209 0.000000       0.000000 
1 1 1 40  0  11 o 138.1329 72.15645 8.121284       6.143529  8.121284       6.143529  8.121284       6.143529  138.1329 72.15645 138.1329 72.15645 0.000000       0.000000 
1 1 1 40  0  12 o 146.4519 73.27960 9.152795       6.168581  9.152795       6.168581  9.152795       6.168581  146.4519 73.27960 146.4519 73.27960 0.000000       0.000000 
1 1 1 40  0  13 o 57.52197 41.46935 -8.754459      5.646467  -8.754459      5.646467  -8.754459      5.646467  57.52197 41.46935 57.52197 41.46935 0.000000       0.000000 
1 1 1 40  2  0  o 129.8343 46.60316 5.441610       3.620528  -3.292661      5.059521  14.60782       5.183116  88.03031 42.24664 205.0386 53.25980 -117.0083      67.98077 
1 1 1 40  2  1  o 329.5124 42.17475 32.41689       6.387222  32.41689       6.387222  0.000000       0.000000  329.5124 42.17475 ?        ?        0.000000       42.17475 
1 1 1 40  2  2  o 156.4726 46.39661 7.914027       3.659821  5.845148       5.374140  9.703335       4.997858  132.4718 54.21561 163.1532 54.97651 -30.68144      77.21236 
1 1 1 40  2  3  o 78.65852 36.23701 -0.9870496     3.102420  1.472057       5.702864  -2.020734      3.697415  110.7886 50.30984 80.46252 37.88382 30.32612       62.97829 
1 1 1 40  2  4  o 76.49861 35.79510 -1.690654      3.214080  -1.265458      6.043084  -1.858376      3.795418  102.5426 48.32577 82.27048 38.62364 20.27209       61.86409 
1 1 1 40  2  5  o 226.7086 36.33886 14.52617       3.744426  9.081451       6.168324  17.70332       4.711923  152.8402 59.54739 243.2204 42.74404 -90.38019      73.30037 
1 1 1 40  2  6  o 242.6309 33.57832 16.23476       3.729706  19.81570       6.393022  14.38708       4.592199  235.5847 58.06164 213.7260 46.95921 21.85875       74.67477 
1 1 1 40  2  7  o 165.8860 49.32264 9.177595       4.131790  8.680143       5.757795  9.705709       5.932591  151.1089 57.88940 157.6393 59.13312 -6.530334      82.75210 
1 1 1 40  2  8  o 142.5429 57.31345 7.529727       5.884029  0.000000       0.000000  7.529727       5.884029  ?        ?        142.5429 57.31345 0.000000       57.31345 
1 1 1 40  2  9  o 137.9398 50.19476 6.464122       4.218780  11.29608       6.165132  2.208978       5.785462  166.2494 60.65086 113.4589 51.17800 52.79047       79.35814 
1 1 1 40  2  10 o 197.3856 48.72444 12.85237       4.496782  9.289537       6.138082  16.97979       6.606548  151.2702 59.27230 204.3540 62.72089 -53.08385      86.29667 
1 1 1 40  2  11 o 108.9493 46.06308 2.939193       4.064982  -3.632581      5.676941  9.854341       5.823362  91.02872 43.94822 155.3225 58.52309 -64.29382      73.18742 
1 1 1 40  2  12 o 78.56915 37.85090 -3.405454      4.155306  0.8174793      5.771931  -7.948871      5.986946  105.3718 48.85323 82.48169 40.88408 22.89008       63.70358 
1 1 1 40  2  13 o 105.5056 48.90362 1.125149       5.778793  1.125149       5.778793  0.000000       0.000000  105.5056 48.90362 ?        ?        0.000000       48.90362 
1 1 1 40  2  14 o 97.10181 46.51112 -1.480381      6.067697  -1.480381      6.067697  0.000000       0.000000  97.10181 46.51112 ?        ?        0.000000       46.51112 
1 1 1 40  4  0  o 289.4431 33.69600 23.30795       4.501998  26.11016       6.042957  19.81273       6.748960  288.7484 46.03577 225.3548 61.80862 63.39351       77.06879 
1 1 1 40  4  1  o 220.9336 49.98023 16.08117       5.072866  15.25990       5.878997  18.47503       10.03713  201.2418 58.56525 179.8342 73.90270 21.40759       94.29474 
1 1 1 40  4  2  o 94.68810 41.97988 0.8257900      3.717113  1.445303       6.264308  0.4891176      4.617974  112.6140 51.73587 99.55848 45.23408 13.05556       68.72206 
1 1 1 40  4  3  o 152.1673 47.32685 7.593595       3.747419  0.000000       0.000000  7.593595       3.747419  ?        ?        152.1673 47.32685 0.000000       47.32685 
1 1 1 40  4  4  o 146.4576 47.07225 6.999301       3.679768  0.000000       0.000000  6.999301       3.679768  ?        ?        146.4576 47.07225 0.000000       47.07225 
1 1 1 40  4  5  o 103.0185 44.34283 1.932462       3.887716  0.000000       0.000000  1.932462       3.887716  ?        ?        103.0185 44.34283 0.000000       44.34283 
1 1 1 40  4  6  o 96.33413 40.69574 1.679151       3.168640  -2.878122      5.262834  4.270526       3.968554  91.52801 43.69833 120.1895 47.48130 -28.66149      64.52920 
1 1 1 40  4  7  o 328.7232 26.68285 28.20912       4.090418  29.42925       6.914865  27.55236       5.073225  301.2205 50.59493 314.2454 34.90990 -13.02496      61.46990 
1 1 1 40  4  8  o 114.3998 47.42692 3.493483       4.182803  12.67539       6.171638  -4.307373      5.688597  176.7348 61.05869 90.20790 43.66195 86.52690       75.06350 
1 1 1 40  4  9  o 134.1293 49.53487 6.060108       4.131122  3.796077       5.643312  8.674198       6.063914  119.9553 52.50479 147.8989 58.60857 -27.94363      78.68747 
1 1 1 40  4  10 o 116.6125 47.29100 3.990267       4.043373  4.536267       5.565408  3.379905       5.884293  122.8627 52.96902 117.8486 52.50148 5.014099       74.57964 
1 1 1 40  4  11 o 149.1844 50.97236 7.987435       4.296929  3.156956       5.629584  14.72949       6.650854  115.1515 51.32238 182.9585 63.37490 -67.80701      81.54977 
1 1 1 40  4  12 o 108.5639 50.17481 1.506243       6.018322  1.506243       6.018322  0.000000       0.000000  108.5639 50.17481 ?        ?        0.000000       50.17481 
1 1 1 40  4  13 f 91.87692 44.27517 -2.754162      5.696050  -2.754162      5.696050  0.000000       0.000000  91.87692 44.27517 ?        ?        0.000000       44.27517 
1 1 1 40  4  14 o 135.3156 57.64278 8.139121       6.447143  8.139121       6.447143  0.000000       0.000000  135.3156 57.64278 ?        ?        0.000000       57.64278 
1 1 1 40  4  15 o 161.3537 63.11554 13.78419       6.950850  13.78419       6.950850  0.000000       0.000000  161.3537 63.11554 ?        ?        0.000000       63.11554 
1 1 1 40  6  0  o 124.6671 45.63370 4.973795       3.494312  6.379878       5.221993  3.833707       4.702188  133.5568 53.88984 116.8355 49.47762 16.72127       73.15839 
1 1 1 40  6  1  o 135.5702 63.29596 6.620096       9.959186  6.620096       9.959186  0.000000       0.000000  135.5702 63.29596 ?        ?        0.000000       63.29596 
1 1 1 40  6  2  o 120.5431 45.53050 4.459815       3.530072  0.000000       0.000000  4.459815       3.530072  ?        ?        120.5431 45.53050 0.000000       45.53050 
1 1 1 40  6  3  o 201.3002 41.47755 12.20047       3.796932  0.000000       0.000000  12.20047       3.796932  ?        ?        201.3002 41.47755 0.000000       41.47755 
1 1 1 40  6  4  o 92.24834 40.84557 0.7255268      3.507940  0.000000       0.000000  0.7255268      3.507940  ?        ?        92.24834 40.84557 0.000000       40.84557 
1 1 1 40  6  5  o 225.2825 36.49181 14.46844       3.734889  0.000000       0.000000  14.46844       3.734889  ?        ?        225.2825 36.49181 0.000000       36.49181 
1 1 1 40  6  6  o 106.4732 45.41154 2.440949       4.010226  0.000000       0.000000  2.440949       4.010226  ?        ?        106.4732 45.41154 0.000000       45.41154 
1 1 1 40  6  7  o 86.89162 38.89902 0.2207785      3.272562  8.837694       5.630158  -4.176007      4.021724  150.9586 57.38409 75.51230 36.58995 75.44632       68.05703 
1 1 1 40  6  8  o 271.5128 32.20486 20.26164       4.033022  24.82462       6.674904  17.63809       5.061349  267.7878 54.83420 234.6359 47.48655 33.15192       72.53801 
1 1 1 40  6  9  o 173.2244 51.02390 10.48059       4.438551  4.690845       5.859910  18.27289       6.798203  123.9933 53.90207 210.4724 63.42316 -86.47908      83.23418 
1 1 1 40  6  10 o 151.8942 51.10643 8.287919       4.318912  12.33056       6.185123  4.441142       6.033430  169.8712 60.91866 122.1713 53.85707 47.69988       81.31216 
1 1 1 40  6  11 o 141.0179 57.61506 8.180737       6.056278  8.180737       6.056278  0.000000       0.000000  141.0179 57.61506 ?        ?        0.000000       57.61506 
1 1 1 40  6  12 o 126.9444 55.40578 5.915577       6.244446  5.915577       6.244446  0.000000       0.000000  126.9444 55.40578 ?        ?        0.000000       55.40578 
1 1 1 40  6  13 o 159.0513 61.74196 12.22949       6.612833  12.22949       6.612833  0.000000       0.000000  159.0513 61.74196 ?        ?        0.000000       61.74196 
1 1 1 40  6  14 o 137.2389 58.73754 9.004163       6.751469  9.004163       6.751469  0.000000       0.000000  137.2389 58.73754 ?        ?        0.000000       58.73754 
1 1 1 40  6  15 o 145.8952 59.82955 10.98692       6.561201  10.98692       6.561201  0.000000       0.000000  145.8952 59.82955 ?        ?        0.000000       59.82955 
1 1 1 40  8  0  o 127.3922 48.40933 5.471566       4.005923  0.1865339      8.007222  7.235957       4.626532  112.4039 53.73052 140.2244 52.29453 -27.82046      74.97791 
1 1 1 40  8  1  o 146.8038 54.53367 8.196365       5.021497  0.000000       0.000000  8.196365       5.021497  ?        ?        146.8038 54.53367 0.000000       54.53367 
1 1 1 40  8  2  o 133.2464 46.18245 5.849382       3.532057  0.000000       0.000000  5.849382       3.532057  ?        ?        133.2464 46.18245 0.000000       46.18245 
1 1 1 40  8  3  f 83.58462 38.37002 -0.5976100     3.436640  0.000000       0.000000  -0.5976100     3.436640  ?        ?        83.58462 38.37002 0.000000       38.37002 
1 1 1 40  8  4  o 93.68062 40.82829 1.198825       3.379861  0.000000       0.000000  1.198825       3.379861  ?        ?        93.68062 40.82829 0.000000       40.82829 
1 1 1 40  8  5  o 112.8098 44.23349 3.662938       3.420299  0.000000       0.000000  3.662938       3.420299  ?        ?        112.8098 44.23349 0.000000       44.23349 
1 1 1 40  8  6  o 137.4320 47.11862 6.298710       3.671878  0.000000       0.000000  6.298710       3.671878  ?        ?        137.4320 47.11862 0.000000       47.11862 
1 1 1 40  8  7  o 163.2750 51.73985 9.519774       4.457756  0.000000       0.000000  9.519774       4.457756  ?        ?        163.2750 51.73985 0.000000       51.73985 
1 1 1 40  8  8  o 144.5150 46.46350 6.988608       3.584979  -0.5011891     6.044911  11.05209       4.452503  102.6423 48.36075 178.0015 50.71800 -75.35922      70.07908 
1 1 1 40  8  9  o 90.89950 40.27341 0.8355535      3.415530  -2.640607      5.413457  3.134482       4.402380  91.47937 43.84813 110.6716 47.40050 -19.19221      64.57140 
1 1 1 40  8  10 o 176.5009 61.98029 13.80500       6.371773  13.80500       6.371773  0.000000       0.000000  176.5009 61.98029 ?        ?        0.000000       61.98029 
1 1 1 40  8  11 o 108.7462 50.31712 1.774673       6.078309  1.774673       6.078309  0.000000       0.000000  108.7462 50.31712 ?        ?        0.000000       50.31712 
1 1 1 40  8  12 o 113.2697 50.32657 3.590963       5.370201  3.590963       5.370201  0.000000       0.000000  113.2697 50.32657 ?        ?        0.000000       50.32657 
1 1 1 40  8  13 o 98.60934 46.53444 0.3507729E-01  5.637952  0.3507729E-01  5.637952  0.000000       0.000000  98.60934 46.53444 ?        ?        0.000000       46.53444 
1 1 1 40  8  14 o 215.0255 61.58591 20.41023       6.547852  20.41023       6.547852  0.000000       0.000000  215.0255 61.58591 ?        ?        0.000000       61.58591 
1 1 1 40  10 0  o 159.0992 47.56359 8.752119       3.834574  14.78002       7.141808  6.310508       4.545306  173.7065 64.93513 131.4369 51.14195 42.26962       82.65634 
1 1 1 40  10 1  o 113.9646 44.71371 3.971810       3.496856  0.000000       0.000000  3.971810       3.496856  ?        ?        113.9646 44.71371 0.000000       44.71371 
1 1 1 40  10 2  o 130.3740 45.88421 5.676207       3.493192  0.000000       0.000000  5.676207       3.493192  ?        ?        130.3740 45.88421 0.000000       45.88421 
1 1 1 40  10 3  o 190.4776 40.80118 11.09549       3.545689  0.000000       0.000000  11.09549       3.545689  ?        ?        190.4776 40.80118 0.000000       40.80118 
1 1 1 40  10 4  o 73.45174 34.98512 -2.431203      3.331712  0.000000       0.000000  -2.431203      3.331712  ?        ?        73.45174 34.98512 0.000000       34.98512 
1 1 1 40  10 5  o 142.2542 50.68261 7.280994       4.274562  0.000000       0.000000  7.280994       4.274562  ?        ?        142.2542 50.68261 0.000000       50.68261 
1 1 1 40  10 6  o 132.6405 46.03655 5.887450       3.510363  0.000000       0.000000  5.887450       3.510363  ?        ?        132.6405 46.03655 0.000000       46.03655 
1 1 1 40  10 7  o 159.4852 46.53569 8.566035       3.707537  0.000000       0.000000  8.566035       3.707537  ?        ?        159.4852 46.53569 0.000000       46.53569 
1 1 1 40  10 8  o 123.2363 49.57013 5.131756       4.403391  0.000000       0.000000  5.131756       4.403391  ?        ?        123.2363 49.57013 0.000000       49.57013 
1 1 1 40  10 9  o 179.0354 49.61979 11.27581       4.323624  14.76219       6.058557  7.657551       6.172077  186.1998 60.45622 135.8897 57.06839 50.31009       83.13697 
1 1 1 40  10 10 f 153.7391 50.22618 8.711697       4.179245  10.08026       5.787623  7.220572       6.041218  151.5353 58.04239 132.6154 56.11653 18.91992       80.73403 
1 1 1 40  10 11 o 315.5282 53.08634 35.64210       7.599590  35.64210       7.599590  0.000000       0.000000  315.5282 53.08634 ?        ?        0.000000       53.08634 
1 1 1 40  10 12 f 216.0006 60.79854 19.92271       6.438866  19.92271       6.438866  0.000000       0.000000  216.0006 60.79854 ?        ?        0.000000       60.79854 
1 1 1 40  12 0  o 101.8432 42.73511 2.697463       3.456456  1.695601       6.581009  3.079107       4.061791  108.4187 50.88661 106.5259 45.57493 1.892853       68.31194 
1 1 1 40  12 1  o 167.5380 44.14647 9.286464       3.528023  0.000000       0.000000  9.286464       3.528023  ?        ?        167.5380 44.14647 0.000000       44.14647 
1 1 1 40  12 2  o 109.8655 43.57436 3.644402       3.354582  0.000000       0.000000  3.644402       3.354582  ?        ?        109.8655 43.57436 0.000000       43.57436 
1 1 1 40  12 3  o 202.1917 41.01674 12.68430       3.767764  0.000000       0.000000  12.68430       3.767764  ?        ?        202.1917 41.01674 0.000000       41.01674 
1 1 1 40  12 4  o 119.1937 46.26955 4.681475       3.713782  0.000000       0.000000  4.681475       3.713782  ?        ?        119.1937 46.26955 0.000000       46.26955 
1 1 1 40  12 5  o 100.0342 43.13840 2.157840       3.693267  0.000000       0.000000  2.157840       3.693267  ?        ?        100.0342 43.13840 0.000000       43.13840 
1 1 1 40  12 6  o 81.69573 38.14137 -1.039934      3.615811  0.000000       0.000000  -1.039934      3.615811  ?        ?        81.69573 38.14137 0.000000       38.14137 
1 1 1 40  12 7  o 122.2816 45.88023 5.054656       3.571757  0.000000       0.000000  5.054656       3.571757  ?        ?        122.2816 45.88023 0.000000       45.88023 
1 1 1 40  12 8  o 187.9217 53.11867 13.28021       4.904181  0.000000       0.000000  13.28021       4.904181  ?        ?        187.9217 53.11867 0.000000       53.11867 
1 1 1 40  12 9  o 89.13358 42.01372 -0.9459224     4.571188  0.000000       0.000000  -0.9459224     4.571188  ?        ?        89.13358 42.01372 0.000000       42.01372 
1 1 1 40  12 10 o 118.2829 47.62664 4.884691       4.069422  5.261594       5.587633  4.458978       5.938437  119.9883 52.38921 116.3422 52.21909 3.646080       73.96934 
1 1 1 40  14 0  o 129.4992 48.16454 6.355249       3.919417  0.000000       0.000000  6.355249       3.919417  ?        ?        129.4992 48.16454 0.000000       48.16454 
1 1 1 40  14 1  o 143.1068 45.86318 7.313110       3.495074  0.000000       0.000000  7.313110       3.495074  ?        ?        143.1068 45.86318 0.000000       45.86318 
1 1 1 40  14 2  o 91.15088 40.28183 1.301826       3.395740  0.000000       0.000000  1.301826       3.395740  ?        ?        91.15088 40.28183 0.000000       40.28183 
1 1 1 40  14 3  o 215.1703 39.50476 14.33960       3.851185  0.000000       0.000000  14.33960       3.851185  ?        ?        215.1703 39.50476 0.000000       39.50476 
1 1 1 40  14 4  o 222.4718 40.73485 15.52140       4.105854  0.000000       0.000000  15.52140       4.105854  ?        ?        222.4718 40.73485 0.000000       40.73485 
1 1 1 40  14 5  o 89.27113 40.04490 0.8514909      3.486828  0.000000       0.000000  0.8514909      3.486828  ?        ?        89.27113 40.04490 0.000000       40.04490 
1 1 1 40  14 6  o 141.8635 47.11746 7.300105       3.672331  0.000000       0.000000  7.300105       3.672331  ?        ?        141.8635 47.11746 0.000000       47.11746 
1 1 1 40  14 7  o 100.9603 45.11739 2.133914       4.381790  0.000000       0.000000  2.133914       4.381790  ?        ?        100.9603 45.11739 0.000000       45.11739 
1 1 1 40  16 0  o 79.86235 36.23636 0.3246438      2.950806  0.000000       0.000000  0.3246438      2.950806  ?        ?        79.86235 36.23636 0.000000       36.23636 
1 1 1 40  16 1  o 167.1619 51.57759 11.28302       4.460866  0.000000       0.000000  11.28302       4.460866  ?        ?        167.1619 51.57759 0.000000       51.57759 
1 1 1 40  16 2  o 87.74880 39.16990 1.115368       3.292893  0.000000       0.000000  1.115368       3.292893  ?        ?        87.74880 39.16990 0.000000       39.16990 
1 1 1 41  1  0  o 92.97375 45.52428 -4.574433      6.696202  -6.218787      9.404380  -2.883472      9.536727  102.1369 50.73132 108.0897 53.20602 -5.952789      73.51563 
1 1 1 41  1  1  o 165.7017 62.26241 12.85293       6.582508  18.53151       8.742327  5.419144       10.00258  179.1134 70.56361 126.7575 60.44188 52.35598       92.91094 
1 1 1 41  1  2  f 128.1333 55.61146 6.068122       6.217348  4.863258       8.823578  7.256243       8.762059  125.1372 58.79390 132.2655 60.92019 -7.128281      84.66399 
1 1 1 41  1  3  o 150.7991 57.31673 9.460633       5.616531  1.677170       7.486287  19.48276       8.494933  113.8532 53.69602 189.6727 70.83641 -75.81953      88.88790 
1 1 1 41  1  4  o 297.8202 54.50552 31.33175       7.354568  0.000000       0.000000  31.33175       7.354568  ?        ?        297.8202 54.50552 0.000000       54.50552 
1 1 1 41  1  5  o 104.6252 44.78385 2.549414       3.925492  -0.7491083E-01 5.513800  5.246730       5.589952  100.2677 46.90645 124.4701 53.36420 -24.20238      71.04894 
1 1 1 41  1  6  o 103.9181 45.34995 2.261081       4.182280  2.200654       5.828680  2.325208       6.004514  110.4215 50.41990 111.5315 51.02174 -1.109940      71.73133 
1 1 1 41  1  7  o 91.64113 41.34248 0.5668823      3.776959  0.8168848      5.359121  0.3201546      5.323907  102.5576 47.38074 100.4154 46.67981 2.142174       66.51270 
1 1 1 41  1  8  o 103.1839 44.95985 2.291994       4.096434  1.631391       5.910890  2.902497       5.682332  107.7940 49.78595 112.2230 50.66100 -4.429070      71.02941 
1 1 1 41  1  9  o 146.6989 50.46132 7.975924       4.213021  4.521403       5.746168  11.99168       6.195381  119.1809 52.54799 162.3470 60.52081 -43.16611      80.15023 
1 1 1 41  1  10 o 249.4061 42.71365 19.64069       4.830972  23.21641       6.922273  16.24554       6.745219  237.6282 61.46485 185.2761 63.84305 52.35208       88.62202 
1 1 1 41  3  0  o 94.05395 45.62799 -3.092874      6.301197  0.9806779      8.821499  -7.336505      9.003774  113.4331 54.76976 98.57083 49.07093 14.86229       73.53695 
1 1 1 41  3  1  o 152.3098 60.76904 10.85193       6.560266  -2.002973      8.528575  29.47979       10.26652  106.8806 52.12667 218.6093 78.47589 -111.7288      94.21069 
1 1 1 41  3  2  o 119.3325 52.82952 4.376163       5.866096  -1.137634      8.079439  10.52319       8.530772  107.7173 52.11107 143.5340 63.61794 -35.81674      82.23628 
1 1 1 41  3  3  o 78.42366 38.72627 -6.691439      5.191426  0.000000       0.000000  -6.691439      5.191426  ?        ?        78.42366 38.72627 0.000000       38.72627 
1 1 1 41  3  4  o 134.4764 51.84765 6.680266       4.638685  0.000000       0.000000  6.680266       4.638685  ?        ?        134.4764 51.84765 0.000000       51.84765 
1 1 1 41  3  5  o 100.2840 46.99883 -0.9881095E-01 5.578488  0.000000       0.000000  -0.9881095E-01 5.578488  ?        ?        100.2840 46.99883 0.000000       46.99883 
1 1 1 41  3  6  o 95.54980 43.01863 0.9239722      4.065376  -0.5193223     5.663315  2.458383       5.839345  99.17482 46.75198 111.1961 50.65409 -12.02127      68.93173 
1 1 1 41  3  7  o 144.9111 50.66837 7.729872       4.256027  6.034483       6.103813  9.334126       5.937494  127.7263 55.26785 147.2612 58.10880 -19.53490      80.19456 
1 1 1 41  3  8  o 79.92760 37.87194 -1.911290      3.805676  -6.869799      5.141709  4.096314       5.659559  77.32185 38.24789 117.2888 51.90962 -39.96696      64.47875 
1 1 1 41  3  9  o 86.61157 40.52771 -0.8941035     4.120405  -2.355232      5.485900  0.9970275      6.241148  91.27802 43.85448 105.8651 49.64556 -14.58710      66.24120 
1 1 1 41  3  10 o 100.3057 47.54285 -0.1811237     6.006808  -0.1811237     6.006808  0.000000       0.000000  100.3057 47.54285 ?        ?        0.000000       47.54285 
1 1 1 41  3  11 o 141.3230 58.00040 9.316291       6.172224  9.316291       6.172224  0.000000       0.000000  141.3230 58.00040 ?        ?        0.000000       58.00040 
1 1 1 41  3  12 o 101.9665 48.15569 0.8284782      6.058913  0.8284782      6.058913  0.000000       0.000000  101.9665 48.15569 ?        ?        0.000000       48.15569 
1 1 1 41  5  0  o 80.39639 39.68311 -6.239949      5.430185  -3.091558      7.410875  -9.890013      7.979496  99.01969 48.35847 89.52486 44.81594 9.494827       65.93186 
1 1 1 41  5  1  o 105.4734 48.92620 1.411438       5.800389  3.914983       7.637181  -2.001189      8.916612  118.8455 55.46752 107.4339 52.58932 11.41161       76.43483 
1 1 1 41  5  2  o 98.93772 48.84337 -5.431035      8.238972  0.000000       0.000000  -5.431035      8.238972  ?        ?        98.93772 48.84337 0.000000       48.84337 
1 1 1 41  5  3  o 244.3786 45.48341 19.30814       5.036186  0.000000       0.000000  19.30814       5.036186  ?        ?        244.3786 45.48341 0.000000       45.48341 
1 1 1 41  5  4  o 96.09972 43.81102 0.7012451      4.378908  0.000000       0.000000  0.7012451      4.378908  ?        ?        96.09972 43.81102 0.000000       43.81102 
1 1 1 41  5  5  o 119.9304 48.52888 4.763113       4.247681  0.000000       0.000000  4.763113       4.247681  ?        ?        119.9304 48.52888 0.000000       48.52888 
1 1 1 41  5  6  o 121.5880 53.44176 4.913794       5.900567  0.000000       0.000000  4.913794       5.900567  ?        ?        121.5880 53.44176 0.000000       53.44176 
1 1 1 41  5  7  o 99.64842 43.76693 1.892104       3.951235  6.123663       5.589355  -2.335018      5.586425  127.5634 53.97784 92.21136 44.29000 35.35207       69.82271 
1 1 1 41  5  8  o 150.2268 52.35410 8.724710       4.542144  4.619501       5.959595  14.41439       7.016054  119.3252 53.01677 169.8598 64.18111 -50.53461      83.24657 
1 1 1 41  5  9  o 129.0661 55.33077 6.756838       6.008790  6.756838       6.008790  0.000000       0.000000  129.0661 55.33077 ?        ?        0.000000       55.33077 
1 1 1 41  5  10 o 187.4315 63.29141 16.66171       6.624118  16.66171       6.624118  0.000000       0.000000  187.4315 63.29141 ?        ?        0.000000       63.29141 
1 1 1 41  5  11 o 181.0874 63.62947 16.32283       6.715848  16.32283       6.715848  0.000000       0.000000  181.0874 63.62947 ?        ?        0.000000       63.62947 
1 1 1 41  5  12 o 141.3072 58.08958 9.895958       6.203930  9.895958       6.203930  0.000000       0.000000  141.3072 58.08958 ?        ?        0.000000       58.08958 
1 1 1 41  5  13 o 94.54811 45.80943 -1.446195      6.300116  -1.446195      6.300116  0.000000       0.000000  94.54811 45.80943 ?        ?        0.000000       45.80943 
1 1 1 41  7  0  o 176.6473 57.10254 13.16318       5.409142  20.97206       7.829178  6.031511       7.481991  198.3027 68.75613 123.4662 56.65480 74.83643       89.09081 
1 1 1 41  7  1  o 108.3101 48.70610 2.822898       5.193443  9.304400       6.983123  -5.199168      7.768818  138.8176 59.58350 96.00717 47.40265 42.81042       76.13938 
1 1 1 41  7  2  o 137.2547 51.71064 7.309510       4.546316  0.000000       0.000000  7.309510       4.546316  ?        ?        137.2547 51.71064 0.000000       51.71064 
1 1 1 41  7  3  o 125.3622 50.85705 5.746229       4.677903  0.000000       0.000000  5.746229       4.677903  ?        ?        125.3622 50.85705 0.000000       50.85705 
1 1 1 41  7  4  o 153.5236 52.73782 9.173022       4.600973  0.000000       0.000000  9.173022       4.600973  ?        ?        153.5236 52.73782 0.000000       52.73782 
1 1 1 41  7  5  o 151.6373 53.25402 9.068854       4.703948  0.000000       0.000000  9.068854       4.703948  ?        ?        151.6373 53.25402 0.000000       53.25402 
1 1 1 41  7  6  o 130.9858 51.56174 6.524429       4.664384  0.000000       0.000000  6.524429       4.664384  ?        ?        130.9858 51.56174 0.000000       51.56174 
1 1 1 41  7  7  o 155.9873 59.97062 11.38526       6.192923  0.000000       0.000000  11.38526       6.192923  ?        ?        155.9873 59.97062 0.000000       59.97062 
1 1 1 41  7  8  o 107.1478 49.46902 2.091558       5.827807  2.091558       5.827807  0.000000       0.000000  107.1478 49.46902 ?        ?        0.000000       49.46902 
1 1 1 41  7  9  o 199.1324 62.83686 18.16885       6.580338  18.16885       6.580338  0.000000       0.000000  199.1324 62.83686 ?        ?        0.000000       62.83686 
1 1 1 41  7  10 o 96.97741 46.43214 -0.7951844     6.033023  -0.7951844     6.033023  0.000000       0.000000  96.97741 46.43214 ?        ?        0.000000       46.43214 
1 1 1 41  7  11 o 127.0242 54.39854 7.057076       5.797136  7.057076       5.797136  0.000000       0.000000  127.0242 54.39854 ?        ?        0.000000       54.39854 
1 1 1 41  7  12 o 133.9545 56.78207 8.941737       6.202634  8.941737       6.202634  0.000000       0.000000  133.9545 56.78207 ?        ?        0.000000       56.78207 
1 1 1 41  9  0  o 122.9052 55.65453 6.414983       6.919108  0.000000       0.000000  6.414983       6.919108  ?        ?        122.9052 55.65453 0.000000       55.65453 
1 1 1 41  9  1  o 118.9598 49.46762 5.141344       4.570366  0.000000       0.000000  5.141344       4.570366  ?        ?        118.9598 49.46762 0.000000       49.46762 
1 1 1 41  9  2  o 98.83346 44.82250 1.558545       4.507851  0.000000       0.000000  1.558545       4.507851  ?        ?        98.83346 44.82250 0.000000       44.82250 
1 1 1 41  9  3  o 137.9955 45.39054 6.687722       3.411106  0.000000       0.000000  6.687722       3.411106  ?        ?        137.9955 45.39054 0.000000       45.39054 
1 1 1 41  9  4  o 126.1744 51.17033 6.098464       4.734104  0.000000       0.000000  6.098464       4.734104  ?        ?        126.1744 51.17033 0.000000       51.17033 
1 1 1 41  9  5  f 134.7804 50.85259 7.066066       4.400507  0.000000       0.000000  7.066066       4.400507  ?        ?        134.7804 50.85259 0.000000       50.85259 
1 1 1 41  9  6  o 111.6216 48.78633 3.775225       4.856624  0.000000       0.000000  3.775225       4.856624  ?        ?        111.6216 48.78633 0.000000       48.78633 
1 1 1 41  9  7  o 180.7664 66.29700 17.55945       7.380383  0.000000       0.000000  17.55945       7.380383  ?        ?        180.7664 66.29700 0.000000       66.29700 
1 1 1 41  9  9  o 152.8167 59.89928 11.78062       6.270298  11.78062       6.270298  0.000000       0.000000  152.8167 59.89928 ?        ?        0.000000       59.89928 
1 1 1 41  9  10 o 121.3975 54.24732 6.248514       6.333646  6.248514       6.333646  0.000000       0.000000  121.3975 54.24732 ?        ?        0.000000       54.24732 
1 1 1 41  9  11 o 112.5080 52.20584 4.316290       6.611697  4.316290       6.611697  0.000000       0.000000  112.5080 52.20584 ?        ?        0.000000       52.20584 
1 1 1 41  11 0  o 100.5958 45.76410 2.238701       4.746184  -4.509513      6.573063  9.589775       6.860390  88.55843 43.70224 133.4731 58.16962 -44.91472      72.75706 
1 1 1 41  11 1  o 113.8027 45.76978 4.568171       3.753572  0.000000       0.000000  4.568171       3.753572  ?        ?        113.8027 45.76978 0.000000       45.76978 
1 1 1 41  11 2  o 104.5032 43.37133 3.328247       3.503502  0.000000       0.000000  3.328247       3.503502  ?        ?        104.5032 43.37133 0.000000       43.37133 
1 1 1 41  11 3  o 89.72617 40.01012 1.168758       3.425912  0.000000       0.000000  1.168758       3.425912  ?        ?        89.72617 40.01012 0.000000       40.01012 
1 1 1 41  11 4  o 115.3877 45.60979 4.645687       3.663774  0.000000       0.000000  4.645687       3.663774  ?        ?        115.3877 45.60979 0.000000       45.60979 
1 1 1 41  11 5  o 112.7548 48.32296 4.325522       4.580536  0.000000       0.000000  4.325522       4.580536  ?        ?        112.7548 48.32296 0.000000       48.32296 
1 1 1 41  11 6  o 146.8964 61.19897 11.92033       7.013819  0.000000       0.000000  11.92033       7.013819  ?        ?        146.8964 61.19897 0.000000       61.19897 
1 1 1 41  11 7  o 154.8621 63.88351 14.33710       7.535611  0.000000       0.000000  14.33710       7.535611  ?        ?        154.8621 63.88351 0.000000       63.88351 
1 1 1 41  11 8  o 82.61075 41.12878 -7.083829      6.330151  0.000000       0.000000  -7.083829      6.330151  ?        ?        82.61075 41.12878 0.000000       41.12878 
1 1 1 41  13 0  o 105.9549 45.83412 3.860087       4.195500  3.180737       6.741467  4.289536       5.359983  106.0143 50.28293 108.7418 49.13581 -2.727486      70.30434 
1 1 1 41  13 1  o 100.7569 42.74132 3.104628       3.518510  0.000000       0.000000  3.104628       3.518510  ?        ?        100.7569 42.74132 0.000000       42.74132 
1 1 1 41  13 2  o 141.5753 47.77262 7.855179       3.773929  0.000000       0.000000  7.855179       3.773929  ?        ?        141.5753 47.77262 0.000000       47.77262 
1 1 1 41  13 3  o 188.3857 44.90514 12.40671       3.923081  0.000000       0.000000  12.40671       3.923081  ?        ?        188.3857 44.90514 0.000000       44.90514 
1 1 1 41  13 4  o 198.7342 52.23216 15.51342       4.946986  0.000000       0.000000  15.51342       4.946986  ?        ?        198.7342 52.23216 0.000000       52.23216 
1 1 1 41  13 5  o 119.1703 49.99995 5.796965       4.730613  0.000000       0.000000  5.796965       4.730613  ?        ?        119.1703 49.99995 0.000000       49.99995 
1 1 1 41  13 6  f 70.77621 35.04876 -5.656286      4.361815  0.000000       0.000000  -5.656286      4.361815  ?        ?        70.77621 35.04876 0.000000       35.04876 
1 1 1 42  0  0  o 102.4897 66.18733 1.934007       7.445648  1.934007       7.445648  1.934007       7.445648  102.4897 66.18733 102.4897 66.18733 0.000000       0.000000 
1 1 1 42  0  1  o 109.3279 67.55813 3.834721       6.846796  3.834721       6.846796  3.834721       6.846796  109.3279 67.55813 109.3279 67.55813 0.000000       0.000000 
1 1 1 42  0  2  o 149.7186 77.39070 9.640310       7.010916  9.640310       7.010916  9.640310       7.010916  149.7186 77.39070 149.7186 77.39070 0.000000       0.000000 
1 1 1 42  0  3  o 132.0822 73.93793 7.425684       6.894011  7.425684       6.894011  7.425684       6.894011  132.0822 73.93793 132.0822 73.93793 0.000000       0.000000 
1 1 1 42  0  5  o 103.6392 63.46804 3.549346       5.920141  3.549346       5.920141  3.549346       5.920141  103.6392 63.46804 103.6392 63.46804 0.000000       0.000000 
1 1 1 42  0  6  o 321.5007 50.49638 28.25803       7.074091  28.25803       7.074091  28.25803       7.074091  321.5007 50.49638 321.5007 50.49638 0.000000       0.000000 
1 1 1 42  0  7  o 178.5089 75.54371 12.51486       6.418895  12.51486       6.418895  12.51486       6.418895  178.5089 75.54371 178.5089 75.54371 0.000000       0.000000 
1 1 1 42  0  8  o 114.9488 67.89271 5.368610       6.300414  5.368610       6.300414  5.368610       6.300414  114.9488 67.89271 114.9488 67.89271 0.000000       0.000000 
1 1 1 42  2  0  o 118.8804 52.12828 5.819522       5.584917  26.61415       8.251518  -11.75981      7.586814  217.2865 70.55450 82.04964 41.41008 135.2368       81.80912 
1 1 1 42  2  1  o 139.5916 54.27902 8.764137       5.117430  11.19501       7.060069  6.073128       7.428236  141.5278 60.30564 119.6007 55.43990 21.92715       81.91674 
1 1 1 42  2  2  o 102.6363 46.63657 2.339703       4.910153  4.060642       6.901882  0.5760999      6.986910  113.3749 52.85241 103.1657 49.54615 10.20926       72.44444 
1 1 1 42  2  3  o 130.1989 52.00832 7.046444       4.810546  2.923900       6.582628  11.77170       7.047408  109.4934 51.23160 146.2175 61.16690 -36.72412      79.78764 
1 1 1 42  2  4  o 146.1157 52.31755 8.808281       4.560174  0.000000       0.000000  8.808281       4.560174  ?        ?        146.1157 52.31755 0.000000       52.31755 
1 1 1 42  2  5  o 99.85778 46.85073 0.9390607      5.569520  0.000000       0.000000  0.9390607      5.569520  ?        ?        99.85778 46.85073 0.000000       46.85073 
1 1 1 42  2  6  o 95.46404 42.96778 1.534885       4.052395  3.683116       5.461362  -1.096909      6.044862  110.4200 49.77327 95.35719 45.86889 15.06283       67.68555 
1 1 1 42  2  7  o 195.3747 51.99030 14.58803       4.862093  20.19620       6.930520  9.152795       6.822823  202.6117 64.54622 133.7961 58.16293 68.81558       86.88579 
1 1 1 42  2  8  o 106.3710 50.45150 2.066290       6.786330  2.066290       6.786330  0.000000       0.000000  106.3710 50.45150 ?        ?        0.000000       50.45150 
1 1 1 42  2  9  o 95.30591 45.50621 -0.2073722     5.710049  -0.2073722     5.710049  0.000000       0.000000  95.30591 45.50621 ?        ?        0.000000       45.50621 
1 1 1 42  4  0  o 76.63649 37.89009 -5.500877      5.023403  -6.016648      6.901503  -4.919739      7.325796  86.94131 43.22968 90.85706 45.06834 -3.915749      62.44966 
1 1 1 42  4  1  o 107.7645 48.50238 3.531550       5.163044  14.35494       7.369980  -6.899525      7.235179  154.3177 63.36135 87.50957 43.63238 66.80812       76.93144 
1 1 1 42  4  2  o 75.73606 37.53679 -6.205906      5.042250  -9.013081      7.098614  -3.347206      7.163465  83.74083 41.97199 94.13705 46.29449 -10.39622      62.48862 
1 1 1 42  4  3  o 184.3071 50.78327 12.90333       4.543754  0.000000       0.000000  12.90333       4.543754  ?        ?        184.3071 50.78327 0.000000       50.78327 
1 1 1 42  4  4  o 98.88654 44.32805 2.060723       4.264930  0.000000       0.000000  2.060723       4.264930  ?        ?        98.88654 44.32805 0.000000       44.32805 
1 1 1 42  4  5  o 104.6370 46.09961 3.034919       4.413975  0.000000       0.000000  3.034919       4.413975  ?        ?        104.6370 46.09961 0.000000       46.09961 
1 1 1 42  4  6  o 122.2430 49.07272 5.780256       4.306105  9.066588       6.258434  2.825803       5.934014  135.2542 57.16835 107.1901 49.63908 28.06403       75.71168 
1 1 1 42  4  7  o 109.9778 50.21469 3.695006       5.780382  3.695006       5.780382  0.000000       0.000000  109.9778 50.21469 ?        ?        0.000000       50.21469 
1 1 1 42  4  8  o 84.29842 41.36512 -4.108205      5.620615  -4.108205      5.620615  0.000000       0.000000  84.29842 41.36512 ?        ?        0.000000       41.36512 
1 1 1 42  4  9  o 153.4124 60.54469 12.88050       6.446578  12.88050       6.446578  0.000000       0.000000  153.4124 60.54469 ?        ?        0.000000       60.54469 
1 1 1 42  4  10 o 83.98746 41.05953 -3.281808      5.383743  -3.281808      5.383743  0.000000       0.000000  83.98746 41.05953 ?        ?        0.000000       41.05953 
1 1 1 42  6  0  o 132.6302 54.28477 8.510828       5.388395  13.36802       7.503296  3.338288       7.743042  144.4163 61.86850 108.7534 52.21072 35.66288       80.95474 
1 1 1 42  6  1  o 89.89546 42.80753 -0.5662615     4.982196  2.524971       7.138712  -3.501784      6.956595  106.5689 50.88333 91.73638 45.21155 14.83250       68.06760 
1 1 1 42  6  2  o 123.2307 56.17657 7.494055       7.198307  0.000000       0.000000  7.494055       7.198307  ?        ?        123.2307 56.17657 0.000000       56.17657 
1 1 1 42  6  3  o 111.5977 48.46404 4.388644       4.727571  0.000000       0.000000  4.388644       4.727571  ?        ?        111.5977 48.46404 0.000000       48.46404 
1 1 1 42  6  4  o 114.8960 48.29008 4.886714       4.425008  0.000000       0.000000  4.886714       4.425008  ?        ?        114.8960 48.29008 0.000000       48.29008 
1 1 1 42  6  5  o 104.6679 49.84345 1.739596       6.755551  0.000000       0.000000  1.739596       6.755551  ?        ?        104.6679 49.84345 0.000000       49.84345 
1 1 1 42  6  6  o 89.60587 44.10091 -3.941736      6.543742  0.000000       0.000000  -3.941736      6.543742  ?        ?        89.60587 44.10091 0.000000       44.10091 
1 1 1 42  6  7  o 97.08617 46.43331 0.1217004      5.996618  0.1217004      5.996618  0.000000       0.000000  97.08617 46.43331 ?        ?        0.000000       46.43331 
1 1 1 42  6  8  o 84.90742 41.74284 -4.060642      5.809549  -4.060642      5.809549  0.000000       0.000000  84.90742 41.74284 ?        ?        0.000000       41.74284 
1 1 1 42  6  9  o 97.13333 45.89719 1.006837       5.517090  1.006837       5.517090  0.000000       0.000000  97.13333 45.89719 ?        ?        0.000000       45.89719 
1 1 1 42  6  10 o 96.96008 46.39188 0.6685494      5.999414  0.6685494      5.999414  0.000000       0.000000  96.96008 46.39188 ?        ?        0.000000       46.39188 
1 1 1 42  6  11 o 93.72979 44.94514 0.2233948      5.700630  0.2233948      5.700630  0.000000       0.000000  93.72979 44.94514 ?        ?        0.000000       44.94514 
1 1 1 42  8  0  o 118.4990 50.98033 6.300168       5.133421  4.756243       7.149727  7.942926       7.375022  110.3858 52.18648 120.3743 55.60152 -9.988480      76.25587 
1 1 1 42  8  1  o 101.9999 46.86332 2.771523       5.141295  4.830559       6.801168  0.2590369E-01  7.853652  111.4324 52.11858 100.5324 49.24164 10.89995       71.70136 
1 1 1 42  8  2  o 168.0535 52.83050 11.93452       4.655653  0.000000       0.000000  11.93452       4.655653  ?        ?        168.0535 52.83050 0.000000       52.83050 
1 1 1 42  8  3  o 100.7128 45.39750 2.638105       4.543278  0.000000       0.000000  2.638105       4.543278  ?        ?        100.7128 45.39750 0.000000       45.39750 
1 1 1 42  8  4  o 94.61262 46.59687 -2.662010      7.347123  0.000000       0.000000  -2.662010      7.347123  ?        ?        94.61262 46.59687 0.000000       46.59687 
1 1 1 42  8  5  o 95.87296 47.01478 -1.834423      7.224286  0.000000       0.000000  -1.834423      7.224286  ?        ?        95.87296 47.01478 0.000000       47.01478 
1 1 1 42  8  6  o 129.2508 57.65558 9.417361       7.121013  0.000000       0.000000  9.417361       7.121013  ?        ?        129.2508 57.65558 0.000000       57.65558 
1 1 1 42  8  7  o 92.05137 45.38852 -3.153984      7.039025  0.000000       0.000000  -3.153984      7.039025  ?        ?        92.05137 45.38852 0.000000       45.38852 
1 1 1 42  8  8  o 235.0157 67.39831 28.78716       7.837557  28.78716       7.837557  0.000000       0.000000  235.0157 67.39831 ?        ?        0.000000       67.39831 
1 1 1 42  8  9  o 121.5369 54.03202 7.494055       6.199059  7.494055       6.199059  0.000000       0.000000  121.5369 54.03202 ?        ?        0.000000       54.03202 
1 1 1 42  8  10 o 89.43230 43.28078 -0.9937575     5.585268  -0.9937575     5.585268  0.000000       0.000000  89.43230 43.28078 ?        ?        0.000000       43.28078 
1 1 1 42  10 0  o 88.83865 42.37247 0.4231387E-01  4.922861  9.958384       7.452590  -7.633770      6.557032  124.0295 56.77689 79.72150 40.00978 44.30798       69.45789 
1 1 1 42  10 1  o 126.1405 56.69931 9.741380       7.028826  0.000000       0.000000  9.741380       7.028826  ?        ?        126.1405 56.69931 0.000000       56.69931 
1 1 1 42  10 2  o 131.0146 59.10355 11.54578       7.718631  0.000000       0.000000  11.54578       7.718631  ?        ?        131.0146 59.10355 0.000000       59.10355 
1 1 1 42  10 3  f 139.6916 60.08300 12.56837       7.127031  0.000000       0.000000  12.56837       7.127031  ?        ?        139.6916 60.08300 0.000000       60.08300 
1 1 1 42  10 4  o 128.8279 58.29379 10.52913       7.574894  0.000000       0.000000  10.52913       7.574894  ?        ?        128.8279 58.29379 0.000000       58.29379 
1 1 1 42  10 5  o 85.88640 42.91360 -6.287158      7.160141  0.000000       0.000000  -6.287158      7.160141  ?        ?        85.88640 42.91360 0.000000       42.91360 
1 1 1 42  10 6  o 121.7346 55.80804 8.370988       7.236777  0.000000       0.000000  8.370988       7.236777  ?        ?        121.7346 55.80804 0.000000       55.80804 
1 1 1 42  10 7  o 111.7845 52.28059 5.460762       6.842002  0.000000       0.000000  5.460762       6.842002  ?        ?        111.7845 52.28059 0.000000       52.28059 
1 1 1 42  10 8  o 78.69563 39.50147 -8.055886      6.404782  0.000000       0.000000  -8.055886      6.404782  ?        ?        78.69563 39.50147 0.000000       39.50147 
1 1 1 42  12 0  o 157.2533 55.77713 12.92586       5.171574  13.49584       7.802133  12.47919       6.906851  130.5397 59.10658 132.8687 58.12337 -2.328949      82.89701 
1 1 1 42  12 1  o 108.1786 51.25152 5.558859       6.965312  0.000000       0.000000  5.558859       6.965312  ?        ?        108.1786 51.25152 0.000000       51.25152 
1 1 1 42  12 2  o 84.57307 41.85084 -3.489893      6.177926  0.000000       0.000000  -3.489893      6.177926  ?        ?        84.57307 41.85084 0.000000       41.85084 
1 1 1 42  12 3  o 107.2791 51.08427 4.857313       7.094145  0.000000       0.000000  4.857313       7.094145  ?        ?        107.2791 51.08427 0.000000       51.08427 
1 1 1 42  12 4  o 81.24905 40.69152 -6.634958      6.612875  0.000000       0.000000  -6.634958      6.612875  ?        ?        81.24905 40.69152 0.000000       40.69152 
1 1 1 43  1  0  o 89.46220 42.94499 0.6371415E-01  5.235701  -3.692033      7.176672  4.337099       7.655277  88.19442 43.88986 105.6488 51.01368 -17.45438      67.29573 
1 1 1 43  1  1  o 83.43040 40.57698 -1.909875      5.068341  -3.394768      7.021113  -0.2941439     7.323905  88.75765 44.04293 95.69431 47.00990 -6.936653      64.41824 
1 1 1 43  1  2  o 76.64592 37.66935 -3.776838      4.719298  -8.623663      6.679992  1.052913       6.668215  79.00109 39.74237 97.72929 47.29482 -18.72820      61.77585 
1 1 1 43  1  3  o 77.12258 37.92229 -3.885210      4.801602  -0.4206302E-02 6.950328  -7.428657      6.641196  96.26508 46.97307 80.85999 40.53785 15.40510       62.04665 
1 1 1 43  1  4  o 85.36216 42.51190 -5.225922      6.784938  0.000000       0.000000  -5.225922      6.784938  ?        ?        85.36216 42.51190 0.000000       42.51190 
1 1 1 43  3  0  o 95.78712 45.04655 2.096809       5.200346  7.568371       7.701478  -2.488704      7.050378  113.4333 53.78493 89.56682 44.39075 23.86647       69.73779 
1 1 1 43  3  1  o 88.90421 42.53201 0.6845311E-01  5.039022  -5.784781      7.076862  6.087991       7.176693  84.56634 42.31475 110.8696 52.37543 -26.30328      67.33293 
1 1 1 43  3  2  o 99.39178 48.14968 1.656956       6.954637  1.656956       6.954637  0.000000       0.000000  99.39178 48.14968 ?        ?        0.000000       48.14968 
1 1 1 43  3  3  o 92.45400 45.55058 -1.729191      7.042499  -1.729191      7.042499  0.000000       0.000000  92.45400 45.55058 ?        ?        0.000000       45.55058 
1 1 1 43  3  4  o 93.61005 45.60531 -0.4631391     6.478280  0.000000       0.000000  -0.4631391     6.478280  ?        ?        93.61005 45.60531 0.000000       45.60531 
1 1 1 43  3  5  o 110.2312 51.24849 5.264567       6.419858  0.000000       0.000000  5.264567       6.419858  ?        ?        110.2312 51.24849 0.000000       51.24849 
1 1 1 43  3  6  o 82.54049 40.74242 -3.858502      5.725206  -3.858502      5.725206  0.000000       0.000000  82.54049 40.74242 ?        ?        0.000000       40.74242 
1 1 1 43  5  0  o 90.22104 43.21748 0.6296824      5.240253  -4.824614      7.384560  6.162307       7.437396  86.03238 43.07429 108.6279 51.88600 -22.59555      67.43553 
1 1 1 43  5  1  o 99.27544 48.28575 2.093341       7.179404  0.000000       0.000000  2.093341       7.179404  ?        ?        99.27544 48.28575 0.000000       48.28575 
1 1 1 43  5  2  o 97.90429 48.07381 0.8353152      7.631951  0.000000       0.000000  0.8353152      7.631951  ?        ?        97.90429 48.07381 0.000000       48.07381 
1 1 1 43  5  3  o 105.1234 50.34760 4.024971       7.105366  0.000000       0.000000  4.024971       7.105366  ?        ?        105.1234 50.34760 0.000000       50.34760 
1 1 1 43  5  4  o 114.8043 53.84250 7.312724       7.343816  0.000000       0.000000  7.312724       7.343816  ?        ?        114.8043 53.84250 0.000000       53.84250 
1 1 1 43  5  5  o 95.70520 46.69742 0.2875446      6.866436  0.000000       0.000000  0.2875446      6.866436  ?        ?        95.70520 46.69742 0.000000       46.69742 
1 1 1 43  5  6  o 86.30726 42.65836 -3.195601      6.350194  0.000000       0.000000  -3.195601      6.350194  ?        ?        86.30726 42.65836 0.000000       42.65836 
1 1 1 43  5  7  o 94.02713 44.75547 1.260404       5.433443  1.260404       5.433443  0.000000       0.000000  94.02713 44.75547 ?        ?        0.000000       44.75547 
1 1 1 43  7  0  o 92.34724 45.54552 -0.8914983E-01 7.102604  0.000000       0.000000  -0.8914983E-01 7.102604  ?        ?        92.34724 45.54552 0.000000       45.54552 
1 1 1 43  7  1  o 99.35072 48.40564 2.696195       7.302119  0.000000       0.000000  2.696195       7.302119  ?        ?        99.35072 48.40564 0.000000       48.40564 
1 1 1 43  7  2  o 125.6736 57.35793 11.69144       7.532293  0.000000       0.000000  11.69144       7.532293  ?        ?        125.6736 57.35793 0.000000       57.35793 
1 1 1 43  7  3  o 106.5518 51.29141 5.187277       7.593232  0.000000       0.000000  5.187277       7.593232  ?        ?        106.5518 51.29141 0.000000       51.29141 
1 1 1 43  7  4  o 95.57548 47.01384 0.2645363      7.403596  0.000000       0.000000  0.2645363      7.403596  ?        ?        95.57548 47.01384 0.000000       47.01384 
1 1 1 43  7  5  o 88.55943 43.85734 -2.534186      6.833006  0.000000       0.000000  -2.534186      6.833006  ?        ?        88.55943 43.85734 0.000000       43.85734 
1 1 1 43  7  6  o 85.65817 42.51515 -3.469085      6.557839  0.000000       0.000000  -3.469085      6.557839  ?        ?        85.65817 42.51515 0.000000       42.51515 
1 1 1 43  7  7  o 148.6638 62.11975 16.36445       7.257034  0.000000       0.000000  16.36445       7.257034  ?        ?        148.6638 62.11975 0.000000       62.11975 
1 1 1 43  7  8  f 82.13956 40.57787 -3.142093      5.720385  -3.142093      5.720385  0.000000       0.000000  82.13956 40.57787 ?        ?        0.000000       40.57787 
1 1 1 43  9  0  o 126.6225 56.43694 12.26516       6.808173  0.000000       0.000000  12.26516       6.808173  ?        ?        126.6225 56.43694 0.000000       56.43694 
1 1 1 43  9  1  o 105.2617 50.23493 5.915577       6.940452  0.000000       0.000000  5.915577       6.940452  ?        ?        105.2617 50.23493 0.000000       50.23493 
1 1 1 43  9  2  o 83.10201 41.77692 -5.728300      7.312989  0.000000       0.000000  -5.728300      7.312989  ?        ?        83.10201 41.77692 0.000000       41.77692 
1 1 1 43  9  3  o ?        ?        -14.89596      7.299162  0.000000       0.000000  -14.89596      7.299162  ?        ?        ?        ?        0.000000       ?        
1 1 1 43  9  4  o 97.00101 47.57947 1.852259       7.413051  0.000000       0.000000  1.852259       7.413051  ?        ?        97.00101 47.57947 0.000000       47.57947 
1 1 1 43  9  5  o 111.9827 53.31870 8.165874       7.724252  0.000000       0.000000  8.165874       7.724252  ?        ?        111.9827 53.31870 0.000000       53.31870 
1 1 1 43  11 0  o 100.2596 48.07928 5.368609       6.525630  0.000000       0.000000  5.368609       6.525630  ?        ?        100.2596 48.07928 0.000000       48.07928 
1 1 1 44  8  2  o 89.54007 44.26696 1.824317       6.852712  0.000000       0.000000  1.824317       6.852712  ?        ?        89.54007 44.26696 0.000000       44.26696 
# 
#END OF REFLECTIONS
